0 mol 8 unq 0 iso 0 dist 7.58816 4.97265 5.41248 9.36227 3.69663 5.38703 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 7.21183 7.66861 7.5169 12.0349 11.2691 9.38983 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 8.54108 9.50033 8.53135 13.5144 5.28538 9.99467 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.65602 12.428 9.46895 13.3835 9.43074 5.07106 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 8.35366 7.794 8.47518 12.9442 6.3575 9.17447 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 8.69829 9.3469 8.47518 12.5723 6.3575 9.17447 numMergedOcc 0
6 mol 46 unq 0 iso 0 dist 5.76869 3.98752 8.32948 9.14996 7.35107 8.18251 numMergedOcc 0
7 mol 46 unq 1 iso 0 dist 5.76869 7.08886 7.43338 9.14996 7.35107 5.02642 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 8.34361 14.1632 6.29755 15.2379 9.11627 9.70196 numMergedOcc 0
9 mol 54 unq 1 iso 0 dist 8.34361 15.4599 7.4038 15.2379 9.11627 9.25341 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 7.36255 4.20743 9.44388 9.49487 4.58417 9.94756 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 9.91313 12.5852 7.77128 15.5684 5.78327 9.2228 numMergedOcc 0
12 mol 61 unq 1 iso 0 dist 9.19382 7.38136 8.3814 14.4823 9.4996 7.94667 numMergedOcc 0
13 mol 99 unq 0 iso 0 dist 7.09617 4.95662 4.82346 8.81282 5.36117 5.61946 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 9.79739 4.45483 8.88401 10.429 13.9402 8.75165 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 7.49276 5.49557 9.06599 6.91762 6.16281 8.02356 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 9.13184 4.20708 5.50879 9.75249 6.8863 5.96301 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 7.27593 4.20708 6.69157 9.75249 7.61274 5.96301 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 9.75562 5.88863 4.59484 14.3333 7.47696 9.1056 numMergedOcc 0
19 mol 172 unq 0 iso 0 dist 9.41172 12.2355 7.77643 16.311 8.4248 8.03804 numMergedOcc 0
20 mol 172 unq 1 iso 0 dist 8.2809 12.2355 4.90175 16.311 8.74106 8.03804 numMergedOcc 0
21 mol 173 unq 0 iso 0 dist 4.93595 5.64974 8.44321 10.0903 11.8927 6.60418 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 5.83646 5.64173 7.75366 7.82564 5.12308 5.83514 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 7.30582 8.94039 8.00841 13.0579 6.26153 9.55645 numMergedOcc 0
24 mol 247 unq 0 iso 0 dist 7.85081 8.17977 8.64941 8.67304 8.53302 9.21409 numMergedOcc 0
25 mol 247 unq 1 iso 0 dist 7.85081 8.17977 8.64941 13.8661 9.26852 9.17812 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 8.52434 14.6432 8.59384 14.4826 6.8934 9.88044 numMergedOcc 0
27 mol 250 unq 1 iso 0 dist 8.63767 16.6108 8.59384 12.728 6.8934 9.88044 numMergedOcc 0
28 mol 256 unq 0 iso 0 dist 8.88264 4.47286 9.92947 7.14598 4.19031 9.99628 numMergedOcc 0
29 mol 271 unq 0 iso 0 dist 8.54162 5.60228 5.76281 11.6599 5.03107 6.96986 numMergedOcc 0
30 mol 276 unq 0 iso 0 dist 9.51947 5.20175 5.54217 10.605 6.22718 9.51555 numMergedOcc 0
31 mol 276 unq 1 iso 0 dist 8.9021 4.13451 5.54217 11.3633 6.22718 9.51555 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 9.69083 14.2956 6.93798 16.7494 7.50871 5.90728 numMergedOcc 0
33 mol 283 unq 1 iso 0 dist 5.96202 4.01355 6.93798 8.36393 7.50871 5.90728 numMergedOcc 0
34 mol 283 unq 2 iso 0 dist 9.55068 9.29592 6.93798 14.2718 7.50871 5.90728 numMergedOcc 0
