0 mol 24 unq 0 iso 0 dist 8.11143 10.9683 9.41655 12.0678 7.02381 9.69752 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.11143 10.9683 9.41655 13.3947 14.1137 9.36461 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.65754 10.6642 9.65174 8.3964 9.63925 4.90592 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.65754 10.6642 9.65174 15.1953 12.5427 8.16324 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.85386 16.3451 8.59337 20.4459 12.1293 7.62738 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.01266 5.00872 7.87729 6.6186 4.15826 8.57827 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.01266 5.00872 7.87729 12.0543 10.1482 7.94453 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.4113 9.20674 6.4569 4.86767 3.67473 7.42482 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 8.53631 12.0204 6.4569 12.0984 3.67473 7.42482 numMergedOcc 0
9 mol 151 unq 0 iso 0 dist 9.00461 12.9059 9.06016 13.2705 11.8889 4.74531 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.09561 5.49264 5.42715 8.49831 5.83776 5.06613 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 9.07315 5.49264 9.70575 8.49831 11.2086 5.06613 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 9.27714 13.2326 8.06621 16.914 9.64397 6.76055 numMergedOcc 0
13 mol 158 unq 1 iso 0 dist 9.27714 13.2326 8.06621 13.871 5.16839 9.36343 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.88912 7.6506 9.56342 9.31025 6.17752 7.14263 numMergedOcc 0
15 mol 162 unq 1 iso 0 dist 9.88912 7.6506 9.56342 14.0308 8.7961 8.57005 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 6.55146 13.9827 9.19506 18.3414 11.8933 8.43933 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 9.13587 10.0471 7.06636 13.1215 6.18551 9.41624 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 7.56217 10.3444 5.13892 5.4455 3.7326 6.37788 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 7.56217 14.1482 8.2232 5.4455 3.7326 8.7028 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 9.81055 10.3444 5.78717 5.4455 7.29209 6.37788 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 7.96463 9.6989 8.95728 13.6876 8.24055 7.74683 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 8.01593 5.02022 6.31092 12.4339 9.70239 8.34416 numMergedOcc 0
23 mol 230 unq 1 iso 0 dist 8.01593 5.02022 6.31092 8.85051 6.2222 6.34832 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 9.09279 11.8314 8.38453 10.4743 3.99887 7.39391 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 6.93942 4.60689 6.3738 9.29788 5.68255 8.15091 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 9.31626 9.18036 6.3738 9.50983 5.68255 8.15091 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 8.23073 11.0953 6.11157 12.0904 3.96862 6.82575 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 6.90472 9.2012 4.64695 10.4828 7.28821 7.99521 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 6.5515 7.42631 9.9322 12.0446 9.21292 8.53065 numMergedOcc 0
30 mol 282 unq 1 iso 0 dist 6.5515 7.42631 9.9322 15.3712 17.93 8.67489 numMergedOcc 0
