0 mol 18 unq 0 iso 0 dist 8.17979 7.23594 10.6394 6.05493 12.3965 9.1397 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 8.20839 6.27528 8.8408 4.29847 11.8254 9.83836 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 8.20839 6.27528 8.8408 8.0664 9.50458 9.58351 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 10.4408 13.8371 9.93438 numMergedOcc 0
4 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 4.92712 4.821 4.42563 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 7.80819 9.2806 4.57807 4.41415 5.78493 8.2777 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 9.57623 9.79448 8.89539 10.4591 12.6869 5.39356 numMergedOcc 0
7 mol 127 unq 1 iso 0 dist 9.57623 9.79448 8.89539 12.2845 16.68 9.92746 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 10.3456 13.0474 5.77186 numMergedOcc 0
9 mol 136 unq 0 iso 0 dist 9.67457 6.53519 10.4141 4.3516 11.8366 9.92504 numMergedOcc 0
10 mol 136 unq 1 iso 0 dist 9.67457 6.53519 10.4141 4.25637 13.4351 9.96485 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 10.7652 11.7014 8.99891 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 6.89643 6.60477 6.49186 7.42753 13.2882 8.92592 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 6.89643 6.60477 6.49186 5.47812 12.2219 9.57452 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 6.36333 13.1864 6.77156 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 7.83611 5.80867 11.3233 3.69483 10.8022 7.97894 numMergedOcc 0
16 mol 198 unq 2 iso 0 dist 7.83611 5.80867 11.3233 9.0575 15.7236 8.08471 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 9.64366 9.27588 8.81953 5.83809 13.0283 8.97531 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 6.89455 7.92491 6.41403 5.91899 5.38739 9.07995 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 8.821 7.92491 4.69801 5.91899 10.5131 9.07995 numMergedOcc 0
20 mol 283 unq 2 iso 0 dist 9.82337 7.92491 13.1972 5.91899 10.1143 9.07995 numMergedOcc 0
