0 mol 5 unq 0 iso 0 dist 8.89306 3.81534 6.14476 10.9887 4.70478 8.34817 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.80897 4.28862 7.98005 12.5406 7.11305 8.97754 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.37225 5.34503 7.98005 12.0533 7.11305 8.97754 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.78892 9.30664 9.99939 12.4084 7.7766 7.34832 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.30722 9.57959 7.68478 15.4269 10.0309 8.50003 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 9.30722 9.57959 7.68478 15.6463 10.622 7.00717 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 9.86627 10.7471 9.45756 14.0869 12.3186 5.4713 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.0139 4.15002 5.25027 8.4416 5.80367 7.92114 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.0139 4.15002 5.25027 7.79538 10.1442 8.18375 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.00727 5.24671 6.09063 9.1813 5.76063 6.76852 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.00727 5.24671 6.09063 4.73115 4.63567 4.94473 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.41715 3.60864 7.48734 8.18217 4.67135 7.0961 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 8.41715 3.60864 7.48734 5.51167 13.2594 8.21227 numMergedOcc 0
13 mol 168 unq 2 iso 0 dist 8.41715 3.60864 7.48734 9.35431 11.6594 6.53038 numMergedOcc 0
14 mol 168 unq 3 iso 0 dist 7.79893 3.60864 5.6125 8.18217 9.87321 7.0961 numMergedOcc 0
15 mol 168 unq 4 iso 0 dist 7.79893 3.60864 5.6125 5.51167 10.7557 8.21227 numMergedOcc 0
16 mol 168 unq 5 iso 0 dist 7.79893 3.60864 5.6125 9.35431 5.16335 6.53038 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.94789 10.5366 9.31158 11.034 8.97813 7.68686 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 6.23932 9.27501 9.31158 9.79826 8.97813 7.68686 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 4.81916 9.21484 4.9764 6.42951 3.97543 5.13533 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 6.84604 4.53664 5.35705 10.7547 10.0918 7.56691 numMergedOcc 0
