0 mol 0 unq 0 iso 0 dist 8.82108 8.90148 6.49002 7.55723 5.13216 5.16658 4.18909 5.83173 8.903 6.80636 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.90148 8.82108 6.49002 7.55723 5.16658 5.13216 4.18909 8.903 5.83173 6.80636 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.3147 9.79426 17.1338 7.84393 10.5285 9.84922 6.31174 14.6162 9.04865 8.73972 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 9.79426 9.3147 17.1338 7.84393 9.84922 10.5285 6.31174 9.04865 14.6162 8.73972 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.36915 6.01454 8.29103 5.36645 8.03277 9.26483 4.16088 10.2994 9.18584 8.09058 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 6.01454 8.36915 8.29103 5.36645 9.26483 8.03277 4.16088 9.18584 10.2994 8.09058 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.14932 6.17846 8.91253 8.66921 9.82646 5.33496 11.75 17.231 9.82635 8.68586 numMergedOcc 0
7 mol 64 unq 0 iso 1 dist 6.17846 8.14932 8.91253 8.66921 5.33496 9.82646 11.75 9.82635 17.231 8.68586 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 4.24428 8.04817 9.76331 5.14919 6.4154 9.51458 5.64598 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 5.14919 9.51458 6.4154 5.64598 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 6.30194 5.2774 5.44275 5.14919 6.4154 9.51458 4.65521 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 5.14919 9.51458 6.4154 4.65521 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 5.39171 8.60363 5.05066 4.24428 8.04817 10.4402 5.14919 6.4154 10.9127 5.64598 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 8.60363 5.39171 5.05066 4.24428 10.4402 8.04817 5.14919 10.9127 6.4154 5.64598 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 5.39171 8.60363 5.05066 6.30194 5.2774 8.0624 5.14919 6.4154 10.9127 4.65521 numMergedOcc 0
15 mol 73 unq 3 iso 1 dist 8.60363 5.39171 5.05066 6.30194 8.0624 5.2774 5.14919 10.9127 6.4154 4.65521 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 5.14919 9.51458 10.9127 5.64598 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 8.60363 9.27355 4.4628 4.24428 10.4402 9.76331 5.14919 10.9127 9.51458 5.64598 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 5.14919 9.51458 10.9127 4.65521 numMergedOcc 0
19 mol 73 unq 3 iso 1 dist 8.60363 9.27355 4.4628 6.30194 8.0624 5.44275 5.14919 10.9127 9.51458 4.65521 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 8.6609 6.21546 6.77498 6.73365 6.15969 5.50014 7.92448 12.2829 12.616 9.0664 numMergedOcc 0
21 mol 175 unq 0 iso 1 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 7.92448 12.616 12.2829 9.0664 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 8.6609 6.03184 12.0951 6.73365 6.15969 7.28617 7.92448 12.2829 9.95921 9.0664 numMergedOcc 0
23 mol 175 unq 1 iso 1 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 7.92448 9.95921 12.2829 9.0664 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 7.92448 12.616 9.95921 9.0664 numMergedOcc 0
25 mol 175 unq 1 iso 1 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 7.92448 9.95921 12.616 9.0664 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 8.47248 4.82712 7.84001 15.9026 6.35728 14.4364 8.60247 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 7.25293 9.81136 9.46821 8.47248 7.84001 4.82712 15.9026 14.4364 6.35728 8.60247 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 6.6537 9.08719 11.6002 7.04127 6.46679 7.85135 9.20195 9.04427 15.1149 8.19953 numMergedOcc 0
29 mol 224 unq 0 iso 1 dist 9.08719 6.6537 11.6002 7.04127 7.85135 6.46679 9.20195 15.1149 9.04427 8.19953 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.74214 5.33462 4.85921 8.89538 10.4952 7.22173 13.2905 14.0108 9.75691 6.77463 numMergedOcc 0
31 mol 238 unq 0 iso 1 dist 5.33462 6.74214 4.85921 8.89538 7.22173 10.4952 13.2905 9.75691 14.0108 6.77463 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.74214 5.33462 4.85921 8.89538 10.4952 7.22173 10.4286 15.4111 11.8665 7.2766 numMergedOcc 0
33 mol 238 unq 1 iso 1 dist 5.33462 6.74214 4.85921 8.89538 7.22173 10.4952 10.4286 11.8665 15.4111 7.2766 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 6.08181 7.70189 9.86352 9.67877 5.09738 10.4667 13.6436 10.1492 15.2899 6.49982 numMergedOcc 0
35 mol 258 unq 0 iso 1 dist 7.70189 6.08181 9.86352 9.67877 10.4667 5.09738 13.6436 15.2899 10.1492 6.49982 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 9.56472 6.5072 10.1588 7.54805 15.4199 12.4903 8.3872 13.1262 14.5765 6.34034 numMergedOcc 0
37 mol 265 unq 0 iso 1 dist 6.5072 9.56472 10.1588 7.54805 12.4903 15.4199 8.3872 14.5765 13.1262 6.34034 numMergedOcc 0
38 mol 265 unq 1 iso 0 dist 9.56472 4.03921 13.1954 7.54805 15.4199 5.11366 8.3872 13.1262 9.01586 6.34034 numMergedOcc 0
39 mol 265 unq 1 iso 1 dist 4.03921 9.56472 13.1954 7.54805 5.11366 15.4199 8.3872 9.01586 13.1262 6.34034 numMergedOcc 0
40 mol 265 unq 1 iso 0 dist 6.5072 4.03921 7.82127 7.54805 12.4903 5.11366 8.3872 14.5765 9.01586 6.34034 numMergedOcc 0
41 mol 265 unq 1 iso 1 dist 4.03921 6.5072 7.82127 7.54805 5.11366 12.4903 8.3872 9.01586 14.5765 6.34034 numMergedOcc 0
42 mol 272 unq 0 iso 0 dist 7.50321 9.61597 5.09845 4.78812 5.96981 6.76845 6.99865 12.5113 12.8442 6.73206 numMergedOcc 0
43 mol 272 unq 0 iso 1 dist 9.61597 7.50321 5.09845 4.78812 6.76845 5.96981 6.99865 12.8442 12.5113 6.73206 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 7.50321 9.61597 5.09845 6.62923 7.55961 5.43733 6.99865 12.5113 12.8442 9.09992 numMergedOcc 0
45 mol 272 unq 1 iso 1 dist 9.61597 7.50321 5.09845 6.62923 5.43733 7.55961 6.99865 12.8442 12.5113 9.09992 numMergedOcc 0
46 mol 272 unq 2 iso 0 dist 7.50321 9.61597 5.09845 6.62923 7.55961 5.43733 10.3424 13.6844 11.1067 6.16449 numMergedOcc 0
47 mol 272 unq 2 iso 1 dist 9.61597 7.50321 5.09845 6.62923 5.43733 7.55961 10.3424 11.1067 13.6844 6.16449 numMergedOcc 0
