0 mol 30 unq 0 iso 0 dist 6.98108 5.30048 9.27081 4.63188 8.28218 9.75637 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.98108 5.30048 9.27081 8.90599 8.10811 6.56837 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 5.8101 4.64851 9.32771 7.08162 5.31095 7.89865 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 9.68359 10.652 6.60331 5.20579 9.60854 7.15495 numMergedOcc 0
4 mol 110 unq 1 iso 0 dist 9.68359 17.2803 9.22311 5.20579 9.60854 14.6858 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 7.08664 8.892 8.10448 4.58282 7.39112 5.49724 numMergedOcc 0
6 mol 159 unq 0 iso 0 dist 9.10204 8.60459 6.32159 7.41083 9.46535 8.0487 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 6.50723 9.90087 6.32146 5.5435 5.60333 5.02061 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 6.50723 9.90087 6.32146 6.27598 5.58647 6.40668 numMergedOcc 0
9 mol 176 unq 2 iso 0 dist 6.50723 9.90087 6.32146 4.60306 8.5733 10.3398 numMergedOcc 0
10 mol 230 unq 0 iso 0 dist 7.07973 4.57675 9.0813 10.5205 8.46558 13.9138 numMergedOcc 0
11 mol 230 unq 1 iso 0 dist 7.07973 4.57675 9.0813 10.371 9.96417 14.6682 numMergedOcc 0
12 mol 230 unq 2 iso 0 dist 7.07973 4.57675 9.0813 11.8908 9.28671 15.1309 numMergedOcc 0
13 mol 230 unq 3 iso 0 dist 7.07973 7.29701 5.94606 10.5205 8.46558 11.0218 numMergedOcc 0
14 mol 230 unq 4 iso 0 dist 7.07973 7.29701 5.94606 10.371 9.96417 5.80474 numMergedOcc 0
15 mol 230 unq 5 iso 0 dist 7.07973 7.29701 5.94606 11.8908 9.28671 4.65404 numMergedOcc 0
16 mol 230 unq 6 iso 0 dist 6.0847 10.7974 9.0813 6.84726 8.46558 13.9138 numMergedOcc 0
17 mol 230 unq 7 iso 0 dist 6.0847 10.7974 9.0813 4.87075 9.96417 14.6682 numMergedOcc 0
18 mol 230 unq 8 iso 0 dist 6.0847 10.7974 9.0813 7.68924 9.28671 15.1309 numMergedOcc 0
19 mol 230 unq 9 iso 0 dist 6.0847 4.74715 5.94606 6.84726 8.46558 11.0218 numMergedOcc 0
20 mol 230 unq 10 iso 0 dist 6.0847 4.74715 5.94606 4.87075 9.96417 5.80474 numMergedOcc 0
21 mol 230 unq 11 iso 0 dist 6.0847 4.74715 5.94606 7.68924 9.28671 4.65404 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 6.27699 9.65708 7.98028 12.5507 8.27566 5.6683 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 6.27699 10.4505 5.8473 12.5507 8.27566 5.82277 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 7.27463 9.26294 9.00426 4.72887 7.8647 11.1348 numMergedOcc 0
25 mol 282 unq 0 iso 0 dist 7.36206 8.66293 8.76788 4.58479 7.89625 10.9871 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 6.97686 8.61055 7.97266 12.7432 7.8605 12.3871 numMergedOcc 0
27 mol 285 unq 1 iso 0 dist 6.97686 11.5568 8.89057 12.7432 7.8605 6.3912 numMergedOcc 0
