0 mol 52 unq 0 iso 0 dist 7.68916 5.20613 5.26018 9.04053 6.31696 5.09324 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.68916 12.9528 7.1203 9.04053 6.31696 10.4823 numMergedOcc 0
2 mol 52 unq 2 iso 0 dist 7.47417 9.16378 5.26018 11.8458 6.31696 5.09324 numMergedOcc 0
3 mol 52 unq 3 iso 0 dist 7.47417 9.86407 7.1203 11.8458 6.31696 10.4823 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 7.28711 13.5349 9.00902 9.98867 5.73743 8.07487 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 5.09688 8.20567 8.92577 6.29383 7.38135 5.48646 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 5.09688 5.65432 9.56324 6.29383 7.38135 11.0196 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 9.26343 10.4985 8.92577 10.728 7.38135 5.48646 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 9.26343 6.03516 9.56324 10.728 7.38135 11.0196 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.59784 7.11469 8.62648 8.66162 6.52773 9.25614 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.59784 7.11469 8.62648 6.71925 9.23858 5.53673 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 8.38646 8.9635 6.03557 6.24872 7.73435 6.46489 numMergedOcc 0
12 mol 125 unq 1 iso 0 dist 8.38646 8.9635 6.03557 10.4668 9.3778 8.27647 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.99089 9.32667 5.57904 10.0674 7.80532 12.4426 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 9.75558 5.38959 9.47675 9.62363 9.97343 9.00056 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 7.80643 11.1371 9.19499 11.7605 9.44367 5.02458 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 7.80643 11.1371 9.19499 5.95655 9.47433 15.8724 numMergedOcc 0
17 mol 159 unq 0 iso 0 dist 7.78695 6.34823 7.47975 9.00075 9.17787 4.02361 numMergedOcc 0
18 mol 159 unq 1 iso 0 dist 7.78695 6.34823 7.47975 11.6088 8.4858 9.90351 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 6.82881 9.1852 9.75141 5.50169 8.14332 10.9044 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.2527 11.2481 5.67917 10.0472 7.57812 5.11183 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.2527 11.2481 5.67917 10.0651 8.69104 6.32646 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 9.29203 14.3786 5.67917 13.6806 7.57812 5.11183 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 9.29203 14.3786 5.67917 16.2617 8.69104 6.32646 numMergedOcc 0
