0 mol 44 unq 0 iso 0 dist 7.20409 10.6323 9.25641 4.53848 7.61923 14.0111 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.19406 11.4401 9.14996 6.51519 7.57749 5.91159 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 5.8409 11.3406 9.53794 10.8182 7.32064 16.4946 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 5.8409 11.3406 9.53794 9.73666 5.24136 14.0662 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 5.8409 11.3406 9.53794 10.6235 6.44687 10.1424 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 5.8409 11.3406 9.53794 3.48199 5.85007 13.583 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 5.8409 11.8939 9.84346 10.8182 7.32064 13.8703 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 5.8409 11.8939 9.84346 9.73666 5.24136 13.4395 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 5.8409 11.8939 9.84346 10.6235 6.44687 14.488 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 5.8409 11.8939 9.84346 3.48199 5.85007 11.9719 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 8.13368 11.8939 9.46472 10.8182 4.62314 13.8703 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 8.13368 11.8939 9.46472 9.73666 4.41745 13.4395 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 8.13368 11.8939 9.46472 3.48199 6.35234 11.9719 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 7.18358 8.97165 7.74131 6.06978 7.58743 3.45432 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 6.28645 9.33151 9.64281 8.50179 6.12348 7.09333 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.08733 10.6776 7.72434 4.85157 5.90003 11.4056 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 4.90449 5.90092 7.72434 5.74561 5.90003 11.4056 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 6.57161 9.48174 9.83308 8.66931 6.27683 7.0638 numMergedOcc 0
18 mol 169 unq 1 iso 0 dist 6.57161 8.6142 8.97159 8.66931 6.27683 13.7432 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 7.7195 12.6444 8.59783 4.91613 6.51523 9.12839 numMergedOcc 0
20 mol 171 unq 1 iso 0 dist 8.30819 7.0159 8.59783 4.61696 6.51523 9.12839 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 7.83389 9.52577 9.80584 12.5518 7.93715 9.82173 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 7.83389 5.42437 7.95713 12.5518 7.93715 9.52963 numMergedOcc 0
23 mol 192 unq 2 iso 0 dist 9.02212 7.85772 7.95713 4.53842 8.8637 3.81315 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 9.78043 5.9265 8.97651 5.61997 9.48766 8.34322 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 7.11262 10.8267 8.99496 8.62768 9.27308 3.90755 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 7.11262 10.8267 8.99496 4.57447 7.25438 11.662 numMergedOcc 0
27 mol 225 unq 2 iso 0 dist 9.14778 4.25439 8.99496 7.46055 9.99149 6.04066 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 7.09902 6.03685 7.74693 4.12865 8.7831 4.98419 numMergedOcc 0
29 mol 233 unq 1 iso 0 dist 7.09902 6.03685 7.74693 7.02682 9.61071 7.08719 numMergedOcc 0
30 mol 233 unq 2 iso 0 dist 7.09902 6.03685 7.74693 8.26863 7.1229 10.7478 numMergedOcc 0
31 mol 233 unq 3 iso 0 dist 8.73545 15.6369 7.74693 14.2672 8.7831 4.98419 numMergedOcc 0
32 mol 233 unq 4 iso 0 dist 8.73545 15.6369 7.74693 14.2649 9.61071 7.08719 numMergedOcc 0
33 mol 233 unq 5 iso 0 dist 8.73545 15.6369 7.74693 7.83075 7.1229 10.7478 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 6.84909 12.2904 8.35169 4.77692 5.72473 10.0594 numMergedOcc 0
