0 mol 1 unq 0 iso 0 dist 6.35771 11.9399 7.27254 18.0744 12.7486 6.86701 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.66645 12.0608 8.15894 11.5381 10.2446 9.87885 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.66645 12.0608 8.15894 9.62914 5.44992 6.1206 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 5.22017 12.0608 8.45544 11.5381 12.3097 9.87885 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 5.22017 12.0608 8.45544 9.62914 4.74523 6.1206 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.32155 10.4149 7.15901 14.9909 7.05402 6.6263 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.32155 10.4149 7.15901 9.16827 5.48048 6.75943 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.57633 7.43516 6.87028 7.04193 7.40296 9.97769 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.57633 7.43516 6.87028 10.365 5.89202 9.32706 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 9.57633 7.43516 6.87028 7.15486 6.37648 9.08221 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 7.65992 8.42586 8.05514 14.7796 8.53692 9.8703 numMergedOcc 0
11 mol 68 unq 1 iso 0 dist 7.65992 8.42586 8.05514 13.9068 15.0902 7.39665 numMergedOcc 0
12 mol 74 unq 0 iso 0 dist 9.9321 8.23298 6.3567 13.1543 4.79817 7.93281 numMergedOcc 0
13 mol 89 unq 0 iso 0 dist 6.17795 5.87704 6.65534 12.838 8.79802 8.40422 numMergedOcc 0
14 mol 89 unq 1 iso 0 dist 6.17795 5.87704 6.65534 11.1247 5.88324 8.40425 numMergedOcc 0
15 mol 89 unq 2 iso 0 dist 6.17795 5.87704 6.65534 9.51842 6.52312 7.47974 numMergedOcc 0
16 mol 89 unq 3 iso 0 dist 6.17795 5.87704 6.65534 8.25651 6.60299 5.51831 numMergedOcc 0
17 mol 89 unq 4 iso 0 dist 6.17795 5.87704 6.65534 11.0479 6.30713 9.65149 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 8.99661 4.57682 6.98037 8.22406 7.24315 9.36001 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 8.99661 8.67704 6.9223 13.6801 6.08245 7.06939 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 9.67948 6.74766 4.99604 15.3651 10.1567 9.02706 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 9.67948 6.74766 4.99604 15.1697 8.56707 8.47988 numMergedOcc 0
22 mol 112 unq 2 iso 0 dist 9.67948 12.703 7.44041 20.9873 12.6695 9.05166 numMergedOcc 0
23 mol 112 unq 3 iso 0 dist 6.55773 3.50778 4.99604 10.0727 10.1567 9.02706 numMergedOcc 0
24 mol 112 unq 4 iso 0 dist 6.55773 3.50778 4.99604 10.9647 8.56707 8.47988 numMergedOcc 0
25 mol 112 unq 5 iso 0 dist 6.55773 12.7907 7.44041 19.1937 12.6695 9.05166 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 9.89116 13.4766 9.57341 14.5254 13.52 8.95212 numMergedOcc 0
27 mol 119 unq 1 iso 0 dist 9.89116 13.4766 9.57341 13.3176 4.99056 6.99446 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 9.89116 13.4766 9.57341 8.59784 3.78311 7.64052 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 7.52352 9.42107 8.68663 8.72463 10.8441 5.40637 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 7.23619 12.018 8.68663 16.1156 10.8441 5.40637 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 7.98533 8.40761 7.79115 11.6748 5.48276 7.88013 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 9.8747 8.66359 7.53395 7.36642 5.54129 6.52816 numMergedOcc 0
33 mol 213 unq 0 iso 0 dist 7.5552 4.44853 9.62911 9.06306 12.2697 7.94911 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 6.52129 6.10342 6.53286 14.66 11.0349 9.12776 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 6.52129 6.10342 6.53286 7.80166 10.7551 9.72188 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 9.00798 7.92795 9.39658 14.9069 13.9054 7.15764 numMergedOcc 0
