0 mol 11 unq 0 iso 0 dist 5.47299 10.0791 6.84216 12.6523 9.81983 10.7734 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.70325 5.71065 7.98005 5.60332 9.82851 10.797 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.70325 5.71065 7.98005 7.30207 9.11311 10.9837 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 9.28621 7.26052 8.95154 11.6018 5.19518 8.4285 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 8.94643 6.23081 8.95154 7.07919 5.19518 8.4285 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 8.36195 10.3067 8.95154 12.4701 5.19518 8.4285 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.33736 9.07666 9.23438 4.92118 6.41008 10.2049 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.33736 5.93193 7.17488 4.92118 6.41008 5.49591 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.33736 5.72191 6.79356 4.92118 6.41008 5.85698 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.67342 7.96997 7.69926 16.5181 9.13593 10.6804 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 8.60062 7.96997 5.85237 16.5181 8.25144 10.6804 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 8.60062 14.6422 9.11768 16.5181 8.25144 6.85929 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 5.73739 9.51195 7.69926 11.9312 9.13593 10.6804 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 5.16225 9.51195 5.85237 11.9312 8.25144 10.6804 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 5.16225 14.228 9.11768 11.9312 8.25144 6.85929 numMergedOcc 0
15 mol 157 unq 0 iso 0 dist 9.46735 6.91388 8.10592 10.4695 9.36663 9.7351 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 7.50005 6.90449 7.86092 9.94001 8.34477 8.77113 numMergedOcc 0
17 mol 188 unq 1 iso 0 dist 7.50005 6.90449 7.86092 5.01686 8.4784 10.5721 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 9.21286 13.5618 7.13783 5.00854 7.75318 9.55992 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 9.49634 11.8163 4.80903 9.83915 4.36333 5.28793 numMergedOcc 0
20 mol 256 unq 1 iso 0 dist 9.49634 11.8163 4.80903 8.66329 6.96483 4.99672 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 6.90511 5.2574 6.76495 9.25159 7.08328 4.66802 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 6.90511 7.48984 5.4557 9.25159 7.08328 6.93678 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 7.14871 4.25662 8.24356 5.52134 9.41212 6.18925 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 9.39268 7.85489 5.50053 13.4239 6.18742 11.6729 numMergedOcc 0
25 mol 281 unq 1 iso 0 dist 9.06888 8.21418 5.50053 13.4274 6.18742 11.6729 numMergedOcc 0
26 mol 281 unq 2 iso 0 dist 6.62682 8.21418 7.33334 13.4274 6.8089 11.6729 numMergedOcc 0
