0 mol 7 unq 0 iso 0 dist 6.10226 8.88982 5.70161 14.0137 10.0158 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.80034 8.88982 4.57188 14.0137 10.2615 5.72491 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.83056 8.88982 6.09254 14.0137 9.80599 5.72491 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 9.69775 9.8294 17.9599 13.7035 23.1213 8.00177 numMergedOcc 0
4 mol 33 unq 1 iso 0 dist 9.01202 9.8294 15.1668 13.7035 21.1995 8.00177 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 7.98333 9.70612 5.39129 11.0716 10.115 7.57959 numMergedOcc 0
6 mol 38 unq 1 iso 0 dist 7.98333 9.70612 5.39129 5.59494 8.10697 7.05737 numMergedOcc 0
7 mol 38 unq 2 iso 0 dist 7.98333 6.46781 5.29179 5.59494 8.10697 7.54179 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 6.71884 9.95691 10.9362 10.957 16.1834 9.78051 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.80424 9.35212 6.89206 5.82395 11.0358 7.32289 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 7.95205 7.42431 4.48869 9.30538 11.8595 7.71107 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.83976 6.40792 12.1389 6.8108 14.6388 5.39064 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.59193 9.37459 13.2016 13.8158 20.5954 8.35555 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 9.83634 9.03632 18.1743 4.19444 10.5585 7.88319 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.4588 8.16369 10.591 12.1694 9.05979 7.24795 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.9678 6.04106 6.4623 10.0849 11.0156 5.60393 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 7.37405 6.15754 6.00143 14.1265 11.6644 8.24186 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 7.37405 8.9413 9.8423 14.1265 11.6644 7.5366 numMergedOcc 0
18 mol 234 unq 2 iso 0 dist 9.42966 6.6281 6.00143 14.0259 11.6644 8.24186 numMergedOcc 0
19 mol 234 unq 3 iso 0 dist 9.5831 4.91961 6.16697 8.3084 4.7359 7.5366 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 6.02845 5.99137 9.92965 10.968 14.0628 8.50331 numMergedOcc 0
21 mol 236 unq 1 iso 0 dist 9.35599 5.99137 13.9306 10.968 19.2005 8.50331 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.42116 8.95261 5.86413 14.4618 13.6304 9.95546 numMergedOcc 0
23 mol 257 unq 1 iso 0 dist 8.53984 7.80336 5.86413 10.369 13.6304 9.95546 numMergedOcc 0
24 mol 257 unq 2 iso 0 dist 9.11074 8.95261 13.8679 14.4618 22.369 9.95546 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.8726 5.31858 9.22664 11.0804 14.7484 7.99477 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.8726 5.31858 9.22664 6.65689 13.7217 7.86627 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 8.8726 5.71851 13.0489 6.65689 13.7217 7.93574 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 8.98817 7.06108 11.7346 4.87782 13.7341 9.29599 numMergedOcc 0
