0 mol 11 unq 0 iso 0 dist 9.76233 6.64342 6.84216 8.44193 4.79838 8.05213 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.91417 6.56346 8.01262 6.89739 5.67087 7.27724 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 7.30231 9.88653 9.1397 9.45185 8.09187 8.70343 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.52145 5.27705 8.91596 7.64212 5.9972 7.93694 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 8.35776 10.2135 8.91596 7.70136 5.9972 7.93694 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 8.96181 5.52874 7.4785 6.1599 5.48837 5.98837 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 8.96181 5.52874 7.4785 13.4969 9.15753 11.0512 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 8.96181 9.02602 6.39747 6.1599 5.48837 4.55117 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 8.96181 9.02602 6.39747 13.4969 9.15753 5.64209 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 5.61831 5.66392 7.61521 8.76407 8.90522 6.06861 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.61514 12.3909 7.69926 12.3084 5.61151 10.7963 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.21116 12.3909 5.85237 12.3084 6.54289 10.7963 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.21116 12.3909 5.85237 15.5542 7.52869 4.83769 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.21116 12.3909 5.85237 16.0243 9.18945 6.24888 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 8.21116 17.1393 9.11768 12.3084 6.54289 7.79293 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 8.21116 17.1393 9.11768 15.5542 7.52869 4.53268 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 8.21116 17.1393 9.11768 16.0243 9.18945 6.09332 numMergedOcc 0
17 mol 88 unq 0 iso 0 dist 8.57479 4.31214 9.07128 5.45426 6.1847 5.90098 numMergedOcc 0
18 mol 88 unq 1 iso 0 dist 5.43098 9.86323 6.65615 5.25762 4.70557 5.90098 numMergedOcc 0
19 mol 88 unq 2 iso 0 dist 5.43098 9.86323 6.65615 11.6458 9.08952 6.95868 numMergedOcc 0
20 mol 88 unq 3 iso 0 dist 5.43098 5.3018 5.07548 5.25762 4.70557 4.58465 numMergedOcc 0
21 mol 88 unq 4 iso 0 dist 5.43098 5.3018 5.07548 11.6458 9.08952 6.97239 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 5.24882 12.628 8.99891 9.73727 8.08798 5.44503 numMergedOcc 0
23 mol 154 unq 0 iso 0 dist 5.55632 10.0762 8.89394 5.33656 5.97134 5.83431 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.34927 6.29035 9.54359 6.60083 9.62597 10.7791 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 7.34927 4.83355 5.69112 6.60083 9.62597 6.58374 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 7.54315 15.7541 9.54359 10.5543 9.62597 10.7791 numMergedOcc 0
27 mol 277 unq 3 iso 0 dist 7.54315 11.2857 5.69112 10.5543 9.62597 6.58374 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 8.78416 6.83107 5.50053 13.4831 9.94612 6.82073 numMergedOcc 0
29 mol 281 unq 1 iso 0 dist 7.82358 5.22248 5.50053 6.93582 9.94612 6.82073 numMergedOcc 0
