0 mol 18 unq 0 iso 0 dist 9.57724 9.74802 14.9166 5.79003 14.8069 8.09187 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 6.18227 6.90375 4.5008 6.75769 6.18007 9.84521 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.5448 8.70934 6.00133 3.24351 5.78231 5.9972 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.77613 8.23162 4.6013 4.61111 7.68019 8.61815 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 9.74183 7.20197 4.47299 4.09734 11.1615 7.23219 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 9.19217 8.00967 5.47751 9.67906 13.3932 9.28732 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.16474 7.77845 12.4092 10.3632 13.2408 5.45882 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.16474 7.77845 12.4092 9.86085 15.1634 4.57487 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.42321 8.82363 15.4277 10.39 16.564 6.40751 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.55143 8.82363 12.3074 10.39 12.5076 6.40751 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 4.35548 8.82363 9.581 10.39 12.7589 6.40751 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 7.5024 5.76702 9.581 8.89934 12.7589 6.40751 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 9.47429 7.88785 6.767 5.76262 10.9908 9.23589 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 9.47429 7.88785 6.767 4.09924 12.1569 9.22196 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 7.06005 6.47176 4.54201 5.25264 9.7293 9.67312 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 5.00508 9.33636 7.2107 8.28284 5.79883 6.16848 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 8.34798 9.73021 6.19462 11.3904 12.9764 8.08777 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 8.91236 9.19369 12.9748 9.98034 11.0634 9.28024 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 7.69551 9.00987 12.6946 4.38276 11.7457 8.8385 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 6.14231 6.61098 6.08436 11.3526 6.67548 8.56867 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 6.14231 6.61098 6.08436 8.93485 5.57579 6.29872 numMergedOcc 0
21 mol 264 unq 2 iso 0 dist 4.68488 6.25794 6.08436 6.26054 6.67548 8.56867 numMergedOcc 0
22 mol 264 unq 3 iso 0 dist 4.68488 6.25794 6.08436 3.81537 5.57579 6.29872 numMergedOcc 0
