0 mol 7 unq 0 iso 0 dist 8.81871 16.368 8.0166 13.0511 5.70161 6.22805 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.71959 16.368 9.32945 13.0511 4.57188 6.22805 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.37509 4.11115 9.00925 8.76702 5.7343 8.89145 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.37509 4.11115 9.00925 6.27477 11.3728 6.92865 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 6.69294 10.2428 7.66311 9.90483 7.00835 8.91266 numMergedOcc 0
5 mol 14 unq 1 iso 0 dist 5.35021 9.04499 7.66311 11.9982 7.00835 8.91266 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.91858 12.7633 9.27355 12.5553 9.76331 4.24428 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.91858 12.7633 9.27355 12.0936 5.44275 6.30194 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 7.5442 12.7633 8.60363 12.5553 10.4402 4.24428 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 7.5442 12.7633 8.60363 12.0936 8.0624 6.30194 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.07051 6.19687 6.60356 14.1058 14.3495 9.57498 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 8.25442 11.0509 7.9663 16.8046 9.97628 9.05626 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 7.01007 8.21784 8.6609 7.04318 6.15969 6.73365 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 7.01007 8.21784 8.6609 11.9173 11.0866 9.45659 numMergedOcc 0
14 mol 175 unq 2 iso 0 dist 7.01007 8.21784 8.6609 15.7216 13.5907 9.44856 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.87789 6.94426 7.02662 13.1927 6.3719 6.99623 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.87835 7.45619 6.24111 7.19917 5.82028 8.07523 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 8.87835 4.70332 9.00343 7.19917 5.82028 7.56882 numMergedOcc 0
18 mol 210 unq 2 iso 0 dist 9.54076 9.42733 6.24111 14.9023 5.82028 8.07523 numMergedOcc 0
19 mol 210 unq 3 iso 0 dist 9.54076 13.6553 9.00343 14.9023 5.82028 7.56882 numMergedOcc 0
20 mol 210 unq 4 iso 0 dist 8.93859 7.45619 8.60412 7.19917 4.62641 8.07523 numMergedOcc 0
21 mol 210 unq 5 iso 0 dist 8.93859 4.70332 7.05535 7.19917 4.62641 7.56882 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 7.03223 4.36623 7.35148 7.96424 10.48 7.30244 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 7.03223 4.36623 7.35148 5.40366 5.23846 7.29796 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.73616 9.41461 9.08719 7.69537 7.85135 7.04127 numMergedOcc 0
25 mol 231 unq 0 iso 0 dist 9.16488 6.17101 7.28719 8.17766 5.3251 9.98232 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 8.99792 7.14491 9.174 8.62971 4.86437 6.40592 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 9.68049 4.06429 8.38141 11.1859 7.64126 8.60184 numMergedOcc 0
28 mol 250 unq 1 iso 0 dist 8.19924 4.06429 5.08366 11.1859 5.03985 8.60184 numMergedOcc 0
29 mol 250 unq 2 iso 0 dist 8.01457 4.06429 8.18086 11.1859 8.69877 8.60184 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 9.97669 11.7587 4.03921 4.96568 5.11366 7.54805 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 8.85653 8.89193 8.57035 8.27977 6.03718 5.17586 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 9.40138 5.64349 7.93511 7.70229 4.58403 6.84554 numMergedOcc 0
33 mol 282 unq 1 iso 0 dist 9.40138 5.64349 7.93511 7.90792 5.04235 9.51581 numMergedOcc 0
