LIST OF STRUCTURAL ATTRIBUTES (SA) AND THEIR CORRELATION WEIGHTS


The total number of SMILES: in train set NsmsTRN=  67  in calibration set NsmsCLB=  39 Nact=819 NactSFk=819

Hydrogen suppressed graph (HSG) is used in the model
SMILES is used  in the model
ID is number of SA in the completed list of SAs
N1 is the number of SMILES in training set with SA
N2 is the number of SMILES in invisible training set with SA
N3 is the number of SMILES in calibration set with SA

The number of SMILES in training set is 67
The number of SMILES in calibration set is 39

TRN++ : how many times attribute is placed in structures
of the training set where endpoint higher than middle.
TRN-- : how many times attribute is placed in structures
of the training set where endpoint lower than middle.

iTRN++, iTRN--, CLB++, and CLB-- are the analogical data
for invisible training set and calibration set.

 SAk        : CW(SAk)    :        ID  :        N1  :        N2  :        N3  : DEFECT[SAk]: TRN++      : TRN--      : iTRN++     : iTRN--     : CALIB++    : CALIB--    :
#...........:    -1.14819:           1:           2:           1:           1:      0.0014:           1:           1:           0:           1:           1:           0:
$00000000000:    -1.83113:           2:           9:           4:           4:      0.0024:           8:           1:           3:           1:           3:           1:
$00000000001:     0.02619:           3:           5:           2:           2:      0.0033:           5:           0:           2:           0:           2:           0:
$00000000010:     0.06188:           4:           7:           3:           6:      0.0038:           7:           0:           3:           0:           6:           0:
$00000000100:     0.45148:           5:           5:          11:           4:      0.0031:           5:           0:           8:           3:           4:           0:
$00000000110:     0.54623:           6:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
$00000001100:         0.0:           7:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
$00000100000:         0.0:           8:           0:           0:           1:      0.0000:           0:           0:           0:           0:           0:           1:
$00001000000:     0.16653:           9:           8:           8:          11:      0.0086:           4:           4:           4:           4:           6:           5:
$00010000000:     4.40795:          10:           2:           1:           0:      1.0000:           2:           0:           1:           0:           0:           0:
$00100000000:         0.0:          11:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
$01000000010:         0.0:          12:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
$01010000000:         0.0:          13:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
$10000000000:     1.36523:          14:          10:          12:           2:      0.0082:          10:           0:          12:           0:           2:           0:
$10000000001:         0.0:          15:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
$10000000010:     0.42078:          16:           1:           3:           2:      0.0121:           1:           0:           3:           0:           2:           0:
$10000000100:     1.46242:          17:           2:           2:           3:      0.0094:           2:           0:           2:           0:           3:           0:
$10000000110:     2.76169:          18:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
$10000100000:     0.06388:          19:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
$10001000000:     0.13923:          20:           5:           6:           2:      0.0033:           3:           2:           4:           2:           1:           1:
$10001000010:     0.36805:          21:           2:           0:           0:      1.0000:           2:           0:           0:           0:           0:           0:
$10010000000:     0.92235:          22:           1:           3:           1:      0.0054:           1:           0:           3:           0:           1:           0:
$10011000000:     0.24591:          23:           4:           4:           0:      1.0000:           3:           1:           4:           0:           0:           0:
$11010000000:     0.37742:          24:           2:           0:           0:      1.0000:           1:           1:           0:           0:           0:           0:
(...(.......:     0.12192:          25:           6:          13:           1:      0.0091:           6:           0:          11:           2:           1:           0:
(...........:     0.87074:          26:          38:          44:          22:      0.0001:          34:           4:          37:           7:          19:           3:
(...C...#...:     0.32909:          27:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
(...C...(...:     0.01891:          28:           5:          21:           8:      0.0100:           4:           1:          16:           5:           7:           1:
(...F...(...:         0.0:          29:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
(...Br..(...:     2.04198:          30:           4:           1:           4:      0.0054:           4:           0:           1:           0:           4:           0:
(...I...(...:    -1.77561:          31:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
(...Cl..(...:     0.16763:          32:           4:          13:           5:      0.0076:           4:           0:          12:           1:           5:           0:
+...........:     0.33035:          33:           3:           2:           0:      1.0000:           2:           1:           2:           0:           0:           0:
+...[...(...:     0.31891:          34:           3:           2:           0:      1.0000:           2:           1:           2:           0:           0:           0:
-...........:    -0.55414:          35:           3:           2:           0:      1.0000:           2:           1:           2:           0:           0:           0:
1...(.......:     0.29790:          36:          16:          13:           8:      0.0014:          16:           0:          13:           0:           8:           0:
1...........:     0.50279:          37:          28:          31:          12:      0.0028:          27:           1:          30:           1:          11:           1:
1...C...(...:    -1.95856:          38:           1:           4:           1:      0.0054:           1:           0:           4:           0:           1:           0:
1...Cl..(...:         0.0:          39:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
2...(.......:    -0.11965:          40:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
2...........:    -0.63929:          41:           5:           7:           2:      0.0033:           5:           0:           6:           1:           2:           0:
2...1.......:         0.0:          42:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
2...C...(...:    -0.18261:          43:           2:           2:           1:      0.0014:           2:           0:           2:           0:           1:           0:
2...C...1...:    -0.18917:          44:           1:           1:           1:      0.0054:           1:           0:           1:           0:           1:           0:
2...[...(...:         0.0:          45:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
3...........:     0.08043:          46:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
3...2.......:    -0.62174:          47:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
=...(.......:     0.40077:          48:          13:          12:           8:      0.0005:          11:           2:          10:           2:           7:           1:
=...........:     0.29360:          49:          30:          33:          10:      0.0048:          26:           4:          31:           2:           9:           1:
=...1.......:     0.32636:          50:          21:          25:           7:      0.0048:          20:           1:          25:           0:           7:           0:
=...2.......:    -0.91568:          51:           3:           5:           1:      0.0048:           3:           0:           5:           0:           1:           0:
=...3.......:    -0.10253:          52:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
=...C...(...:     0.22559:          53:          12:          12:           6:      0.0014:          12:           0:          12:           0:           6:           0:
=...C...1...:     0.35643:          54:          20:          23:           7:      0.0044:          19:           1:          23:           0:           7:           0:
=...C...2...:    -0.59780:          55:           3:           4:           1:      0.0048:           3:           0:           4:           0:           1:           0:
=...C...3...:    -1.07398:          56:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
=...C...=...:    -0.49942:          57:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
=...N...(...:    -0.71986:          58:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
=...N...2...:    -0.51339:          59:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
=...O...(...:     0.25778:          60:           6:           7:           2:      0.0048:           4:           2:           5:           2:           1:           1:
=...S...(...:     2.51991:          61:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
@...........:         0.0:          62:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
@@..........:         0.0:          63:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
C...#.......:    -0.90791:          64:           2:           1:           1:      0.0014:           1:           1:           0:           1:           1:           0:
C...#...C...:         0.0:          65:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
C...(...(...:     0.22093:          66:           1:           4:           0:      1.0000:           1:           0:           3:           1:           0:           0:
C...(.......:    -0.18253:          67:          33:          40:          22:      0.0013:          30:           3:          33:           7:          19:           3:
C...(...1...:    -1.45078:          68:           9:           5:           4:      0.0024:           9:           0:           5:           0:           4:           0:
C...(...2...:     0.82900:          69:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
C...(...=...:     0.04204:          70:          10:          11:           8:      0.0031:           9:           1:           9:           2:           7:           1:
C...(...C...:     0.19321:          71:          20:          29:          16:      0.0031:          18:           2:          24:           5:          14:           2:
C...........:    -0.02062:          72:          64:          64:          39:      0.0004:          55:           9:          52:          12:          31:           8:
C...1...(...:     0.93549:          73:          16:          13:           8:      0.0014:          16:           0:          13:           0:           8:           0:
C...1.......:     1.97518:          74:          28:          31:          12:      0.0028:          27:           1:          30:           1:          11:           1:
C...1...2...:         0.0:          75:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
C...1...=...:     0.18230:          76:          21:          25:           7:      0.0048:          20:           1:          25:           0:           7:           0:
C...1...C...:     0.19485:          77:           7:           6:           5:      0.0020:           7:           0:           5:           1:           4:           1:
C...2...(...:    -0.28088:          78:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
C...2.......:     0.00543:          79:           4:           5:           2:      0.0014:           4:           0:           5:           0:           2:           0:
C...2...=...:    -1.45076:          80:           3:           5:           1:      0.0048:           3:           0:           5:           0:           1:           0:
C...2...C...:     0.16816:          81:           2:           3:           2:      0.0054:           2:           0:           3:           0:           2:           0:
C...3.......:     0.02101:          82:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
C...3...2...:    -0.34155:          83:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
C...3...=...:    -0.94513:          84:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
C...=...(...:     0.55068:          85:           6:           6:           6:      0.0054:           6:           0:           6:           0:           6:           0:
C...=.......:     0.43590:          86:          24:          28:           8:      0.0048:          22:           2:          28:           0:           8:           0:
C...=...1...:     2.08107:          87:          21:          24:           7:      0.0048:          20:           1:          24:           0:           7:           0:
C...=...2...:    -1.40662:          88:           3:           5:           1:      0.0048:           3:           0:           5:           0:           1:           0:
C...=...3...:    -0.04321:          89:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
C...=...C...:     0.26286:          90:          20:          24:           5:      0.0068:          18:           2:          24:           0:           5:           0:
C...@.......:         0.0:          91:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
C...@@......:         0.0:          92:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
C...C...#...:    -5.65805:          93:           1:           1:           1:      0.0054:           0:           1:           0:           1:           1:           0:
C...C...(...:    -0.96163:          94:          13:          19:          12:      0.0045:          11:           2:          13:           6:           9:           3:
C...C.......:     0.30865:          95:          52:          52:          32:      0.0005:          45:           7:          42:          10:          24:           8:
C...C...1...:     1.11078:          96:          16:          18:           8:      0.0014:          15:           1:          17:           1:           7:           1:
C...C...2...:    -0.07655:          97:           2:           3:           1:      0.0014:           2:           0:           3:           0:           1:           0:
C...C...3...:    -0.71958:          98:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
C...C...=...:     0.17142:          99:          23:          24:           7:      0.0055:          21:           2:          24:           0:           7:           0:
C...C...C...:    -0.03094:         100:          21:          21:          17:      0.0032:          18:           3:          17:           4:          13:           4:
C...H...2...:     0.40901:         101:           1:           2:           0:      1.0000:           1:           0:           1:           1:           0:           0:
C...Br..(...:     0.27755:         102:           1:           1:           2:      0.0121:           1:           0:           1:           0:           2:           0:
C...I...(...:         0.0:         103:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
C...Cl..(...:    -0.25454:         104:           3:           0:           1:      0.0048:           3:           0:           0:           0:           1:           0:
C...N...(...:         0.0:         105:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
C...N...1...:         0.0:         106:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
C...N...=...:         0.0:         107:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
C...N...C...:     0.49153:         108:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
C...O...(...:    -0.49098:         109:           1:           0:           1:      0.0054:           0:           1:           0:           0:           0:           1:
C...O...1...:         0.0:         110:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
C...O...C...:     0.14519:         111:           4:           1:           1:      0.0068:           4:           0:           1:           0:           1:           0:
C...S...1...:     0.43157:         112:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
C...S...C...:         0.0:         113:           0:           1:           1:      0.0000:           0:           0:           1:           0:           0:           1:
C...[...(...:    -0.99583:         114:           1:           1:           0:      1.0000:           1:           0:           0:           1:           0:           0:
C...[...1...:    -0.24773:         115:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
C...[...C...:         0.0:         116:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
C5......0...:     3.72039:         117:          64:          63:          38:      0.0002:          55:           9:          52:          11:          31:           7:
C5......1...:    -3.05973:         118:           1:           1:           0:      1.0000:           1:           0:           0:           1:           0:           0:
C5....H.1...:     4.66561:         119:           2:           3:           1:      0.0014:           2:           0:           3:           0:           0:           1:
C6......0...:    -0.42999:         120:          42:          40:          28:      0.0013:          34:           8:          28:          12:          20:           8:
C6......1...:    -0.42181:         121:          20:          22:           7:      0.0044:          19:           1:          22:           0:           7:           0:
C6......2...:     2.48471:         122:           2:           5:           2:      0.0054:           2:           0:           5:           0:           2:           0:
C6......3...:     0.62999:         123:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
C6....H.1...:     2.21685:         124:           1:           0:           2:      0.0121:           1:           0:           0:           0:           2:           0:
C6....H.2...:     0.19494:         125:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1C...10-.:     0.20151:         126:           6:          11:           2:      0.0048:           3:           3:           7:           4:           2:           0:
E2E1C...11-.:    -0.38971:         127:          20:          10:          17:      0.0037:          16:           4:           8:           2:          12:           5:
E2E1C...12-.:     0.25519:         128:          26:          21:          15:      0.0001:          26:           0:          20:           1:          13:           2:
E2E1C...13-.:    -0.55398:         129:          23:          32:          12:      0.0010:          21:           2:          29:           3:          11:           1:
E2E1C...14-.:     0.10091:         130:          19:          17:           6:      0.0052:          18:           1:          14:           3:           4:           2:
E2E1C...15-.:     0.14748:         131:          21:          23:           8:      0.0037:          20:           1:          22:           1:           8:           0:
E2E1C...16-.:     0.63128:         132:          14:          17:           9:      0.0009:          13:           1:          16:           1:           8:           1:
E2E1C...17-.:    -0.00703:         133:          12:          15:           8:      0.0013:          11:           1:          14:           1:           8:           0:
E2E1C...18-.:     2.07100:         134:          10:           9:           3:      0.0056:          10:           0:           8:           1:           2:           1:
E2E1C...19-.:     1.05266:         135:           4:           2:           2:      0.0014:           4:           0:           2:           0:           2:           0:
E2E1C...20-.:     0.52204:         136:           8:           7:           3:      0.0039:           8:           0:           7:           0:           3:           0:
E2E1C...21-.:     0.20454:         137:          12:          12:           4:      0.0048:          11:           1:          12:           0:           4:           0:
E2E1C...22-.:     0.28900:         138:           5:          20:           8:      0.0100:           4:           1:          20:           0:           8:           0:
E2E1C...23-.:     0.27650:         139:           2:           4:           1:      0.0014:           2:           0:           4:           0:           1:           0:
E2E1C...24-.:         0.0:         140:           0:           8:           0:      0.0000:           0:           0:           7:           1:           0:           0:
E2E1C...25-.:     0.05272:         141:           3:           6:           2:      0.0013:           3:           0:           6:           0:           2:           0:
E2E1C...26-.:    -0.43352:         142:           4:           5:           2:      0.0014:           4:           0:           5:           0:           2:           0:
E2E1C...27-.:    -0.79249:         143:           1:           3:           0:      1.0000:           1:           0:           2:           1:           0:           0:
E2E1C...28-.:         0.0:         144:           0:           3:           1:      0.0000:           0:           0:           2:           1:           1:           0:
E2E1C...30-.:     0.53916:         145:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1C...34-.:         0.0:         146:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
E2E1C...36-.:    -0.23340:         147:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1C...4-..:     0.43426:         148:           2:           0:           0:      1.0000:           1:           1:           0:           0:           0:           0:
E2E1C...5-..:     0.34617:         149:          19:          15:          15:      0.0030:          15:           4:          10:           5:          11:           4:
E2E1C...6-..:    -0.55270:         150:          10:          12:           5:      0.0014:           8:           2:          10:           2:           4:           1:
E2E1C...7-..:     1.42659:         151:           5:           6:           1:      0.0082:           4:           1:           2:           4:           0:           1:
E2E1C...8-..:     0.56486:         152:          14:          13:           9:      0.0009:          13:           1:           9:           4:           7:           2:
E2E1C...9-..:     0.16775:         153:          28:          32:          18:      0.0009:          23:           5:          30:           2:          14:           4:
E2E1F...11-.:         0.0:         154:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
E2E1F...12-.:         0.0:         155:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
E2E1F...9-..:         0.0:         156:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
E2E1Br..10-.:    -1.27161:         157:           2:           3:           1:      0.0014:           2:           0:           3:           0:           1:           0:
E2E1Br..11-.:         0.0:         158:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
E2E1Br..12-.:     1.09964:         159:           4:           1:           0:      1.0000:           4:           0:           1:           0:           0:           0:
E2E1Br..13-.:         0.0:         160:           0:           1:           2:      0.0000:           0:           0:           1:           0:           2:           0:
E2E1Br..14-.:         0.0:         161:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
E2E1Br..5-..:     0.05961:         162:           6:           4:           5:      0.0035:           6:           0:           4:           0:           5:           0:
E2E1Br..6-..:    -0.24479:         163:           4:           1:           5:      0.0076:           4:           0:           1:           0:           5:           0:
E2E1Br..7-..:     0.40660:         164:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
E2E1Br..8-..:    -0.10225:         165:           3:           1:           3:      0.0054:           3:           0:           1:           0:           3:           0:
E2E1Br..9-..:     2.32013:         166:           5:           1:           4:      0.0031:           5:           0:           1:           0:           4:           0:
E2E1I...10-.:     0.07393:         167:           2:           0:           0:      1.0000:           2:           0:           0:           0:           0:           0:
E2E1I...12-.:         0.0:         168:           0:           3:           0:      0.0000:           0:           0:           3:           0:           0:           0:
E2E1I...4-..:    -0.20353:         169:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1I...5-..:     1.77929:         170:           3:           0:           2:      0.0013:           3:           0:           0:           0:           2:           0:
E2E1I...6-..:     1.05123:         171:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
E2E1I...7-..:         0.0:         172:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
E2E1I...8-..:     0.02020:         173:           2:           0:           0:      1.0000:           2:           0:           0:           0:           0:           0:
E2E1I...9-..:         0.0:         174:           0:           0:           2:      0.0000:           0:           0:           0:           0:           2:           0:
E2E1Cl..10-.:     0.42482:         175:           1:           3:           3:      0.0155:           1:           0:           2:           1:           3:           0:
E2E1Cl..11-.:    -0.98188:         176:           1:           3:           0:      1.0000:           1:           0:           2:           1:           0:           0:
E2E1Cl..12-.:     0.05890:         177:           4:           5:           2:      0.0014:           4:           0:           5:           0:           2:           0:
E2E1Cl..13-.:    -0.04480:         178:           1:           3:           1:      0.0054:           1:           0:           2:           1:           1:           0:
E2E1Cl..15-.:         0.0:         179:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
E2E1Cl..5-..:     0.41065:         180:           3:           6:           4:      0.0083:           3:           0:           4:           2:           4:           0:
E2E1Cl..6-..:    -0.10115:         181:           4:           4:           3:      0.0025:           4:           0:           4:           0:           3:           0:
E2E1Cl..7-..:     0.17227:         182:           2:           8:           2:      0.0054:           2:           0:           6:           2:           2:           0:
E2E1Cl..8-..:     1.31878:         183:           1:           2:           3:      0.0155:           1:           0:           2:           0:           3:           0:
E2E1Cl..9-..:    -0.33307:         184:           4:           8:           2:      0.0014:           4:           0:           7:           1:           2:           0:
E2E1Ge..22-.:     0.54677:         185:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1N...10-.:    -0.76431:         186:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1N...12-.:         0.0:         187:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
E2E1N...13-.:     1.12745:         188:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
E2E1N...14-.:     4.28887:         189:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
E2E1N...15-.:    -1.04409:         190:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
E2E1N...16-.:    -0.35183:         191:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
E2E1N...17-.:         0.0:         192:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
E2E1N...19-.:         0.0:         193:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
E2E1N...20-.:    -0.67054:         194:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
E2E1N...21-.:         0.0:         195:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
E2E1N...22-.:    -0.96262:         196:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1N...24-.:     0.52383:         197:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
E2E1N...5-..:     0.16513:         198:           3:           1:           0:      1.0000:           2:           1:           0:           1:           0:           0:
E2E1N...6-..:         0.0:         199:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
E2E1N...8-..:         0.0:         200:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
E2E1N...9-..:     0.33762:         201:           3:           0:           0:      1.0000:           2:           1:           0:           0:           0:           0:
E2E1O...10-.:     1.11055:         202:           2:           2:           1:      0.0014:           2:           0:           1:           1:           0:           1:
E2E1O...11-.:     0.33322:         203:           5:           4:           2:      0.0033:           3:           2:           2:           2:           1:           1:
E2E1O...12-.:     0.22989:         204:           4:           2:           2:      0.0014:           4:           0:           2:           0:           2:           0:
E2E1O...13-.:    -0.26868:         205:           1:           2:           0:      1.0000:           0:           1:           2:           0:           0:           0:
E2E1O...14-.:    -0.06019:         206:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1O...18-.:         0.0:         207:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
E2E1O...4-..:    -0.25740:         208:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
E2E1O...5-..:     0.11465:         209:           6:           7:           8:      0.0083:           4:           2:           5:           2:           4:           4:
E2E1O...6-..:    -0.06683:         210:           8:           8:           4:      0.0014:           4:           4:           5:           3:           2:           2:
E2E1O...7-..:     0.24350:         211:           2:           1:           0:      1.0000:           1:           1:           0:           1:           0:           0:
E2E1O...8-..:     0.13765:         212:           3:           5:           4:      0.0083:           2:           1:           3:           2:           2:           2:
E2E1O...9-..:     0.08361:         213:           7:           7:           7:      0.0054:           5:           2:           6:           1:           4:           3:
E2E1S...12-.:         0.0:         214:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
E2E1S...13-.:     0.57549:         215:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
E2E1S...14-.:         0.0:         216:           0:           0:           1:      0.0000:           0:           0:           0:           0:           0:           1:
E2E1S...20-.:     1.94100:         217:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1S...5-..:     2.34860:         218:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1S...6-..:         0.0:         219:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
E2E1S...8-..:     1.03619:         220:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1S...9-..:    -0.57303:         221:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
E2E1Si..22-.:    -0.13246:         222:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
E2E1Si..27-.:         0.0:         223:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
E2E1Si..28-.:         0.0:         224:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
F...(...(...:         0.0:         225:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
F...(.......:         0.0:         226:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
F...(...C...:         0.0:         227:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
F...........:         0.0:         228:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
EC1-C...2...:     0.18968:         229:          32:          27:          20:      0.0007:          25:           7:          19:           8:          15:           5:
EC1-C...3...:    -0.12171:         230:          47:          47:          27:      0.0001:          40:           7:          37:          10:          20:           7:
EC1-C...4...:     0.06316:         231:          54:          54:          33:      0.0005:          47:           7:          46:           8:          26:           7:
EC1-C...5...:     0.36926:         232:          35:          47:          19:      0.0007:          33:           2:          42:           5:          17:           2:
EC1-C...6...:     0.40088:         233:          24:          29:          11:      0.0022:          23:           1:          28:           1:          11:           0:
EC1-C...7...:    -0.88177:         234:          10:          18:           6:      0.0003:           9:           1:          17:           1:           6:           0:
EC1-C...8...:     0.31028:         235:           3:          10:           2:      0.0013:           3:           0:           9:           1:           2:           0:
EC1-C...9...:     0.27104:         236:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
EC1-F...4...:         0.0:         237:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
EC1-Br..2...:     0.29749:         238:          11:           7:           9:      0.0033:          11:           0:           7:           0:           9:           0:
EC1-Br..3...:     0.09444:         239:           9:           4:           7:      0.0028:           9:           0:           4:           0:           7:           0:
EC1-Br..4...:     0.93992:         240:           5:           2:           4:      0.0031:           5:           0:           2:           0:           4:           0:
EC1-Br..5...:    -0.00890:         241:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
EC1-I...2...:     2.27539:         242:           5:           3:           2:      0.0033:           5:           0:           3:           0:           2:           0:
EC1-I...3...:     0.54285:         243:           3:           0:           2:      0.0013:           3:           0:           0:           0:           2:           0:
EC1-I...4...:    -0.35964:         244:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
EC1-I...5...:         0.0:         245:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
EC1-Cl..2...:     0.28190:         246:           9:          16:           7:      0.0028:           9:           0:          12:           4:           7:           0:
EC1-Cl..3...:     0.08293:         247:           3:           9:           5:      0.0104:           3:           0:           7:           2:           5:           0:
EC1-Cl..4...:     0.12255:         248:           6:          10:           3:      0.0014:           6:           0:           9:           1:           3:           0:
EC1-Cl..5...:    -0.81394:         249:           2:           6:           1:      0.0014:           2:           0:           4:           2:           1:           0:
EC1-Ge..5...:    -0.87396:         250:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC1-N...2...:     0.11360:         251:           3:           2:           0:      1.0000:           2:           1:           1:           1:           0:           0:
EC1-N...3...:     0.43000:         252:           4:           1:           0:      1.0000:           3:           1:           0:           1:           0:           0:
EC1-N...4...:     0.18474:         253:           2:           3:           0:      1.0000:           2:           0:           3:           0:           0:           0:
EC1-N...5...:    -0.93162:         254:           2:           2:           0:      1.0000:           1:           1:           2:           0:           0:           0:
EC1-N...6...:    -0.27226:         255:           3:           4:           1:      0.0048:           3:           0:           4:           0:           1:           0:
EC1-O...2...:     0.24736:         256:          14:          15:          12:      0.0038:           8:           6:          10:           5:           6:           6:
EC1-O...3...:     0.44159:         257:          13:          14:          11:      0.0037:           9:           4:          10:           4:           6:           5:
EC1-O...4...:    -0.64909:         258:          10:           9:           5:      0.0014:           7:           3:           6:           3:           3:           2:
EC1-O...5...:     2.27132:         259:           1:           0:           1:      0.0054:           1:           0:           0:           0:           1:           0:
EC1-S...2...:     1.07156:         260:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
EC1-S...3...:     0.02996:         261:           2:           0:           0:      1.0000:           2:           0:           0:           0:           0:           0:
EC1-S...4...:         0.0:         262:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
EC1-S...5...:    -0.80296:         263:           1:           1:           1:      0.0054:           1:           0:           1:           0:           0:           1:
EC1-S...6...:     1.27659:         264:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC1-Si..5...:    -0.08971:         265:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
EC1-Si..7...:         0.0:         266:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
EC1-Si..8...:         0.0:         267:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
EC2-C...10..:     0.43826:         268:          26:          27:          10:      0.0037:          24:           2:          25:           2:           9:           1:
EC2-C...11..:     0.03399:         269:          17:          21:          11:      0.0010:          16:           1:          19:           2:          10:           1:
EC2-C...12..:     0.15089:         270:           9:          16:           8:      0.0042:           8:           1:          15:           1:           8:           0:
EC2-C...13..:     0.45519:         271:           9:           6:           1:      0.0109:           9:           0:           5:           1:           0:           1:
EC2-C...14..:     0.12805:         272:          10:           6:           3:      0.0056:          10:           0:           6:           0:           3:           0:
EC2-C...15..:     0.16142:         273:          13:          14:           7:      0.0007:          12:           1:          14:           0:           7:           0:
EC2-C...16..:     0.53326:         274:           4:          10:           6:      0.0094:           4:           0:          10:           0:           6:           0:
EC2-C...17..:         0.0:         275:           0:          13:           1:      0.0000:           0:           0:          13:           0:           1:           0:
EC2-C...18..:     0.01357:         276:           3:           6:           2:      0.0013:           3:           0:           5:           1:           2:           0:
EC2-C...2...:    -0.34211:         277:           2:           0:           0:      1.0000:           1:           1:           0:           0:           0:           0:
EC2-C...19..:     0.70435:         278:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
EC2-C...20..:    -0.81016:         279:           1:           3:           1:      0.0054:           1:           0:           2:           1:           1:           0:
EC2-C...21..:    -0.79686:         280:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
EC2-C...25..:         0.0:         281:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
EC2-C...27..:     0.15760:         282:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC2-C...3...:     0.57811:         283:          19:          15:          15:      0.0030:          15:           4:          10:           5:          11:           4:
EC2-C...4...:     0.44988:         284:          14:          16:           6:      0.0028:          12:           2:          12:           4:           4:           2:
EC2-C...5...:     0.45594:         285:          15:          17:           9:      0.0003:          14:           1:          12:           5:           7:           2:
EC2-C...6...:    -0.12336:         286:          30:          31:          18:      0.0003:          24:           6:          27:           4:          14:           4:
EC2-C...7...:    -0.04500:         287:          23:          19:          18:      0.0029:          18:           5:          15:           4:          13:           5:
EC2-C...8...:     0.58450:         288:          27:          21:          16:      0.0002:          26:           1:          19:           2:          14:           2:
EC2-C...9...:     0.48808:         289:          23:          31:          10:      0.0026:          22:           1:          30:           1:           9:           1:
EC2-F...5...:         0.0:         290:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
EC2-F...7...:         0.0:         291:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
EC2-F...8...:         0.0:         292:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
EC2-Br..10..:         0.0:         293:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
EC2-Br..3...:     0.24403:         294:           6:           4:           5:      0.0035:           6:           0:           4:           0:           5:           0:
EC2-Br..4...:     0.29730:         295:           4:           1:           5:      0.0076:           4:           0:           1:           0:           5:           0:
EC2-Br..5...:    -0.99949:         296:           4:           3:           3:      0.0025:           4:           0:           3:           0:           3:           0:
EC2-Br..6...:     2.47954:         297:           5:           2:           4:      0.0031:           5:           0:           2:           0:           4:           0:
EC2-Br..7...:     0.08232:         298:           2:           3:           2:      0.0054:           2:           0:           3:           0:           2:           0:
EC2-Br..8...:     0.09845:         299:           3:           1:           0:      1.0000:           3:           0:           1:           0:           0:           0:
EC2-Br..9...:         0.0:         300:           0:           0:           2:      0.0000:           0:           0:           0:           0:           2:           0:
EC2-I...2...:     2.41427:         301:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC2-I...3...:     2.15849:         302:           3:           0:           2:      0.0013:           3:           0:           0:           0:           2:           0:
EC2-I...4...:     0.28782:         303:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
EC2-I...5...:     0.02804:         304:           2:           1:           0:      1.0000:           2:           0:           1:           0:           0:           0:
EC2-I...6...:     1.20903:         305:           1:           0:           2:      0.0121:           1:           0:           0:           0:           2:           0:
EC2-I...7...:     0.31996:         306:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
EC2-I...8...:         0.0:         307:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
EC2-Cl..10..:         0.0:         308:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
EC2-Cl..3...:     0.37311:         309:           3:           6:           4:      0.0083:           3:           0:           4:           2:           4:           0:
EC2-Cl..4...:     0.87633:         310:           4:           5:           4:      0.0054:           4:           0:           5:           0:           4:           0:
EC2-Cl..5...:     0.39563:         311:           3:           9:           4:      0.0083:           3:           0:           7:           2:           4:           0:
EC2-Cl..6...:    -0.83927:         312:           4:           5:           1:      0.0068:           4:           0:           4:           1:           1:           0:
EC2-Cl..7...:     0.33821:         313:           2:           7:           4:      0.0121:           2:           0:           5:           2:           4:           0:
EC2-Cl..8...:     0.48770:         314:           4:           4:           1:      0.0068:           4:           0:           3:           1:           1:           0:
EC2-Cl..9...:         0.0:         315:           0:           2:           1:      0.0000:           0:           0:           2:           0:           1:           0:
EC2-Ge..17..:    -0.18506:         316:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC2-N...10..:     0.05540:         317:           2:           0:           0:      1.0000:           2:           0:           0:           0:           0:           0:
EC2-N...11..:     1.46486:         318:           1:           1:           1:      0.0054:           0:           1:           1:           0:           1:           0:
EC2-N...14..:    -0.18430:         319:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
EC2-N...15..:         0.0:         320:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
EC2-N...16..:     0.17045:         321:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC2-N...18..:    -0.82268:         322:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
EC2-N...3...:     0.17648:         323:           3:           1:           0:      1.0000:           2:           1:           0:           1:           0:           0:
EC2-N...4...:         0.0:         324:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
EC2-N...5...:         0.0:         325:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
EC2-N...6...:     0.26690:         326:           3:           0:           0:      1.0000:           2:           1:           0:           0:           0:           0:
EC2-N...7...:     0.22612:         327:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC2-N...8...:         0.0:         328:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
EC2-N...9...:     1.91320:         329:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
EC2-O...13..:         0.0:         330:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
EC2-O...2...:     0.01167:         331:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
EC2-O...3...:     0.22758:         332:           6:           7:           8:      0.0083:           4:           2:           5:           2:           4:           4:
EC2-O...4...:    -0.99214:         333:           9:           9:           4:      0.0024:           4:           5:           5:           4:           2:           2:
EC2-O...5...:     0.24261:         334:           3:           5:           4:      0.0083:           2:           1:           3:           2:           2:           2:
EC2-O...6...:     0.38251:         335:           8:           8:           8:      0.0054:           6:           2:           6:           2:           4:           4:
EC2-O...7...:     0.06409:         336:           6:           5:           2:      0.0048:           4:           2:           3:           2:           1:           1:
EC2-O...8...:     0.24123:         337:           4:           2:           2:      0.0014:           4:           0:           2:           0:           2:           0:
EC2-O...9...:     0.36088:         338:           2:           2:           0:      1.0000:           1:           1:           2:           0:           0:           0:
EC2-S...14..:     0.52084:         339:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC2-S...3...:     2.20289:         340:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC2-S...4...:         0.0:         341:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
EC2-S...5...:     0.32638:         342:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC2-S...6...:    -0.10600:         343:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
EC2-S...8...:     0.96721:         344:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
EC2-S...9...:         0.0:         345:           0:           1:           1:      0.0000:           0:           0:           1:           0:           0:           1:
EC2-Si..17..:    -0.62175:         346:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
EC2-Si..20..:         0.0:         347:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
H...........:     0.92757:         348:           2:           4:           0:      1.0000:           2:           0:           2:           2:           0:           0:
H...2.......:    -0.35756:         349:           1:           2:           0:      1.0000:           1:           0:           1:           1:           0:           0:
H...@.......:         0.0:         350:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
H...@...C...:         0.0:         351:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
H...@@......:         0.0:         352:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
H...@@..C...:         0.0:         353:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
H...C.......:     0.15257:         354:           2:           3:           0:      1.0000:           2:           0:           1:           2:           0:           0:
H...[...1...:         0.0:         355:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
H...[...C...:     0.27438:         356:           1:           1:           0:      1.0000:           1:           0:           0:           1:           0:           0:
Br..(...(...:     0.42044:         357:           2:           1:           0:      1.0000:           2:           0:           1:           0:           0:           0:
Br..(.......:     0.33434:         358:           8:           5:           6:      0.0025:           8:           0:           5:           0:           6:           0:
Br..(...1...:     0.01370:         359:           4:           1:           3:      0.0025:           4:           0:           1:           0:           3:           0:
Br..(...C...:     0.42978:         360:           2:           1:           1:      0.0014:           2:           0:           1:           0:           1:           0:
Br..(...Br..:     0.03147:         361:           3:           2:           5:      0.0104:           3:           0:           2:           0:           5:           0:
Br..........:     0.16666:         362:          12:           7:           9:      0.0025:          12:           0:           7:           0:           9:           0:
Br..C...(...:    -1.62199:         363:           2:           2:           2:      0.0054:           2:           0:           2:           0:           2:           0:
Br..C.......:    -0.13019:         364:           5:           3:           5:      0.0054:           5:           0:           3:           0:           5:           0:
Br..C...=...:         0.0:         365:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
Br..C...C...:     0.32157:         366:           3:           0:           3:      0.0054:           3:           0:           0:           0:           3:           0:
I...(.......:     0.11123:         367:           2:           3:           1:      0.0014:           2:           0:           3:           0:           1:           0:
I...(...1...:         0.0:         368:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
I...(...C...:     3.32176:         369:           2:           1:           1:      0.0014:           2:           0:           1:           0:           1:           0:
I...(...I...:     0.73222:         370:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
I...........:    -0.05563:         371:           5:           3:           2:      0.0033:           5:           0:           3:           0:           2:           0:
I...C...(...:     2.09653:         372:           1:           0:           1:      0.0054:           1:           0:           0:           0:           1:           0:
I...C.......:     0.17288:         373:           3:           0:           2:      0.0013:           3:           0:           0:           0:           2:           0:
I...C...C...:     0.30208:         374:           1:           0:           1:      0.0054:           1:           0:           0:           0:           1:           0:
Cl..(...(...:     0.38937:         375:           3:           7:           1:      0.0048:           3:           0:           6:           1:           1:           0:
Cl..(.......:     0.18493:         376:           9:          14:           6:      0.0013:           9:           0:          12:           2:           6:           0:
Cl..(...1...:     1.47119:         377:           1:           2:           1:      0.0054:           1:           0:           2:           0:           1:           0:
Cl..(...C...:     1.11545:         378:           2:           7:           3:      0.0094:           2:           0:           7:           0:           3:           0:
Cl..(...F...:         0.0:         379:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
Cl..(...Br..:    -0.84770:         380:           2:           1:           0:      1.0000:           2:           0:           1:           0:           0:           0:
Cl..(...Cl..:     0.17630:         381:           6:          12:           5:      0.0035:           6:           0:          11:           1:           5:           0:
Cl..........:     0.45511:         382:           9:          16:           7:      0.0028:           9:           0:          12:           4:           7:           0:
Cl..1.......:         0.0:         383:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
Cl..1...C...:         0.0:         384:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
Cl..C...(...:     1.27868:         385:           2:           1:           2:      0.0054:           2:           0:           0:           1:           2:           0:
Cl..C.......:     0.10246:         386:           3:           2:           2:      0.0013:           3:           0:           0:           2:           2:           0:
Cmax.0......:     0.46802:         387:          39:          35:          27:      0.0017:          31:           8:          25:          10:          20:           7:
Cmax.1......:    -0.48551:         388:          23:          25:          10:      0.0026:          22:           1:          24:           1:           9:           1:
Cmax.2......:     2.09831:         389:           4:           7:           2:      0.0014:           4:           0:           6:           1:           2:           0:
Cmax.3......:    -0.79856:         390:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
Ge..........:     0.27871:         391:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
Ge..[...(...:     2.06316:         392:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
Ge..[...Cl..:     2.45485:         393:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
N...#.......:    -0.63236:         394:           2:           1:           0:      1.0000:           1:           1:           0:           1:           0:           0:
N...#...C...:     0.46211:         395:           2:           1:           0:      1.0000:           1:           1:           0:           1:           0:           0:
N...(.......:     0.71991:         396:           1:           3:           0:      1.0000:           1:           0:           3:           0:           0:           0:
N...(...1...:     0.54506:         397:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
N...(...C...:         0.0:         398:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
N...+.......:     0.19052:         399:           3:           2:           0:      1.0000:           2:           1:           2:           0:           0:           0:
N...........:     0.25676:         400:           9:           9:           1:      0.0109:           7:           2:           8:           1:           1:           0:
N...1.......:         0.0:         401:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
N...1...C...:         0.0:         402:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
N...2.......:     0.05175:         403:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
N...=...(...:         0.0:         404:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
N...=.......:    -0.38634:         405:           2:           0:           1:      0.0014:           2:           0:           0:           0:           1:           0:
N...=...C...:    -0.61852:         406:           2:           0:           0:      1.0000:           2:           0:           0:           0:           0:           0:
N...C...(...:         0.0:         407:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
N...C.......:     1.93586:         408:           2:           5:           1:      0.0014:           2:           0:           5:           0:           1:           0:
N...C...1...:         0.0:         409:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
N...C...C...:     2.88075:         410:           2:           1:           0:      1.0000:           2:           0:           1:           0:           0:           0:
N...[...(...:    -0.12470:         411:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
N...[...1...:         0.0:         412:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
N...[...C...:     0.43863:         413:           2:           0:           0:      1.0000:           1:           1:           0:           0:           0:           0:
O...(.......:    -1.68699:         414:           8:           9:           5:      0.0007:           4:           4:           5:           4:           2:           3:
O...(...C...:    -0.97017:         415:           3:           4:           3:      0.0054:           0:           3:           1:           3:           1:           2:
O...(...O...:     0.57918:         416:           2:           3:           2:      0.0054:           2:           0:           2:           1:           1:           1:
O...-.......:    -0.55923:         417:           3:           2:           0:      1.0000:           2:           1:           2:           0:           0:           0:
O...........:     0.33740:         418:          19:          18:          13:      0.0016:          12:           7:          12:           6:           7:           6:
O...1.......:    -2.99541:         419:           1:           0:           1:      0.0054:           0:           1:           0:           0:           1:           0:
O...1...C...:     0.13683:         420:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
O...=...(...:     0.10753:         421:           6:           7:           2:      0.0048:           4:           2:           5:           2:           1:           1:
O...=.......:     0.43380:         422:           8:           9:           2:      0.0068:           6:           2:           7:           2:           1:           1:
O...=...1...:         0.0:         423:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
O...=...C...:     0.34336:         424:           2:           1:           0:      1.0000:           2:           0:           1:           0:           0:           0:
O...C...(...:     0.31930:         425:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
O...C.......:    -0.25862:         426:           9:           7:           9:      0.0054:           6:           3:           5:           2:           5:           4:
O...C...1...:     3.62897:         427:           3:           1:           1:      0.0048:           3:           0:           1:           0:           1:           0:
O...C...C...:     0.30832:         428:           5:           6:           9:      0.0112:           4:           1:           4:           2:           5:           4:
O...[...(...:     0.51481:         429:           3:           2:           0:      1.0000:           2:           1:           2:           0:           0:           0:
P3P2C...0-..:     0.10997:         430:          52:          49:          30:      0.0001:          46:           6:          41:           8:          24:           6:
P3P2C...1-..:     0.46894:         431:          62:          59:          36:      0.0000:          54:           8:          49:          10:          28:           8:
P3P2C...2-..:     0.27741:         432:          18:          31:          13:      0.0021:          14:           4:          25:           6:          12:           1:
P3P2C...3-..:    -2.62263:         433:           3:           7:           2:      0.0013:           3:           0:           6:           1:           2:           0:
P3P2C...4-..:    -0.38723:         434:           1:           3:           0:      1.0000:           1:           0:           2:           1:           0:           0:
P3P2F...0-..:         0.0:         435:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
P3P2F...1-..:         0.0:         436:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
P3P2F...2-..:         0.0:         437:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
P3P2Br..0-..:     0.07840:         438:          10:           4:           5:      0.0014:          10:           0:           4:           0:           5:           0:
P3P2Br..1-..:     1.07927:         439:           6:           5:           7:      0.0069:           6:           0:           5:           0:           7:           0:
P3P2Br..2-..:     0.30744:         440:           2:           3:           1:      0.0014:           2:           0:           3:           0:           1:           0:
P3P2Br..3-..:    -0.72846:         441:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
P3P2I...0-..:     0.12788:         442:           4:           2:           2:      0.0014:           4:           0:           2:           0:           2:           0:
P3P2I...1-..:     0.08869:         443:           5:           2:           0:      1.0000:           5:           0:           2:           0:           0:           0:
P3P2I...2-..:    -0.53130:         444:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
P3P2I...3-..:         0.0:         445:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
P3P2Cl..0-..:     0.21402:         446:           6:           9:           6:      0.0054:           6:           0:           6:           3:           6:           0:
P3P2Cl..1-..:     0.87454:         447:           5:           8:           6:      0.0072:           5:           0:           7:           1:           6:           0:
P3P2Cl..2-..:     0.90935:         448:           2:           8:           1:      0.0014:           2:           0:           6:           2:           1:           0:
P3P2Cl..3-..:     0.37644:         449:           1:           3:           1:      0.0054:           1:           0:           3:           0:           1:           0:
P3P2Ge..1-..:     0.22545:         450:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
P3P2N...0-..:    -0.17340:         451:           4:           5:           0:      1.0000:           3:           1:           4:           1:           0:           0:
P3P2N...1-..:     0.72217:         452:           5:           6:           1:      0.0082:           5:           0:           5:           1:           1:           0:
P3P2N...2-..:    -0.64093:         453:           2:           1:           0:      1.0000:           1:           1:           1:           0:           0:           0:
P3P2O...0-..:     0.01142:         454:          14:          13:          12:      0.0038:          10:           4:          10:           3:           7:           5:
P3P2O...1-..:     0.35747:         455:          12:          12:           5:      0.0030:           7:           5:           7:           5:           2:           3:
P3P2O...2-..:     3.01881:         456:           1:           1:           1:      0.0054:           1:           0:           0:           1:           0:           1:
P3P2S...0-..:     2.06984:         457:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
P3P2S...1-..:     1.87679:         458:           2:           2:           1:      0.0014:           2:           0:           2:           0:           0:           1:
P3P2S...2-..:     0.04710:         459:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
P3P2Si..1-..:    -0.41233:         460:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
P3P2Si..2-..:         0.0:         461:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
P3P2Si..4-..:         0.0:         462:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
S...(.......:     2.48696:         463:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
S...(...1...:         0.0:         464:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
S...(...=...:     0.20375:         465:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
S...........:     1.40681:         466:           2:           2:           1:      0.0014:           2:           0:           2:           0:           0:           1:
S...1.......:     2.27175:         467:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
S...=...(...:     2.27283:         468:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
S...=.......:    -0.71508:         469:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
S...C.......:     0.18529:         470:           1:           1:           1:      0.0054:           1:           0:           1:           0:           0:           1:
S...C...1...:         0.0:         471:           0:           0:           1:      0.0000:           0:           0:           0:           0:           0:           1:
S...C...=...:     0.10036:         472:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
S...C...C...:         0.0:         473:           0:           0:           1:      0.0000:           0:           0:           0:           0:           0:           1:
PT2-C...1...:     0.01754:         474:          42:          40:          27:      0.0009:          34:           8:          30:          10:          20:           7:
PT2-C...2...:     0.21003:         475:          56:          52:          33:      0.0001:          48:           8:          43:           9:          26:           7:
PT2-C...3...:     0.20579:         476:          34:          45:          17:      0.0014:          32:           2:          40:           5:          16:           1:
PT2-C...4...:     0.45335:         477:          13:          19:           8:      0.0005:          12:           1:          18:           1:           8:           0:
PT2-C...5...:     0.02667:         478:           4:           9:           2:      0.0014:           4:           0:           9:           0:           2:           0:
PT2-C...6...:    -1.01571:         479:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
PT2-F...3...:         0.0:         480:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
PT2-Br..1...:     0.39332:         481:          11:           7:           9:      0.0033:          11:           0:           7:           0:           9:           0:
PT2-Br..2...:     0.01810:         482:           5:           1:           5:      0.0054:           5:           0:           1:           0:           5:           0:
PT2-Br..3...:    -0.40195:         483:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
PT2-I...0...:     2.58101:         484:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
PT2-I...1...:     2.29107:         485:           5:           3:           2:      0.0033:           5:           0:           3:           0:           2:           0:
PT2-I...2...:     1.51838:         486:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
PT2-I...3...:         0.0:         487:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
PT2-Cl..1...:     1.33396:         488:           9:          16:           7:      0.0028:           9:           0:          12:           4:           7:           0:
PT2-Cl..2...:     0.30124:         489:           4:           5:           4:      0.0054:           4:           0:           5:           0:           4:           0:
PT2-Cl..3...:    -0.19841:         490:           2:           7:           1:      0.0014:           2:           0:           5:           2:           1:           0:
PT2-Ge..1...:    -0.79807:         491:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
PT2-N...1...:     0.07946:         492:           4:           3:           0:      1.0000:           3:           1:           2:           1:           0:           0:
PT2-N...2...:     0.01167:         493:           4:           4:           0:      1.0000:           3:           1:           4:           0:           0:           0:
PT2-N...3...:     0.22194:         494:           3:           4:           0:      1.0000:           3:           0:           4:           0:           0:           0:
PT2-N...4...:         0.0:         495:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
PT2-O...0...:    -0.85078:         496:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
PT2-O...1...:     0.34388:         497:          15:          15:          12:      0.0031:           9:           6:          10:           5:           6:           6:
PT2-O...2...:     0.11296:         498:          11:          11:           5:      0.0022:           7:           4:           7:           4:           3:           2:
PT2-O...3...:    -0.09785:         499:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
PT2-S...1...:     0.47409:         500:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
PT2-S...2...:     1.43942:         501:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
PT2-S...3...:    -0.91327:         502:           2:           1:           1:      0.0014:           2:           0:           1:           0:           0:           1:
PT2-Si..1...:     0.23781:         503:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
PT2-Si..3...:         0.0:         504:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
PT2-Si..4...:         0.0:         505:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
PT3-C...0...:    -0.99198:         506:          14:          22:          12:      0.0038:          11:           3:          13:           9:           9:           3:
PT3-C...1...:     0.10116:         507:          31:          30:          23:      0.0024:          24:           7:          19:          11:          16:           7:
PT3-C...2...:     0.38162:         508:          43:          40:          23:      0.0008:          39:           4:          35:           5:          19:           4:
PT3-C...3...:     0.49462:         509:          30:          33:          13:      0.0027:          29:           1:          31:           2:          12:           1:
PT3-C...4...:     0.44762:         510:          17:          20:           8:      0.0019:          16:           1:          20:           0:           8:           0:
PT3-C...5...:     0.24920:         511:           4:           9:           3:      0.0025:           4:           0:           9:           0:           3:           0:
PT3-C...6...:    -0.22861:         512:           1:           3:           1:      0.0054:           1:           0:           3:           0:           1:           0:
PT3-F...1...:         0.0:         513:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
PT3-F...3...:         0.0:         514:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
PT3-F...4...:         0.0:         515:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
PT3-Br..0...:     0.22471:         516:           3:           2:           2:      0.0013:           3:           0:           2:           0:           2:           0:
PT3-Br..1...:     0.39967:         517:           8:           5:           6:      0.0025:           8:           0:           5:           0:           6:           0:
PT3-Br..2...:     0.11348:         518:           6:           4:           5:      0.0035:           6:           0:           4:           0:           5:           0:
PT3-Br..3...:     0.19979:         519:           1:           2:           2:      0.0121:           1:           0:           2:           0:           2:           0:
PT3-Br..4...:         0.0:         520:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
PT3-I...0...:     0.31724:         521:           4:           1:           0:      1.0000:           4:           0:           1:           0:           0:           0:
PT3-I...1...:     0.39309:         522:           3:           0:           2:      0.0013:           3:           0:           0:           0:           2:           0:
PT3-I...2...:     2.04105:         523:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
PT3-I...3...:         0.0:         524:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
PT3-Cl..0...:     1.07732:         525:           1:           5:           2:      0.0121:           1:           0:           5:           0:           2:           0:
PT3-Cl..1...:     0.06418:         526:           6:          11:           5:      0.0035:           6:           0:           8:           3:           5:           0:
PT3-Cl..2...:     0.01617:         527:           5:           6:           5:      0.0054:           5:           0:           5:           1:           5:           0:
PT3-Cl..3...:     0.48626:         528:           3:          10:           2:      0.0013:           3:           0:           8:           2:           2:           0:
PT3-Cl..4...:         0.0:         529:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
PT3-Ge..0...:     0.44516:         530:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
PT3-N...0...:     0.19281:         531:           3:           2:           0:      1.0000:           2:           1:           1:           1:           0:           0:
PT3-N...1...:     0.28338:         532:           3:           2:           0:      1.0000:           2:           1:           1:           1:           0:           0:
PT3-N...2...:     0.08135:         533:           2:           3:           0:      1.0000:           2:           0:           3:           0:           0:           0:
PT3-N...3...:     2.00616:         534:           3:           4:           1:      0.0048:           3:           0:           4:           0:           1:           0:
PT3-N...4...:    -0.07073:         535:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
PT3-O...0...:    -1.21355:         536:           2:           2:           2:      0.0054:           1:           1:           0:           2:           0:           2:
PT3-O...1...:    -0.23775:         537:          13:          12:          10:      0.0027:           8:           5:           7:           5:           5:           5:
PT3-O...2...:     0.24921:         538:          12:          10:           5:      0.0030:           9:           3:           7:           3:           3:           2:
PT3-O...3...:     1.26613:         539:           2:           4:           0:      1.0000:           1:           1:           4:           0:           0:           0:
PT3-S...0...:    -0.90253:         540:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
PT3-S...1...:     0.08135:         541:           2:           1:           0:      1.0000:           2:           0:           1:           0:           0:           0:
PT3-S...2...:     2.24835:         542:           1:           1:           1:      0.0054:           1:           0:           1:           0:           0:           1:
PT3-S...3...:    -0.57484:         543:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
PT3-Si..0...:     0.27977:         544:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
PT3-Si..1...:         0.0:         545:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
S3S2C...0-..:     0.09146:         546:          47:          36:          26:      0.0005:          40:           7:          30:           6:          20:           6:
S3S2C...1-..:     0.26891:         547:          53:          59:          34:      0.0009:          48:           5:          51:           8:          29:           5:
S3S2C...2-..:    -0.16352:         548:          45:          40:          24:      0.0008:          37:           8:          33:           7:          19:           5:
S3S2C...3-..:     0.49215:         549:          11:          33:           9:      0.0033:           9:           2:          29:           4:           9:           0:
S3S2C...4-..:    -0.62742:         550:           3:          11:           2:      0.0013:           3:           0:          10:           1:           2:           0:
S3S2C...5-..:    -0.61785:         551:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
S3S2C...7-..:     0.05236:         552:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
S3S2F...2-..:         0.0:         553:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
S3S2F...3-..:         0.0:         554:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
S3S2Br..0-..:     0.05254:         555:           5:           2:           6:      0.0072:           5:           0:           2:           0:           6:           0:
S3S2Br..1-..:     2.31116:         556:           8:           5:           6:      0.0025:           8:           0:           5:           0:           6:           0:
S3S2Br..2-..:     0.29961:         557:           1:           1:           4:      0.0175:           1:           0:           1:           0:           4:           0:
S3S2Br..3-..:    -1.01928:         558:           1:           3:           1:      0.0054:           1:           0:           3:           0:           1:           0:
S3S2I...0-..:     0.22484:         559:           1:           2:           2:      0.0121:           1:           0:           2:           0:           2:           0:
S3S2I...1-..:     0.41467:         560:           5:           3:           1:      0.0082:           5:           0:           3:           0:           1:           0:
S3S2I...2-..:    -0.06329:         561:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
S3S2I...3-..:         0.0:         562:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
S3S2Cl..0-..:     0.73995:         563:           5:           4:           3:      0.0003:           5:           0:           2:           2:           3:           0:
S3S2Cl..1-..:     0.33858:         564:           6:          12:           7:      0.0069:           6:           0:          11:           1:           7:           0:
S3S2Cl..2-..:    -0.00591:         565:           2:           7:           1:      0.0014:           2:           0:           6:           1:           1:           0:
S3S2Cl..3-..:    -0.09803:         566:           2:           6:           1:      0.0014:           2:           0:           4:           2:           1:           0:
S3S2Ge..1-..:     0.43620:         567:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
S3S2N...0-..:     2.04663:         568:           3:           4:           1:      0.0048:           2:           1:           4:           0:           1:           0:
S3S2N...1-..:    -0.62042:         569:           6:           6:           0:      1.0000:           5:           1:           5:           1:           0:           0:
S3S2N...2-..:     0.09987:         570:           3:           1:           0:      1.0000:           2:           1:           1:           0:           0:           0:
S3S2O...0-..:     0.18934:         571:          14:          12:          10:      0.0020:           8:           6:           9:           3:           6:           4:
S3S2O...1-..:    -0.26284:         572:          11:           9:           4:      0.0041:           9:           2:           5:           4:           2:           2:
S3S2O...2-..:    -0.50705:         573:           4:           5:           4:      0.0054:           1:           3:           2:           3:           2:           2:
S3S2S...0-..:     1.04166:         574:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
S3S2S...1-..:    -0.11786:         575:           2:           2:           1:      0.0014:           2:           0:           2:           0:           0:           1:
S3S2S...3-..:     2.37897:         576:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
S3S2Si..1-..:     0.12832:         577:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
S3S2Si..3-..:         0.0:         578:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
S3S2Si..4-..:         0.0:         579:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
Si..........:     1.02145:         580:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
Si..[...(...:     0.73387:         581:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
Sn..........:     0.31275:         582:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
Sn..[...(...:     0.39697:         583:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
Sn..[...Br..:         0.0:         584:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
Sn..[...Cl..:    -1.08043:         585:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS2-C...1...:    -0.67239:         586:           9:          11:           6:      0.0013:           7:           2:           7:           4:           4:           2:
VS2-C...10..:     0.21838:         587:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
VS2-C...11..:     0.11430:         588:           1:           2:           1:      0.0054:           1:           0:           2:           0:           1:           0:
VS2-C...12..:    -1.03192:         589:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS2-C...2...:     0.25140:         590:          26:          23:          20:      0.0027:          20:           6:          14:           9:          14:           6:
VS2-C...3...:    -0.48669:         591:          36:          29:          23:      0.0009:          30:           6:          23:           6:          17:           6:
VS2-C...4...:     0.06020:         592:          29:          32:          19:      0.0011:          28:           1:          27:           5:          16:           3:
VS2-C...5...:     0.00558:         593:          29:          34:          11:      0.0038:          28:           1:          32:           2:          10:           1:
VS2-C...6...:     0.41918:         594:          23:          26:           9:      0.0035:          22:           1:          26:           0:           9:           0:
VS2-C...7...:     0.42041:         595:          15:          20:           8:      0.0008:          14:           1:          20:           0:           8:           0:
VS2-C...8...:     0.43797:         596:           5:          13:           4:      0.0031:           5:           0:          13:           0:           4:           0:
VS2-C...9...:    -0.21893:         597:           4:           6:           2:      0.0014:           4:           0:           6:           0:           2:           0:
VS2-F...4...:         0.0:         598:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
VS2-F...6...:         0.0:         599:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
VS2-F...7...:         0.0:         600:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
VS2-Br..1...:     0.31233:         601:           1:           1:           2:      0.0121:           1:           0:           1:           0:           2:           0:
VS2-Br..2...:     0.24689:         602:           7:           4:           5:      0.0020:           7:           0:           4:           0:           5:           0:
VS2-Br..3...:     0.34188:         603:           6:           4:           5:      0.0035:           6:           0:           4:           0:           5:           0:
VS2-Br..4...:     0.04029:         604:           5:           2:           1:      0.0082:           5:           0:           2:           0:           1:           0:
VS2-Br..5...:         0.0:         605:           0:           1:           2:      0.0000:           0:           0:           1:           0:           2:           0:
VS2-Br..6...:         0.0:         606:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
VS2-I...0...:     2.32626:         607:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS2-I...1...:    -0.23060:         608:           3:           0:           0:      1.0000:           3:           0:           0:           0:           0:           0:
VS2-I...2...:     0.08969:         609:           4:           0:           2:      0.0014:           4:           0:           0:           0:           2:           0:
VS2-I...3...:     0.34758:         610:           2:           3:           0:      1.0000:           2:           0:           3:           0:           0:           0:
VS2-I...4...:         0.0:         611:           0:           3:           0:      0.0000:           0:           0:           3:           0:           0:           0:
VS2-Cl..1...:         0.0:         612:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
VS2-Cl..2...:     0.30940:         613:           3:           7:           4:      0.0083:           3:           0:           5:           2:           4:           0:
VS2-Cl..3...:     0.15608:         614:           5:           9:           6:      0.0072:           5:           0:           8:           1:           6:           0:
VS2-Cl..4...:    -0.63476:         615:           5:           8:           4:      0.0031:           5:           0:           6:           2:           4:           0:
VS2-Cl..5...:     2.36295:         616:           2:           3:           1:      0.0014:           2:           0:           3:           0:           1:           0:
VS2-Cl..6...:         0.0:         617:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
VS2-Cl..7...:         0.0:         618:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
VS2-Ge..1...:    -0.96617:         619:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS2-N...1...:     0.24365:         620:           1:           1:           0:      1.0000:           1:           0:           0:           1:           0:           0:
VS2-N...2...:     0.10672:         621:           5:           3:           0:      1.0000:           3:           2:           2:           1:           0:           0:
VS2-N...3...:    -0.16545:         622:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
VS2-N...4...:         0.0:         623:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
VS2-N...5...:     0.32485:         624:           3:           4:           0:      1.0000:           3:           0:           4:           0:           0:           0:
VS2-N...6...:     2.74584:         625:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
VS2-N...7...:     0.70276:         626:           1:           0:           1:      0.0054:           1:           0:           0:           0:           1:           0:
VS2-O...0...:    -0.61150:         627:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
VS2-O...1...:    -3.71888:         628:           1:           1:           1:      0.0054:           0:           1:           0:           1:           0:           1:
VS2-O...2...:     0.06523:         629:           8:           8:           9:      0.0066:           6:           2:           5:           3:           4:           5:
VS2-O...3...:     0.34680:         630:          10:          10:           4:      0.0033:           6:           4:           6:           4:           2:           2:
VS2-O...4...:    -0.09023:         631:           7:           6:           4:      0.0002:           6:           1:           5:           1:           3:           1:
VS2-O...5...:     0.38792:         632:           3:           4:           0:      1.0000:           2:           1:           4:           0:           0:           0:
VS2-S...1...:     0.45801:         633:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS2-S...2...:     0.29471:         634:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS2-S...3...:         0.0:         635:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
VS2-S...4...:    -0.64048:         636:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
VS2-S...5...:     0.41967:         637:           1:           1:           1:      0.0054:           1:           0:           1:           0:           0:           1:
VS2-Si..1...:    -0.36814:         638:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
VS2-Si..4...:         0.0:         639:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
VS3-C...0...:    -0.50400:         640:          14:          22:          12:      0.0038:          11:           3:          13:           9:           9:           3:
VS3-C...1...:     0.16453:         641:          18:          20:          13:      0.0021:          11:           7:           9:          11:           8:           5:
VS3-C...10..:     1.11895:         642:           4:           5:           2:      0.0014:           4:           0:           5:           0:           2:           0:
VS3-C...11..:     0.36125:         643:           2:           3:           1:      0.0014:           2:           0:           3:           0:           1:           0:
VS3-C...12..:    -0.76571:         644:           2:           2:           1:      0.0014:           2:           0:           2:           0:           1:           0:
VS3-C...13..:     0.24308:         645:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS3-C...2...:     0.43277:         646:          23:          17:          19:      0.0034:          18:           5:          11:           6:          15:           4:
VS3-C...3...:     1.06221:         647:          15:          11:           9:      0.0003:          13:           2:           9:           2:           7:           2:
VS3-C...4...:     0.00155:         648:          32:          27:          14:      0.0026:          31:           1:          25:           2:          13:           1:
VS3-C...5...:     0.34374:         649:          20:          23:           6:      0.0056:          19:           1:          23:           0:           6:           0:
VS3-C...6...:    -0.58122:         650:          23:          25:           9:      0.0035:          22:           1:          24:           1:           8:           1:
VS3-C...7...:    -1.27150:         651:          15:          21:           8:      0.0008:          14:           1:          21:           0:           8:           0:
VS3-C...8...:     0.08921:         652:           9:          19:           6:      0.0013:           8:           1:          19:           0:           6:           0:
VS3-C...9...:     0.26832:         653:           3:          13:           2:      0.0013:           3:           0:          13:           0:           2:           0:
VS3-F...2...:         0.0:         654:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
VS3-F...4...:         0.0:         655:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
VS3-Br..0...:     1.46499:         656:           3:           2:           2:      0.0013:           3:           0:           2:           0:           2:           0:
VS3-Br..1...:     0.49474:         657:           3:           3:           4:      0.0083:           3:           0:           3:           0:           4:           0:
VS3-Br..2...:     0.38611:         658:           5:           3:           2:      0.0033:           5:           0:           3:           0:           2:           0:
VS3-Br..3...:     0.30026:         659:           2:           3:           2:      0.0054:           2:           0:           3:           0:           2:           0:
VS3-Br..4...:     0.85424:         660:           4:           2:           0:      1.0000:           4:           0:           2:           0:           0:           0:
VS3-Br..5...:     0.73512:         661:           3:           0:           2:      0.0013:           3:           0:           0:           0:           2:           0:
VS3-Br..6...:         0.0:         662:           0:           1:           3:      0.0000:           0:           0:           1:           0:           3:           0:
VS3-Br..8...:         0.0:         663:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
VS3-I...0...:     0.52835:         664:           4:           1:           0:      1.0000:           4:           0:           1:           0:           0:           0:
VS3-I...1...:     0.09797:         665:           2:           0:           1:      0.0014:           2:           0:           0:           0:           1:           0:
VS3-I...2...:     0.44321:         666:           2:           0:           2:      0.0054:           2:           0:           0:           0:           2:           0:
VS3-I...3...:     0.05530:         667:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
VS3-I...4...:         0.0:         668:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
VS3-Cl..0...:     0.36182:         669:           1:           5:           2:      0.0121:           1:           0:           5:           0:           2:           0:
VS3-Cl..1...:     0.90350:         670:           5:           7:           2:      0.0033:           5:           0:           6:           1:           2:           0:
VS3-Cl..2...:     0.07368:         671:           4:           6:           1:      0.0068:           4:           0:           4:           2:           1:           0:
VS3-Cl..3...:     0.25616:         672:           3:           9:           4:      0.0083:           3:           0:           7:           2:           4:           0:
VS3-Cl..4...:     0.14406:         673:           4:           5:           2:      0.0014:           4:           0:           3:           2:           2:           0:
VS3-Cl..5...:     0.20091:         674:           1:           2:           1:      0.0054:           1:           0:           2:           0:           1:           0:
VS3-Cl..6...:         0.0:         675:           0:           4:           0:      0.0000:           0:           0:           3:           1:           0:           0:
VS3-Cl..7...:         0.0:         676:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
VS3-Ge..0...:    -0.78768:         677:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS3-N...0...:     0.00089:         678:           3:           2:           0:      1.0000:           2:           1:           1:           1:           0:           0:
VS3-N...1...:     0.14700:         679:           1:           2:           0:      1.0000:           0:           1:           1:           1:           0:           0:
VS3-N...2...:     0.16322:         680:           2:           0:           0:      1.0000:           1:           1:           0:           0:           0:           0:
VS3-N...3...:     0.48100:         681:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS3-N...4...:    -0.40364:         682:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
VS3-N...5...:     0.39138:         683:           2:           5:           0:      1.0000:           2:           0:           5:           0:           0:           0:
VS3-N...7...:    -0.20705:         684:           1:           0:           1:      0.0054:           1:           0:           0:           0:           1:           0:
VS3-N...8...:    -0.05732:         685:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS3-O...0...:    -1.48167:         686:           2:           2:           2:      0.0054:           1:           1:           0:           2:           0:           2:
VS3-O...1...:    -0.31052:         687:           3:           4:           2:      0.0013:           1:           2:           0:           4:           0:           2:
VS3-O...2...:    -0.91173:         688:          11:          10:          11:      0.0054:           7:           4:           7:           3:           6:           5:
VS3-O...3...:     0.36600:         689:           6:           5:           2:      0.0048:           4:           2:           3:           2:           1:           1:
VS3-O...4...:    -0.59510:         690:           5:           2:           2:      0.0033:           5:           0:           2:           0:           2:           0:
VS3-O...5...:     0.17532:         691:           3:           4:           0:      1.0000:           2:           1:           4:           0:           0:           0:
VS3-O...6...:         0.0:         692:           0:           2:           1:      0.0000:           0:           0:           2:           0:           1:           0:
VS3-S...0...:     0.69492:         693:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS3-S...1...:     0.15072:         694:           2:           1:           0:      1.0000:           2:           0:           1:           0:           0:           0:
VS3-S...4...:     0.37173:         695:           1:           1:           1:      0.0054:           1:           0:           1:           0:           0:           1:
VS3-S...5...:     0.27674:         696:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
VS3-S...6...:         0.0:         697:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
VS3-Si..0...:     0.11810:         698:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
VS3-Si..1...:         0.0:         699:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
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[...(...C...:    -0.74724:         704:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
[...(...Br..:    -0.30889:         705:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
[...(...Cl..:    -0.10873:         706:           2:           3:           0:      1.0000:           2:           0:           2:           1:           0:           0:
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[...C...H...:    -0.12791:         722:           2:           3:           0:      1.0000:           2:           0:           1:           2:           0:           0:
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e1e2I...4+..:     0.02559:         783:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
e1e2I...5+..:    -1.09137:         784:           3:           0:           2:      0.0013:           3:           0:           0:           0:           2:           0:
e1e2I...6+..:     1.85672:         785:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
e1e2I...7+..:         0.0:         786:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
e1e2I...8+..:     0.03408:         787:           2:           0:           0:      1.0000:           2:           0:           0:           0:           0:           0:
e1e2I...9+..:         0.0:         788:           0:           0:           2:      0.0000:           0:           0:           0:           0:           2:           0:
e1e2Cl..10+.:     0.33984:         789:           1:           3:           3:      0.0155:           1:           0:           2:           1:           3:           0:
e1e2Cl..11+.:    -0.04559:         790:           1:           3:           0:      1.0000:           1:           0:           2:           1:           0:           0:
e1e2Cl..12+.:     3.29894:         791:           4:           5:           2:      0.0014:           4:           0:           5:           0:           2:           0:
e1e2Cl..13+.:     1.19000:         792:           1:           3:           1:      0.0054:           1:           0:           2:           1:           1:           0:
e1e2Cl..15+.:         0.0:         793:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
e1e2Cl..5+..:     0.66218:         794:           3:           6:           4:      0.0083:           3:           0:           4:           2:           4:           0:
e1e2Cl..6+..:     0.45252:         795:           4:           4:           3:      0.0025:           4:           0:           4:           0:           3:           0:
e1e2Cl..7+..:     0.64916:         796:           2:           8:           2:      0.0054:           2:           0:           6:           2:           2:           0:
e1e2Cl..8+..:     0.66058:         797:           1:           2:           3:      0.0155:           1:           0:           2:           0:           3:           0:
e1e2Cl..9+..:     0.14550:         798:           4:           8:           2:      0.0014:           4:           0:           7:           1:           2:           0:
e1e2Ge..22+.:     0.97861:         799:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
e1e2N...10+.:    -0.80207:         800:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
e1e2N...12+.:         0.0:         801:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
e1e2N...13+.:     0.53001:         802:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
e1e2N...14+.:     2.14616:         803:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
e1e2N...15+.:     0.08731:         804:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
e1e2N...16+.:     0.13870:         805:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
e1e2N...17+.:         0.0:         806:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
e1e2N...19+.:         0.0:         807:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
e1e2N...20+.:     0.15923:         808:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
e1e2N...21+.:         0.0:         809:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
e1e2N...22+.:     2.28586:         810:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
e1e2N...24+.:     0.08286:         811:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
e1e2N...5+..:     0.34785:         812:           3:           1:           0:      1.0000:           2:           1:           0:           1:           0:           0:
e1e2N...6+..:         0.0:         813:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
e1e2N...8+..:         0.0:         814:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
e1e2N...9+..:     0.12029:         815:           3:           0:           0:      1.0000:           2:           1:           0:           0:           0:           0:
e1e2O...10+.:     2.92837:         816:           2:           2:           1:      0.0014:           2:           0:           1:           1:           0:           1:
e1e2O...11+.:     0.08168:         817:           5:           4:           2:      0.0033:           3:           2:           2:           2:           1:           1:
e1e2O...12+.:     0.45650:         818:           4:           2:           2:      0.0014:           4:           0:           2:           0:           2:           0:
e1e2O...13+.:     0.31615:         819:           1:           2:           0:      1.0000:           0:           1:           2:           0:           0:           0:
e1e2O...14+.:    -0.27023:         820:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
e1e2O...18+.:         0.0:         821:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
e1e2O...4+..:    -0.00381:         822:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
e1e2O...5+..:     0.15701:         823:           6:           7:           8:      0.0083:           4:           2:           5:           2:           4:           4:
e1e2O...6+..:     0.10379:         824:           8:           8:           4:      0.0014:           4:           4:           5:           3:           2:           2:
e1e2O...7+..:     0.46645:         825:           2:           1:           0:      1.0000:           1:           1:           0:           1:           0:           0:
e1e2O...8+..:    -0.19586:         826:           3:           5:           4:      0.0083:           2:           1:           3:           2:           2:           2:
e1e2O...9+..:     0.28744:         827:           7:           7:           7:      0.0054:           5:           2:           6:           1:           4:           3:
e1e2S...12+.:         0.0:         828:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
e1e2S...13+.:     0.35525:         829:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
e1e2S...14+.:         0.0:         830:           0:           0:           1:      0.0000:           0:           0:           0:           0:           0:           1:
e1e2S...20+.:     0.07998:         831:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
e1e2S...5+..:     2.41257:         832:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
e1e2S...6+..:         0.0:         833:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
e1e2S...8+..:     0.43084:         834:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
e1e2S...9+..:     1.75320:         835:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
e1e2Si..22+.:     0.34182:         836:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
e1e2Si..27+.:         0.0:         837:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
e1e2Si..28+.:         0.0:         838:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
p2p3C...1+..:    -0.00001:         839:           9:          11:           6:      0.0013:           7:           2:           7:           4:           4:           2:
p2p3C...10+.:     1.48365:         840:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
p2p3C...11+.:     0.25033:         841:           1:           2:           1:      0.0054:           1:           0:           2:           0:           1:           0:
p2p3C...12+.:    -0.53610:         842:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
p2p3C...2+..:     0.49974:         843:          26:          23:          20:      0.0027:          20:           6:          14:           9:          14:           6:
p2p3C...3+..:     0.27046:         844:          36:          29:          23:      0.0009:          30:           6:          23:           6:          17:           6:
p2p3C...4+..:     0.06483:         845:          29:          32:          19:      0.0011:          28:           1:          27:           5:          16:           3:
p2p3C...5+..:     0.26367:         846:          29:          34:          11:      0.0038:          28:           1:          32:           2:          10:           1:
p2p3C...6+..:    -0.25538:         847:          23:          26:           9:      0.0035:          22:           1:          26:           0:           9:           0:
p2p3C...7+..:     0.39993:         848:          15:          20:           8:      0.0008:          14:           1:          20:           0:           8:           0:
p2p3C...8+..:     0.02893:         849:           5:          13:           4:      0.0031:           5:           0:          13:           0:           4:           0:
p2p3C...9+..:     0.25843:         850:           4:           6:           2:      0.0014:           4:           0:           6:           0:           2:           0:
p2p3F...4+..:         0.0:         851:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
p2p3F...6+..:         0.0:         852:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
p2p3F...7+..:         0.0:         853:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
p2p3Br..1+..:     0.42061:         854:           1:           1:           2:      0.0121:           1:           0:           1:           0:           2:           0:
p2p3Br..2+..:     2.30989:         855:           7:           4:           5:      0.0020:           7:           0:           4:           0:           5:           0:
p2p3Br..3+..:     0.00350:         856:           6:           4:           5:      0.0035:           6:           0:           4:           0:           5:           0:
p2p3Br..4+..:     0.39402:         857:           5:           2:           1:      0.0082:           5:           0:           2:           0:           1:           0:
p2p3Br..5+..:         0.0:         858:           0:           1:           2:      0.0000:           0:           0:           1:           0:           2:           0:
p2p3Br..6+..:         0.0:         859:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
p2p3I...0+..:    -0.04798:         860:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
p2p3I...1+..:     0.06356:         861:           3:           0:           0:      1.0000:           3:           0:           0:           0:           0:           0:
p2p3I...2+..:     0.57784:         862:           4:           0:           2:      0.0014:           4:           0:           0:           0:           2:           0:
p2p3I...3+..:     0.17090:         863:           2:           3:           0:      1.0000:           2:           0:           3:           0:           0:           0:
p2p3I...4+..:         0.0:         864:           0:           3:           0:      0.0000:           0:           0:           3:           0:           0:           0:
p2p3Cl..1+..:         0.0:         865:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
p2p3Cl..2+..:     1.13289:         866:           3:           7:           4:      0.0083:           3:           0:           5:           2:           4:           0:
p2p3Cl..3+..:     0.07311:         867:           5:           9:           6:      0.0072:           5:           0:           8:           1:           6:           0:
p2p3Cl..4+..:    -0.22558:         868:           5:           8:           4:      0.0031:           5:           0:           6:           2:           4:           0:
p2p3Cl..5+..:     1.32037:         869:           2:           3:           1:      0.0014:           2:           0:           3:           0:           1:           0:
p2p3Cl..6+..:         0.0:         870:           0:           2:           0:      0.0000:           0:           0:           1:           1:           0:           0:
p2p3Cl..7+..:         0.0:         871:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
p2p3Ge..1+..:    -0.35746:         872:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
p2p3N...1+..:    -0.36746:         873:           1:           1:           0:      1.0000:           1:           0:           0:           1:           0:           0:
p2p3N...2+..:     0.08477:         874:           5:           3:           0:      1.0000:           3:           2:           2:           1:           0:           0:
p2p3N...3+..:     0.34063:         875:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
p2p3N...4+..:         0.0:         876:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
p2p3N...5+..:     0.11821:         877:           3:           4:           0:      1.0000:           3:           0:           4:           0:           0:           0:
p2p3N...6+..:     1.66521:         878:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
p2p3N...7+..:     0.32689:         879:           1:           0:           1:      0.0054:           1:           0:           0:           0:           1:           0:
p2p3O...0+..:    -0.19601:         880:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
p2p3O...1+..:    -2.91494:         881:           1:           1:           1:      0.0054:           0:           1:           0:           1:           0:           1:
p2p3O...2+..:     0.22830:         882:           8:           8:           9:      0.0066:           6:           2:           5:           3:           4:           5:
p2p3O...3+..:     0.05883:         883:          10:          10:           4:      0.0033:           6:           4:           6:           4:           2:           2:
p2p3O...4+..:    -0.34141:         884:           7:           6:           4:      0.0002:           6:           1:           5:           1:           3:           1:
p2p3O...5+..:     0.35583:         885:           3:           4:           0:      1.0000:           2:           1:           4:           0:           0:           0:
p2p3S...1+..:     0.51195:         886:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
p2p3S...2+..:     0.08071:         887:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
p2p3S...3+..:         0.0:         888:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
p2p3S...4+..:     0.10309:         889:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
p2p3S...5+..:    -0.91501:         890:           1:           1:           1:      0.0054:           1:           0:           1:           0:           0:           1:
p2p3Si..1+..:     0.30788:         891:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
p2p3Si..4+..:         0.0:         892:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
s2s3C...1+..:     0.34767:         893:           9:          11:           6:      0.0013:           7:           2:           7:           4:           4:           2:
s2s3C...10+.:    -0.41927:         894:          20:          18:           7:      0.0044:          19:           1:          18:           0:           7:           0:
s2s3C...11+.:    -0.31047:         895:          17:          23:           6:      0.0043:          16:           1:          22:           1:           5:           1:
s2s3C...12+.:     2.37178:         896:          20:          21:           9:      0.0023:          19:           1:          21:           0:           9:           0:
s2s3C...13+.:     0.08814:         897:          13:          19:           8:      0.0005:          12:           1:          19:           0:           8:           0:
s2s3C...14+.:     0.37583:         898:           9:          15:           6:      0.0013:           9:           0:          15:           0:           6:           0:
s2s3C...15+.:     0.13968:         899:           3:          10:           2:      0.0013:           3:           0:          10:           0:           2:           0:
s2s3C...2+..:    -1.53437:         900:           4:           5:           4:      0.0054:           2:           2:           1:           4:           3:           1:
s2s3C...16+.:     0.45466:         901:           4:          10:           2:      0.0014:           4:           0:          10:           0:           2:           0:
s2s3C...17+.:     0.45249:         902:           3:           6:           2:      0.0013:           3:           0:           6:           0:           2:           0:
s2s3C...18+.:     0.15758:         903:           4:           2:           1:      0.0068:           4:           0:           2:           0:           1:           0:
s2s3C...19+.:     0.35028:         904:           2:           3:           1:      0.0014:           2:           0:           3:           0:           1:           0:
s2s3C...20+.:     0.12872:         905:           2:           0:           0:      1.0000:           2:           0:           0:           0:           0:           0:
s2s3C...21+.:     0.21076:         906:           2:           2:           1:      0.0014:           2:           0:           2:           0:           1:           0:
s2s3C...22+.:    -0.03984:         907:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3C...23+.:    -0.74052:         908:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3C...24+.:     0.67507:         909:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3C...3+..:     2.15863:         910:           5:          10:           6:      0.0072:           4:           1:           6:           4:           5:           1:
s2s3C...4+..:     0.46033:         911:          26:          18:          20:      0.0027:          19:           7:          11:           7:          14:           6:
s2s3C...5+..:     0.26385:         912:          16:          20:          12:      0.0025:          14:           2:          15:           5:          10:           2:
s2s3C...6+..:     0.09769:         913:           5:           4:           6:      0.0072:           3:           2:           2:           2:           4:           2:
s2s3C...7+..:    -0.44720:         914:          18:          11:          10:      0.0004:          17:           1:          10:           1:           9:           1:
s2s3C...8+..:     0.11489:         915:          22:          17:           7:      0.0051:          22:           0:          15:           2:           6:           1:
s2s3C...9+..:     0.43236:         916:          14:          17:           6:      0.0028:          14:           0:          16:           1:           5:           1:
s2s3F...10+.:         0.0:         917:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
s2s3F...11+.:         0.0:         918:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
s2s3F...6+..:         0.0:         919:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
s2s3Br..1+..:     2.02984:         920:           1:           1:           2:      0.0121:           1:           0:           1:           0:           2:           0:
s2s3Br..10+.:         0.0:         921:           0:           0:           2:      0.0000:           0:           0:           0:           0:           2:           0:
s2s3Br..11+.:         0.0:         922:           0:           0:           2:      0.0000:           0:           0:           0:           0:           2:           0:
s2s3Br..14+.:         0.0:         923:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
s2s3Br..2+..:     0.24452:         924:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3Br..3+..:     0.73544:         925:           2:           3:           3:      0.0094:           2:           0:           3:           0:           3:           0:
s2s3Br..4+..:     1.31558:         926:           5:           1:           3:      0.0003:           5:           0:           1:           0:           3:           0:
s2s3Br..5+..:     0.47266:         927:           3:           3:           1:      0.0048:           3:           0:           3:           0:           1:           0:
s2s3Br..6+..:         0.0:         928:           0:           0:           2:      0.0000:           0:           0:           0:           0:           2:           0:
s2s3Br..7+..:    -0.64087:         929:           5:           3:           1:      0.0082:           5:           0:           3:           0:           1:           0:
s2s3Br..8+..:     0.11783:         930:           1:           1:           2:      0.0121:           1:           0:           1:           0:           2:           0:
s2s3Br..9+..:     0.01572:         931:           3:           1:           1:      0.0048:           3:           0:           1:           0:           1:           0:
s2s3I...0+..:     0.00763:         932:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3I...1+..:     0.41981:         933:           3:           0:           0:      1.0000:           3:           0:           0:           0:           0:           0:
s2s3I...2+..:     0.30634:         934:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3I...3+..:     0.42500:         935:           2:           1:           1:      0.0014:           2:           0:           1:           0:           1:           0:
s2s3I...4+..:         0.0:         936:           0:           0:           2:      0.0000:           0:           0:           0:           0:           2:           0:
s2s3I...5+..:    -0.00988:         937:           2:           0:           0:      1.0000:           2:           0:           0:           0:           0:           0:
s2s3I...7+..:         0.0:         938:           0:           3:           0:      0.0000:           0:           0:           3:           0:           0:           0:
s2s3I...8+..:         0.0:         939:           0:           2:           0:      0.0000:           0:           0:           2:           0:           0:           0:
s2s3Cl..1+..:         0.0:         940:           0:           1:           1:      0.0000:           0:           0:           1:           0:           1:           0:
s2s3Cl..10+.:         0.0:         941:           0:           4:           1:      0.0000:           0:           0:           3:           1:           1:           0:
s2s3Cl..11+.:         0.0:         942:           0:           3:           0:      0.0000:           0:           0:           3:           0:           0:           0:
s2s3Cl..12+.:         0.0:         943:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
s2s3Cl..2+..:         0.0:         944:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
s2s3Cl..3+..:     0.39851:         945:           3:           5:           2:      0.0013:           3:           0:           5:           0:           2:           0:
s2s3Cl..4+..:     0.07069:         946:           3:           2:           0:      1.0000:           3:           0:           1:           1:           0:           0:
s2s3Cl..5+..:     0.03287:         947:           2:           7:           4:      0.0121:           2:           0:           5:           2:           4:           0:
s2s3Cl..6+..:    -0.11181:         948:           2:           2:           1:      0.0014:           2:           0:           2:           0:           1:           0:
s2s3Cl..7+..:     1.09199:         949:           5:           5:           4:      0.0031:           5:           0:           5:           0:           4:           0:
s2s3Cl..8+..:     0.20285:         950:           3:           4:           2:      0.0013:           3:           0:           3:           1:           2:           0:
s2s3Cl..9+..:    -0.84672:         951:           1:           2:           1:      0.0054:           1:           0:           1:           1:           1:           0:
s2s3Ge..1+..:     0.19652:         952:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3N...1+..:     1.33218:         953:           1:           1:           0:      1.0000:           1:           0:           0:           1:           0:           0:
s2s3N...10+.:     0.42247:         954:           1:           3:           0:      1.0000:           1:           0:           3:           0:           0:           0:
s2s3N...11+.:     0.32449:         955:           1:           2:           0:      1.0000:           1:           0:           2:           0:           0:           0:
s2s3N...12+.:     0.28488:         956:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3N...14+.:         0.0:         957:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
s2s3N...15+.:    -0.47352:         958:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3N...2+..:     0.38053:         959:           2:           1:           0:      1.0000:           1:           1:           1:           0:           0:           0:
s2s3N...3+..:    -0.52342:         960:           1:           2:           0:      1.0000:           0:           1:           1:           1:           0:           0:
s2s3N...4+..:     0.61237:         961:           2:           0:           0:      1.0000:           1:           1:           0:           0:           0:           0:
s2s3N...5+..:     0.36056:         962:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3N...7+..:     0.46148:         963:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
s2s3N...8+..:         0.0:         964:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
s2s3N...9+..:     3.46822:         965:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
s2s3O...0+..:    -0.69821:         966:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
s2s3O...1+..:    -2.70412:         967:           1:           1:           1:      0.0054:           0:           1:           0:           1:           0:           1:
s2s3O...10+.:    -2.47198:         968:           2:           4:           1:      0.0014:           1:           1:           4:           0:           1:           0:
s2s3O...11+.:         0.0:         969:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
s2s3O...2+..:     0.27251:         970:           1:           1:           1:      0.0054:           1:           0:           0:           1:           0:           1:
s2s3O...3+..:         0.0:         971:           0:           2:           1:      0.0000:           0:           0:           0:           2:           0:           1:
s2s3O...4+..:     0.17814:         972:           9:           7:           8:      0.0042:           5:           4:           4:           3:           4:           4:
s2s3O...5+..:    -0.43493:         973:           7:           5:           2:      0.0059:           6:           1:           3:           2:           1:           1:
s2s3O...6+..:     1.54757:         974:           4:           4:           3:      0.0025:           2:           2:           2:           2:           2:           1:
s2s3O...7+..:     0.41952:         975:           4:           5:           2:      0.0014:           4:           0:           4:           1:           2:           0:
s2s3O...8+..:    -1.71124:         976:           4:           2:           1:      0.0068:           3:           1:           2:           0:           1:           0:
s2s3O...9+..:    -0.49286:         977:           2:           1:           0:      1.0000:           2:           0:           1:           0:           0:           0:
s2s3S...1+..:     0.09982:         978:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3S...10+.:     0.45232:         979:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3S...11+.:         0.0:         980:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
s2s3S...3+..:     0.30190:         981:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
s2s3S...5+..:    -0.14466:         982:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
s2s3S...7+..:         0.0:         983:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
s2s3S...8+..:         0.0:         984:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
s2s3S...9+..:     0.33633:         985:           1:           0:           1:      0.0054:           1:           0:           0:           0:           0:           1:
s2s3Si..1+..:    -0.07922:         986:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
s2s3Si..4+..:         0.0:         987:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
s2s3Si..5+..:         0.0:         988:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
x...........:     0.89458:         989:          58:          57:          35:      0.0003:          51:           7:          48:           9:          28:           7:
x...1.......:     0.45449:         990:           8:          11:           3:      0.0039:           8:           0:          10:           1:           2:           1:
x...1...C...:     0.24422:         991:           7:          11:           2:      0.0059:           7:           0:          10:           1:           1:           1:
x...1...O...:         0.0:         992:           0:           0:           1:      0.0000:           0:           0:           0:           0:           1:           0:
x...1...S...:     0.06366:         993:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
x...2.......:    -0.97904:         994:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
x...2...1...:         0.0:         995:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
x...2...3...:     0.03015:         996:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
x...2...C...:         0.0:         997:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
x...2...N...:    -0.45190:         998:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
x...C...(...:     0.03946:         999:           5:           4:           2:      0.0033:           4:           1:           4:           0:           2:           0:
x...C.......:    -0.20193:        1000:           8:           8:           4:      0.0014:           7:           1:           8:           0:           3:           1:
x...C...1...:    -0.61580:        1001:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
x...C...C...:     0.19991:        1002:           1:           3:           2:      0.0121:           1:           0:           3:           0:           1:           1:
x...C...O...:     0.05230:        1003:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
x...Br..(...:     0.42517:        1004:           6:           5:           6:      0.0054:           6:           0:           5:           0:           6:           0:
x...Br......:     2.19591:        1005:          11:           7:           9:      0.0033:          11:           0:           7:           0:           9:           0:
x...Br..C...:     0.68015:        1006:           5:           2:           3:      0.0003:           5:           0:           2:           0:           3:           0:
x...I...(...:     0.00249:        1007:           2:           3:           0:      1.0000:           2:           0:           3:           0:           0:           0:
x...I.......:     0.28033:        1008:           5:           3:           2:      0.0033:           5:           0:           3:           0:           2:           0:
x...I...C...:     3.17730:        1009:           3:           0:           2:      0.0013:           3:           0:           0:           0:           2:           0:
x...Cl..(...:     0.41410:        1010:           8:          11:           5:      0.0007:           8:           0:           9:           2:           5:           0:
x...Cl......:     0.20211:        1011:           8:          13:           6:      0.0025:           8:           0:           9:           4:           6:           0:
x...Cl..C...:         0.0:        1012:           0:           2:           1:      0.0000:           0:           0:           0:           2:           1:           0:
x...N...#...:     0.42217:        1013:           2:           1:           0:      1.0000:           1:           1:           0:           1:           0:           0:
x...N...(...:         0.0:        1014:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
x...N.......:     0.10252:        1015:           3:           2:           0:      1.0000:           2:           1:           1:           1:           0:           0:
x...N...C...:     1.23955:        1016:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
x...O...(...:     0.65734:        1017:           3:           4:           4:      0.0083:           2:           1:           2:           2:           2:           2:
x...O.......:     0.15067:        1018:           9:           8:          11:      0.0074:           5:           4:           5:           3:           6:           5:
x...O...1...:    -0.85226:        1019:           1:           0:           0:      1.0000:           0:           1:           0:           0:           0:           0:
x...O...=...:     0.30033:        1020:           2:           2:           0:      1.0000:           2:           0:           2:           0:           0:           0:
x...O...C...:     0.15425:        1021:           3:           2:           7:      0.0135:           1:           2:           1:           1:           4:           3:
x...S...(...:         0.0:        1022:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
x...S.......:         0.0:        1023:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
x...[...-...:     0.23896:        1024:           3:           2:           0:      1.0000:           2:           1:           2:           0:           0:           0:
x...[.......:     0.21912:        1025:           4:           2:           0:      1.0000:           3:           1:           2:           0:           0:           0:
x...[...2...:     0.56053:        1026:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
y...........:     0.49463:        1027:           9:          10:           4:      0.0024:           7:           2:           7:           3:           3:           1:
y...1.......:    -0.65985:        1028:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
y...1...C...:     1.00785:        1029:           1:           1:           0:      1.0000:           1:           0:           1:           0:           0:           0:
y...C...(...:     2.27716:        1030:           1:           1:           1:      0.0054:           1:           0:           0:           1:           1:           0:
y...C.......:    -1.50010:        1031:           5:           1:           2:      0.0033:           4:           1:           0:           1:           2:           0:
y...C...C...:     0.15794:        1032:           4:           0:           1:      0.0068:           3:           1:           0:           0:           1:           0:
y...Cl..(...:         0.0:        1033:           0:           2:           1:      0.0000:           0:           0:           2:           0:           1:           0:
y...Cl......:         0.0:        1034:           0:           2:           1:      0.0000:           0:           0:           2:           0:           1:           0:
y...O...(...:         0.0:        1035:           0:           1:           0:      0.0000:           0:           0:           0:           1:           0:           0:
y...O.......:    -0.21051:        1036:           2:           5:           1:      0.0014:           1:           1:           3:           2:           0:           1:
y...O...C...:     2.32509:        1037:           2:           4:           1:      0.0014:           1:           1:           3:           1:           0:           1:
y...S.......:    -0.22638:        1038:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
y...S...=...:    -0.10703:        1039:           1:           0:           0:      1.0000:           1:           0:           0:           0:           0:           0:
y...[.......:         0.0:        1040:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
y...[...2...:         0.0:        1041:           0:           1:           0:      0.0000:           0:           0:           1:           0:           0:           0:
Threshold=1 Number of SMILES Attributes(SA)=1041 Number of active SA=819

* List of attributes which are absent in invisible training set and not blocked:
   1 $10000000110
   2 $10001000010
   3 $11010000000
   4 (...C...#...
   5 (...I...(...
   6 2...(.......
   7 3...........
   8 3...2.......
   9 =...3.......
  10 =...C...3...
  11 =...C...=...
  12 =...N...(...
  13 =...N...2...
  14 =...S...(...
  15 C...(...2...
  16 C...2...(...
  17 C...3.......
  18 C...3...2...
  19 C...3...=...
  20 C...=...3...
  21 C...C...3...
  22 C...Cl..(...
  23 C...O...(...
  24 C...S...1...
  25 C6......3...
  26 C6....H.1...
  27 C6....H.2...
  28 E2E1C...30-.
  29 E2E1C...36-.
  30 E2E1C...4-..
  31 E2E1I...10-.
  32 E2E1I...4-..
  33 E2E1I...5-..
  34 E2E1I...8-..
  35 E2E1Ge..22-.
  36 E2E1N...10-.
  37 E2E1N...16-.
  38 E2E1N...22-.
  39 E2E1N...9-..
  40 E2E1O...14-.
  41 E2E1O...4-..
  42 E2E1S...20-.
  43 E2E1S...5-..
  44 E2E1S...8-..
  45 E2E1S...9-..
  46 EC1-I...3...
  47 EC1-Ge..5...
  48 EC1-O...5...
  49 EC1-S...3...
  50 EC1-S...6...
  51 EC2-C...2...
  52 EC2-C...27..
  53 EC2-I...2...
  54 EC2-I...3...
  55 EC2-I...6...
  56 EC2-Ge..17..
  57 EC2-N...10..
  58 EC2-N...16..
  59 EC2-N...6...
  60 EC2-N...7...
  61 EC2-O...2...
  62 EC2-S...14..
  63 EC2-S...3...
  64 EC2-S...5...
  65 EC2-S...6...
  66 Br..C...C...
  67 I...(...I...
  68 I...C...(...
  69 I...C.......
  70 I...C...C...
  71 Cmax.3......
  72 Ge..........
  73 Ge..[...(...
  74 Ge..[...Cl..
  75 N...2.......
  76 N...=.......
  77 N...=...C...
  78 N...[...C...
  79 O...1.......
  80 O...1...C...
  81 O...C...(...
  82 P3P2Ge..1-..
  83 S...(...=...
  84 S...1.......
  85 S...=...(...
  86 S...=.......
  87 PT2-I...0...
  88 PT2-Ge..1...
  89 PT2-O...0...
  90 PT2-O...3...
  91 PT3-I...1...
  92 PT3-Ge..0...
  93 PT3-N...4...
  94 PT3-S...0...
  95 S3S2C...7-..
  96 S3S2I...2-..
  97 S3S2Ge..1-..
  98 Sn..[...Cl..
  99 VS2-C...12..
 100 VS2-I...0...
 101 VS2-I...1...
 102 VS2-I...2...
 103 VS2-Ge..1...
 104 VS2-N...7...
 105 VS2-O...0...
 106 VS2-S...1...
 107 VS2-S...2...
 108 VS3-C...13..
 109 VS3-Br..5...
 110 VS3-I...1...
 111 VS3-I...2...
 112 VS3-Ge..0...
 113 VS3-N...2...
 114 VS3-N...3...
 115 VS3-N...7...
 116 VS3-N...8...
 117 VS3-S...0...
 118 VS3-S...5...
 119 [...(...C...
 120 [...Cl......
 121 [...Ge......
 122 [...Ge..[...
 123 e1e2C...30+.
 124 e1e2C...4+..
 125 e1e2C...36+.
 126 e1e2I...10+.
 127 e1e2I...4+..
 128 e1e2I...5+..
 129 e1e2I...8+..
 130 e1e2Ge..22+.
 131 e1e2N...10+.
 132 e1e2N...16+.
 133 e1e2N...22+.
 134 e1e2N...9+..
 135 e1e2O...14+.
 136 e1e2O...4+..
 137 e1e2S...20+.
 138 e1e2S...5+..
 139 e1e2S...8+..
 140 e1e2S...9+..
 141 p2p3C...12+.
 142 p2p3I...0+..
 143 p2p3I...1+..
 144 p2p3I...2+..
 145 p2p3Ge..1+..
 146 p2p3N...7+..
 147 p2p3O...0+..
 148 p2p3S...1+..
 149 p2p3S...2+..
 150 s2s3C...20+.
 151 s2s3C...22+.
 152 s2s3C...23+.
 153 s2s3C...24+.
 154 s2s3Br..2+..
 155 s2s3I...0+..
 156 s2s3I...1+..
 157 s2s3I...2+..
 158 s2s3I...5+..
 159 s2s3Ge..1+..
 160 s2s3N...12+.
 161 s2s3N...15+.
 162 s2s3N...4+..
 163 s2s3N...5+..
 164 s2s3O...0+..
 165 s2s3S...1+..
 166 s2s3S...10+.
 167 s2s3S...3+..
 168 s2s3S...9+..
 169 x...1...S...
 170 x...2...3...
 171 x...2...N...
 172 x...C...O...
 173 x...I...C...
 174 x...N...C...
 175 x...O...1...
 176 x...[...2...
 177 y...C...C...
 178 y...S.......
 179 y...S...=...

* List of attributes which are absent in calibration set and not blocked:
   1 $00000000110
   2 $00010000000
   3 $10000000110
   4 $10000100000
   5 $10001000010
   6 $10011000000
   7 $11010000000
   8 (...C...#...
   9 (...I...(...
  10 +...........
  11 +...[...(...
  12 -...........
  13 2...(.......
  14 3...........
  15 3...2.......
  16 =...3.......
  17 =...C...3...
  18 =...C...=...
  19 =...N...(...
  20 =...N...2...
  21 =...S...(...
  22 C...(...(...
  23 C...(...2...
  24 C...2...(...
  25 C...3.......
  26 C...3...2...
  27 C...3...=...
  28 C...=...3...
  29 C...C...3...
  30 C...H...2...
  31 C...N...C...
  32 C...S...1...
  33 C...[...(...
  34 C...[...1...
  35 C5......1...
  36 C6......3...
  37 C6....H.2...
  38 E2E1C...27-.
  39 E2E1C...30-.
  40 E2E1C...36-.
  41 E2E1C...4-..
  42 E2E1Br..12-.
  43 E2E1Br..7-..
  44 E2E1I...10-.
  45 E2E1I...4-..
  46 E2E1I...6-..
  47 E2E1I...8-..
  48 E2E1Cl..11-.
  49 E2E1Ge..22-.
  50 E2E1N...10-.
  51 E2E1N...13-.
  52 E2E1N...14-.
  53 E2E1N...15-.
  54 E2E1N...16-.
  55 E2E1N...20-.
  56 E2E1N...22-.
  57 E2E1N...24-.
  58 E2E1N...5-..
  59 E2E1N...9-..
  60 E2E1O...13-.
  61 E2E1O...14-.
  62 E2E1O...4-..
  63 E2E1O...7-..
  64 E2E1S...13-.
  65 E2E1S...20-.
  66 E2E1S...5-..
  67 E2E1S...8-..
  68 E2E1S...9-..
  69 E2E1Si..22-.
  70 EC1-C...9...
  71 EC1-Br..5...
  72 EC1-I...4...
  73 EC1-Ge..5...
  74 EC1-N...2...
  75 EC1-N...3...
  76 EC1-N...4...
  77 EC1-N...5...
  78 EC1-S...2...
  79 EC1-S...3...
  80 EC1-S...6...
  81 EC1-Si..5...
  82 EC2-C...2...
  83 EC2-C...19..
  84 EC2-C...21..
  85 EC2-C...27..
  86 EC2-Br..8...
  87 EC2-I...2...
  88 EC2-I...4...
  89 EC2-I...5...
  90 EC2-I...7...
  91 EC2-Ge..17..
  92 EC2-N...10..
  93 EC2-N...14..
  94 EC2-N...16..
  95 EC2-N...18..
  96 EC2-N...3...
  97 EC2-N...6...
  98 EC2-N...7...
  99 EC2-N...9...
 100 EC2-O...2...
 101 EC2-O...9...
 102 EC2-S...14..
 103 EC2-S...3...
 104 EC2-S...5...
 105 EC2-S...6...
 106 EC2-S...8...
 107 EC2-Si..17..
 108 H...........
 109 H...2.......
 110 H...C.......
 111 H...[...C...
 112 Br..(...(...
 113 I...(...I...
 114 Cl..(...Br..
 115 Cmax.3......
 116 Ge..........
 117 Ge..[...(...
 118 Ge..[...Cl..
 119 N...#.......
 120 N...#...C...
 121 N...(.......
 122 N...(...1...
 123 N...+.......
 124 N...2.......
 125 N...=...C...
 126 N...C...C...
 127 N...[...(...
 128 N...[...C...
 129 O...-.......
 130 O...1...C...
 131 O...=...C...
 132 O...C...(...
 133 O...[...(...
 134 P3P2C...4-..
 135 P3P2Br..3-..
 136 P3P2I...1-..
 137 P3P2I...2-..
 138 P3P2Ge..1-..
 139 P3P2N...0-..
 140 P3P2N...2-..
 141 P3P2S...0-..
 142 P3P2S...2-..
 143 P3P2Si..1-..
 144 S...(.......
 145 S...(...=...
 146 S...1.......
 147 S...=...(...
 148 S...=.......
 149 S...C...=...
 150 PT2-C...6...
 151 PT2-Br..3...
 152 PT2-I...0...
 153 PT2-I...2...
 154 PT2-Ge..1...
 155 PT2-N...1...
 156 PT2-N...2...
 157 PT2-N...3...
 158 PT2-O...0...
 159 PT2-O...3...
 160 PT2-S...1...
 161 PT2-S...2...
 162 PT2-Si..1...
 163 PT3-I...0...
 164 PT3-I...2...
 165 PT3-Ge..0...
 166 PT3-N...0...
 167 PT3-N...1...
 168 PT3-N...2...
 169 PT3-N...4...
 170 PT3-O...3...
 171 PT3-S...0...
 172 PT3-S...1...
 173 PT3-S...3...
 174 PT3-Si..0...
 175 S3S2C...5-..
 176 S3S2C...7-..
 177 S3S2I...2-..
 178 S3S2Ge..1-..
 179 S3S2N...1-..
 180 S3S2N...2-..
 181 S3S2S...0-..
 182 S3S2S...3-..
 183 S3S2Si..1-..
 184 Si..........
 185 Si..[...(...
 186 Sn..........
 187 Sn..[...(...
 188 Sn..[...Cl..
 189 VS2-C...10..
 190 VS2-C...12..
 191 VS2-I...0...
 192 VS2-I...1...
 193 VS2-I...3...
 194 VS2-Ge..1...
 195 VS2-N...1...
 196 VS2-N...2...
 197 VS2-N...3...
 198 VS2-N...5...
 199 VS2-N...6...
 200 VS2-O...0...
 201 VS2-O...5...
 202 VS2-S...1...
 203 VS2-S...2...
 204 VS2-S...4...
 205 VS2-Si..1...
 206 VS3-C...13..
 207 VS3-Br..4...
 208 VS3-I...0...
 209 VS3-I...3...
 210 VS3-Ge..0...
 211 VS3-N...0...
 212 VS3-N...1...
 213 VS3-N...2...
 214 VS3-N...3...
 215 VS3-N...4...
 216 VS3-N...5...
 217 VS3-N...8...
 218 VS3-O...5...
 219 VS3-S...0...
 220 VS3-S...1...
 221 VS3-S...5...
 222 VS3-Si..0...
 223 [...(.......
 224 [...(...1...
 225 [...(...=...
 226 [...(...C...
 227 [...(...Br..
 228 [...(...Cl..
 229 [...(...O...
 230 [...+.......
 231 [...+...N...
 232 [...-.......
 233 [...-...O...
 234 [...........
 235 [...1.......
 236 [...1...C...
 237 [...2.......
 238 [...2...H...
 239 [...C.......
 240 [...C...C...
 241 [...C...H...
 242 [...C...Cl..
 243 [...H.......
 244 [...H...C...
 245 [...Cl......
 246 [...Ge......
 247 [...Ge..[...
 248 [...N...+...
 249 [...N.......
 250 [...O...-...
 251 [...O.......
 252 [...Si......
 253 [...Si..[...
 254 [...Sn......
 255 [...Sn..[...
 256 e1e2C...27+.
 257 e1e2C...30+.
 258 e1e2C...4+..
 259 e1e2C...36+.
 260 e1e2Br..12+.
 261 e1e2Br..7+..
 262 e1e2I...10+.
 263 e1e2I...4+..
 264 e1e2I...6+..
 265 e1e2I...8+..
 266 e1e2Cl..11+.
 267 e1e2Ge..22+.
 268 e1e2N...10+.
 269 e1e2N...13+.
 270 e1e2N...14+.
 271 e1e2N...15+.
 272 e1e2N...16+.
 273 e1e2N...20+.
 274 e1e2N...22+.
 275 e1e2N...24+.
 276 e1e2N...5+..
 277 e1e2N...9+..
 278 e1e2O...13+.
 279 e1e2O...14+.
 280 e1e2O...4+..
 281 e1e2O...7+..
 282 e1e2S...13+.
 283 e1e2S...20+.
 284 e1e2S...5+..
 285 e1e2S...8+..
 286 e1e2S...9+..
 287 e1e2Si..22+.
 288 p2p3C...10+.
 289 p2p3C...12+.
 290 p2p3I...0+..
 291 p2p3I...1+..
 292 p2p3I...3+..
 293 p2p3Ge..1+..
 294 p2p3N...1+..
 295 p2p3N...2+..
 296 p2p3N...3+..
 297 p2p3N...5+..
 298 p2p3N...6+..
 299 p2p3O...0+..
 300 p2p3O...5+..
 301 p2p3S...1+..
 302 p2p3S...2+..
 303 p2p3S...4+..
 304 p2p3Si..1+..
 305 s2s3C...20+.
 306 s2s3C...22+.
 307 s2s3C...23+.
 308 s2s3C...24+.
 309 s2s3Br..2+..
 310 s2s3I...0+..
 311 s2s3I...1+..
 312 s2s3I...2+..
 313 s2s3I...5+..
 314 s2s3Cl..4+..
 315 s2s3Ge..1+..
 316 s2s3N...1+..
 317 s2s3N...10+.
 318 s2s3N...11+.
 319 s2s3N...12+.
 320 s2s3N...15+.
 321 s2s3N...2+..
 322 s2s3N...3+..
 323 s2s3N...4+..
 324 s2s3N...5+..
 325 s2s3N...7+..
 326 s2s3N...9+..
 327 s2s3O...0+..
 328 s2s3O...9+..
 329 s2s3S...1+..
 330 s2s3S...10+.
 331 s2s3S...3+..
 332 s2s3S...5+..
 333 s2s3Si..1+..
 334 x...1...S...
 335 x...2.......
 336 x...2...3...
 337 x...2...N...
 338 x...C...1...
 339 x...C...O...
 340 x...I...(...
 341 x...N...#...
 342 x...N.......
 343 x...N...C...
 344 x...O...1...
 345 x...O...=...
 346 x...[...-...
 347 x...[.......
 348 x...[...2...
 349 y...1.......
 350 y...1...C...
 351 y...S.......
 352 y...S...=...

* List of attributes which are absent in invisible training and calibration sets and not blocked:
   1 $10000000110
   2 $10001000010
   3 $11010000000
   4 (...C...#...
   5 (...I...(...
   6 2...(.......
   7 3...........
   8 3...2.......
   9 =...3.......
  10 =...C...3...
  11 =...C...=...
  12 =...N...(...
  13 =...N...2...
  14 =...S...(...
  15 C...(...2...
  16 C...2...(...
  17 C...3.......
  18 C...3...2...
  19 C...3...=...
  20 C...=...3...
  21 C...C...3...
  22 C...S...1...
  23 C6......3...
  24 C6....H.2...
  25 E2E1C...30-.
  26 E2E1C...36-.
  27 E2E1C...4-..
  28 E2E1I...10-.
  29 E2E1I...4-..
  30 E2E1I...8-..
  31 E2E1Ge..22-.
  32 E2E1N...10-.
  33 E2E1N...16-.
  34 E2E1N...22-.
  35 E2E1N...9-..
  36 E2E1O...14-.
  37 E2E1O...4-..
  38 E2E1S...20-.
  39 E2E1S...5-..
  40 E2E1S...8-..
  41 E2E1S...9-..
  42 EC1-Ge..5...
  43 EC1-S...3...
  44 EC1-S...6...
  45 EC2-C...2...
  46 EC2-C...27..
  47 EC2-I...2...
  48 EC2-Ge..17..
  49 EC2-N...10..
  50 EC2-N...16..
  51 EC2-N...6...
  52 EC2-N...7...
  53 EC2-O...2...
  54 EC2-S...14..
  55 EC2-S...3...
  56 EC2-S...5...
  57 EC2-S...6...
  58 I...(...I...
  59 Cmax.3......
  60 Ge..........
  61 Ge..[...(...
  62 Ge..[...Cl..
  63 N...2.......
  64 N...=...C...
  65 N...[...C...
  66 O...1...C...
  67 O...C...(...
  68 P3P2Ge..1-..
  69 S...(...=...
  70 S...1.......
  71 S...=...(...
  72 S...=.......
  73 PT2-I...0...
  74 PT2-Ge..1...
  75 PT2-O...0...
  76 PT2-O...3...
  77 PT3-Ge..0...
  78 PT3-N...4...
  79 PT3-S...0...
  80 S3S2C...7-..
  81 S3S2I...2-..
  82 S3S2Ge..1-..
  83 Sn..[...Cl..
  84 VS2-C...12..
  85 VS2-I...0...
  86 VS2-I...1...
  87 VS2-Ge..1...
  88 VS2-O...0...
  89 VS2-S...1...
  90 VS2-S...2...
  91 VS3-C...13..
  92 VS3-Ge..0...
  93 VS3-N...2...
  94 VS3-N...3...
  95 VS3-N...8...
  96 VS3-S...0...
  97 VS3-S...5...
  98 [...(...C...
  99 [...Cl......
 100 [...Ge......
 101 [...Ge..[...
 102 e1e2C...30+.
 103 e1e2C...4+..
 104 e1e2C...36+.
 105 e1e2I...10+.
 106 e1e2I...4+..
 107 e1e2I...8+..
 108 e1e2Ge..22+.
 109 e1e2N...10+.
 110 e1e2N...16+.
 111 e1e2N...22+.
 112 e1e2N...9+..
 113 e1e2O...14+.
 114 e1e2O...4+..
 115 e1e2S...20+.
 116 e1e2S...5+..
 117 e1e2S...8+..
 118 e1e2S...9+..
 119 p2p3C...12+.
 120 p2p3I...0+..
 121 p2p3I...1+..
 122 p2p3Ge..1+..
 123 p2p3O...0+..
 124 p2p3S...1+..
 125 p2p3S...2+..
 126 s2s3C...20+.
 127 s2s3C...22+.
 128 s2s3C...23+.
 129 s2s3C...24+.
 130 s2s3Br..2+..
 131 s2s3I...0+..
 132 s2s3I...1+..
 133 s2s3I...2+..
 134 s2s3I...5+..
 135 s2s3Ge..1+..
 136 s2s3N...12+.
 137 s2s3N...15+.
 138 s2s3N...4+..
 139 s2s3N...5+..
 140 s2s3O...0+..
 141 s2s3S...1+..
 142 s2s3S...10+.
 143 s2s3S...3+..
 144 x...1...S...
 145 x...2...3...
 146 x...2...N...
 147 x...C...O...
 148 x...N...C...
 149 x...O...1...
 150 x...[...2...
 151 y...S.......
 152 y...S...=...
