0 mol 7 unq 0 iso 0 dist 6.10226 8.88982 5.70161 10.5313 8.0166 6.22805 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.80034 8.88982 4.57188 6.73272 9.67498 13.9815 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.80034 8.88982 4.57188 10.5313 9.32945 6.22805 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.83056 8.88982 6.09254 10.5313 9.90117 6.22805 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 7.98333 9.70612 5.39129 10.6088 5.86243 7.57586 numMergedOcc 0
5 mol 38 unq 1 iso 0 dist 7.98333 9.70612 5.39129 5.39032 7.55357 11.7939 numMergedOcc 0
6 mol 38 unq 2 iso 0 dist 7.98333 6.46781 5.29179 10.6088 5.86243 10.3065 numMergedOcc 0
7 mol 38 unq 3 iso 0 dist 7.98333 6.46781 5.29179 5.39032 7.55357 8.86547 numMergedOcc 0
8 mol 38 unq 4 iso 0 dist 7.98333 8.19077 9.58231 10.6088 5.86243 15.0046 numMergedOcc 0
9 mol 38 unq 5 iso 0 dist 7.98333 8.19077 9.58231 5.39032 7.55357 8.80956 numMergedOcc 0
10 mol 55 unq 0 iso 0 dist 6.71884 9.95691 10.9362 4.13365 9.30367 10.0102 numMergedOcc 0
11 mol 55 unq 1 iso 0 dist 6.71884 9.95691 10.9362 12.3731 6.67079 17.3555 numMergedOcc 0
12 mol 55 unq 2 iso 0 dist 8.29508 7.74108 5.83044 10.1034 7.14636 11.1405 numMergedOcc 0
13 mol 55 unq 3 iso 0 dist 8.29508 7.74108 5.83044 5.48883 9.53303 11.9016 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 9.83976 6.40792 12.1389 5.14081 8.05043 10.3007 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 9.83634 9.03632 18.1743 11.799 7.07348 20.8028 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.02183 8.80581 5.16386 7.11843 6.47689 9.63295 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.14413 7.86668 5.82028 12.3207 6.24111 8.07523 numMergedOcc 0
18 mol 210 unq 1 iso 0 dist 8.14413 7.86668 5.82028 12.2935 9.00343 7.56882 numMergedOcc 0
19 mol 210 unq 2 iso 0 dist 8.14413 7.86668 5.82028 9.89233 6.41444 10.5902 numMergedOcc 0
20 mol 217 unq 0 iso 0 dist 9.62606 7.52229 5.42652 10.9243 6.01666 9.90668 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.98518 9.23844 6.80494 9.07015 8.98362 9.85951 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 6.86905 6.51823 7.22173 5.98533 5.33462 8.89538 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 7.76984 6.92721 11.4465 4.95913 8.34832 9.27989 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 8.42116 8.95261 5.86413 15.8732 8.98346 12.9934 numMergedOcc 0
25 mol 257 unq 1 iso 0 dist 8.53984 7.80336 5.86413 14.5073 8.98346 12.9934 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.8726 5.31858 9.22664 4.69752 7.70189 8.81059 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 8.8726 5.71851 13.0489 4.69752 7.70189 9.12006 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 8.13376 8.69345 14.41 15.4511 8.91916 18.2542 numMergedOcc 0
29 mol 271 unq 0 iso 0 dist 8.98817 7.06108 11.7346 10.1974 8.07242 16.3513 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 5.72197 7.34596 4.58403 5.5267 7.93511 6.84554 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 5.72197 7.12228 5.04235 5.5267 7.93511 9.51581 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 5.78449 9.21922 6.25168 5.96063 7.88405 13.1699 numMergedOcc 0
