0 mol 17 unq 0 iso 0 dist 7.9118 8.35273 9.78953 5.5951 10.7616 4.64234 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.31934 8.1717 7.31044 5.56678 9.65672 6.35779 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 9.42975 7.47607 13.0684 5.07643 6.35789 7.25138 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 9.67476 9.88566 8.43533 8.54414 8.34804 8.4702 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.68303 6.82511 5.08181 3.95228 5.73908 5.57551 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 5.14604 7.94697 4.95944 11.2863 12.6694 9.53663 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.84955 7.91691 6.01221 3.97596 10.039 8.60172 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 5.88484 9.54257 6.41552 7.85134 7.15869 8.30974 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 8.17723 7.39043 5.05766 6.24332 10.1101 7.45831 numMergedOcc 0
9 mol 236 unq 0 iso 0 dist 6.25412 8.32786 5.50882 5.5177 10.386 9.58816 numMergedOcc 0
10 mol 236 unq 1 iso 0 dist 6.25412 5.09952 7.27142 7.34037 9.26313 8.69334 numMergedOcc 0
11 mol 257 unq 0 iso 0 dist 9.91996 8.71617 17.1974 12.611 19.9329 9.82105 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 5.50553 8.95095 11.4354 12.7366 16.0474 9.60767 numMergedOcc 0
13 mol 277 unq 0 iso 0 dist 9.60879 7.34927 14.4215 9.49228 18.4834 8.72101 numMergedOcc 0
14 mol 277 unq 1 iso 0 dist 9.60879 7.34927 14.4215 11.7966 16.5458 5.11998 numMergedOcc 0
15 mol 277 unq 2 iso 0 dist 6.92271 7.34927 5.11865 9.49228 10.1701 8.72101 numMergedOcc 0
16 mol 277 unq 3 iso 0 dist 6.92271 7.34927 5.11865 11.7966 6.70414 5.11998 numMergedOcc 0
17 mol 277 unq 4 iso 0 dist 8.62666 7.54315 5.11865 16.1206 10.1701 8.72101 numMergedOcc 0
18 mol 277 unq 5 iso 0 dist 8.62666 7.54315 5.11865 7.00586 6.70414 5.11998 numMergedOcc 0
19 mol 281 unq 0 iso 0 dist 8.80931 7.82358 14.7035 12.3603 20.6341 6.82918 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 4.9851 5.64165 5.42273 4.30784 9.06731 8.19757 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 8.92737 6.82335 10.0639 5.90162 14.7778 9.64969 numMergedOcc 0
22 mol 294 unq 1 iso 0 dist 7.15278 9.14005 10.0639 8.68297 14.7778 9.64969 numMergedOcc 0
