0 mol 64 unq 0 iso 0 dist 8.52643 7.59945 5.45684 9.75299 4.78627 7.66372 5.76037 5.41357 5.65551 9.30042 numMergedOcc 0
1 mol 64 unq 0 iso 1 dist 9.30042 5.65551 7.66372 5.41357 4.78627 5.45684 5.76037 9.75299 7.59945 8.52643 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.52643 13.3239 7.76644 9.75299 4.78627 9.99743 5.76037 5.41357 9.81422 9.30042 numMergedOcc 0
3 mol 64 unq 1 iso 1 dist 9.30042 9.81422 9.99743 5.41357 4.78627 7.76644 5.76037 9.75299 13.3239 8.52643 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 5.41357 5.65551 5.45684 9.30042 4.78627 7.66372 5.76037 8.52643 7.59945 9.75299 numMergedOcc 0
5 mol 64 unq 2 iso 1 dist 9.75299 7.59945 7.66372 8.52643 4.78627 5.45684 5.76037 9.30042 5.65551 5.41357 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 5.41357 9.81422 7.76644 9.30042 4.78627 9.99743 5.76037 8.52643 13.3239 9.75299 numMergedOcc 0
7 mol 64 unq 3 iso 1 dist 9.75299 13.3239 9.99743 8.52643 4.78627 7.76644 5.76037 9.30042 9.81422 5.41357 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 7.51967 6.72978 9.25638 6.04303 4.29326 8.01856 5.55985 9.79696 6.39609 6.12267 numMergedOcc 0
9 mol 67 unq 0 iso 1 dist 6.12267 6.39609 8.01856 9.79696 4.29326 9.25638 5.55985 6.04303 6.72978 7.51967 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 7.51967 6.72978 9.25638 6.04303 4.29326 8.01856 10.6111 10.7873 6.22963 8.27009 numMergedOcc 0
11 mol 67 unq 1 iso 1 dist 8.27009 6.22963 8.01856 10.7873 4.29326 9.25638 10.6111 6.04303 6.72978 7.51967 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 9.13339 5.90456 6.55217 11.3016 5.17212 7.21686 8.73614 7.60956 5.00766 9.9171 numMergedOcc 0
13 mol 140 unq 0 iso 1 dist 9.9171 5.00766 7.21686 7.60956 5.17212 6.55217 8.73614 11.3016 5.90456 9.13339 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 6.23677 8.8161 8.96263 10.0534 5.19836 7.35677 5.92863 7.31608 3.92881 7.96226 numMergedOcc 0
15 mol 224 unq 0 iso 1 dist 7.96226 3.92881 7.35677 7.31608 5.19836 8.96263 5.92863 10.0534 8.8161 6.23677 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 6.23677 8.8161 8.96263 10.0534 5.19836 7.35677 14.5307 10.6574 11.6942 8.82663 numMergedOcc 0
17 mol 224 unq 1 iso 1 dist 8.82663 11.6942 7.35677 10.6574 5.19836 8.96263 14.5307 10.0534 8.8161 6.23677 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 9.04741 9.46987 8.96263 11.9839 5.19836 7.35677 5.57847 7.31608 3.92881 7.96226 numMergedOcc 0
19 mol 224 unq 2 iso 1 dist 7.96226 3.92881 7.35677 7.31608 5.19836 8.96263 5.57847 11.9839 9.46987 9.04741 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 9.04741 9.46987 8.96263 11.9839 5.19836 7.35677 12.8674 10.6574 11.6942 8.82663 numMergedOcc 0
21 mol 224 unq 3 iso 1 dist 8.82663 11.6942 7.35677 10.6574 5.19836 8.96263 12.8674 11.9839 9.46987 9.04741 numMergedOcc 0
22 mol 224 unq 4 iso 0 dist 7.31608 3.92881 8.96263 7.96226 5.19836 7.35677 10.9623 10.6574 11.6942 8.82663 numMergedOcc 0
23 mol 224 unq 4 iso 1 dist 8.82663 11.6942 7.35677 10.6574 5.19836 8.96263 10.9623 7.96226 3.92881 7.31608 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.10903 5.79358 8.73425 7.25618 5.31174 9.65711 7.64421 11.866 7.88062 8.70193 numMergedOcc 0
25 mol 258 unq 0 iso 1 dist 8.70193 7.88062 9.65711 11.866 5.31174 8.73425 7.64421 7.25618 5.79358 8.10903 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 7.58385 6.29331 8.25759 6.0437 5.29945 6.99444 4.70691 9.25991 6.40309 4.85199 numMergedOcc 0
27 mol 261 unq 0 iso 1 dist 4.85199 6.40309 6.99444 9.25991 5.29945 8.25759 4.70691 6.0437 6.29331 7.58385 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 7.58385 6.29331 8.25759 6.0437 5.29945 6.99444 9.51335 12.7905 5.91745 9.13604 numMergedOcc 0
29 mol 261 unq 1 iso 1 dist 9.13604 5.91745 6.99444 12.7905 5.29945 8.25759 9.51335 6.0437 6.29331 7.58385 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 8.54984 6.0405 8.30313 6.04225 5.72971 6.51248 4.79603 10.1355 6.38947 5.00258 numMergedOcc 0
31 mol 282 unq 0 iso 1 dist 5.00258 6.38947 6.51248 10.1355 5.72971 8.30313 4.79603 6.04225 6.0405 8.54984 numMergedOcc 0
32 mol 282 unq 1 iso 0 dist 8.54984 6.0405 8.30313 6.04225 5.72971 6.51248 9.24679 12.5071 5.98603 8.22117 numMergedOcc 0
33 mol 282 unq 1 iso 1 dist 8.22117 5.98603 6.51248 12.5071 5.72971 8.30313 9.24679 6.04225 6.0405 8.54984 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 5.15923 11.7624 9.30394 11.2356 8.60638 8.5458 10.6227 10.9141 14.0575 7.14859 numMergedOcc 0
35 mol 287 unq 0 iso 1 dist 7.14859 14.0575 8.5458 10.9141 8.60638 9.30394 10.6227 11.2356 11.7624 5.15923 numMergedOcc 0
36 mol 287 unq 1 iso 0 dist 5.15923 5.58788 5.84467 11.2356 8.60638 8.56533 10.6227 10.9141 10.6005 7.14859 numMergedOcc 0
37 mol 287 unq 1 iso 1 dist 7.14859 10.6005 8.56533 10.9141 8.60638 5.84467 10.6227 11.2356 5.58788 5.15923 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 5.15923 11.7624 9.30394 11.2356 8.60638 8.5458 10.6227 10.9141 14.0575 7.14859 numMergedOcc 0
39 mol 288 unq 0 iso 1 dist 7.14859 14.0575 8.5458 10.9141 8.60638 9.30394 10.6227 11.2356 11.7624 5.15923 numMergedOcc 0
40 mol 288 unq 1 iso 0 dist 5.15923 5.58788 5.84467 11.2356 8.60638 8.56533 10.6227 10.9141 10.6005 7.14859 numMergedOcc 0
41 mol 288 unq 1 iso 1 dist 7.14859 10.6005 8.56533 10.9141 8.60638 5.84467 10.6227 11.2356 5.58788 5.15923 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 5.15923 11.7624 9.30394 11.2356 8.60638 8.5458 10.6227 10.9141 14.0575 7.14859 numMergedOcc 0
43 mol 289 unq 0 iso 1 dist 7.14859 14.0575 8.5458 10.9141 8.60638 9.30394 10.6227 11.2356 11.7624 5.15923 numMergedOcc 0
44 mol 289 unq 1 iso 0 dist 5.15923 5.58788 5.84467 11.2356 8.60638 8.56533 10.6227 10.9141 10.6005 7.14859 numMergedOcc 0
45 mol 289 unq 1 iso 1 dist 7.14859 10.6005 8.56533 10.9141 8.60638 5.84467 10.6227 11.2356 5.58788 5.15923 numMergedOcc 0
