0 mol 10 unq 0 iso 0 dist 7.74463 9.3275 8.09253 11.1641 6.77807 11.5593 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 7.7124 8.30958 9.6266 8.02028 5.70939 6.56592 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.78899 11.2385 8.63743 10.1404 8.29196 9.95772 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 6.34748 13.2346 7.89184 5.58299 6.51117 11.7495 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 6.14248 8.50377 9.78762 5.50078 5.45099 7.24635 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 6.14248 8.50377 9.78762 11.6055 8.44765 8.05782 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 6.14248 8.50377 9.78762 13.5729 9.06643 12.4827 numMergedOcc 0
7 mol 76 unq 3 iso 0 dist 6.97936 16.2978 9.78762 11.6853 5.45099 7.24635 numMergedOcc 0
8 mol 76 unq 4 iso 0 dist 6.97936 16.2978 9.78762 15.0489 8.44765 8.05782 numMergedOcc 0
9 mol 76 unq 5 iso 0 dist 6.97936 16.2978 9.78762 14.2393 9.06643 12.4827 numMergedOcc 0
10 mol 76 unq 6 iso 0 dist 5.00466 10.5899 9.78762 4.94673 5.45099 7.24635 numMergedOcc 0
11 mol 76 unq 7 iso 0 dist 5.00466 10.5899 9.78762 5.78236 8.44765 8.05782 numMergedOcc 0
12 mol 76 unq 8 iso 0 dist 5.00466 10.5899 9.78762 4.73151 9.06643 12.4827 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 6.12663 13.2961 9.71043 12.0024 9.54696 6.89822 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 6.12663 13.2961 9.71043 5.78777 4.62636 10.9616 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 6.84952 5.45089 4.79891 4.52783 7.14813 7.30094 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 9.67711 14.3635 8.09699 14.9311 9.68512 6.65338 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 8.44337 14.7786 8.28942 14.2741 6.94187 3.72752 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.50586 6.38518 7.18098 4.51847 7.88986 6.20494 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 6.50586 6.38518 7.18098 10.9814 7.4185 8.39697 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 6.50586 12.4108 9.27084 4.51847 7.88986 13.5779 numMergedOcc 0
21 mol 205 unq 3 iso 0 dist 6.50586 12.4108 9.27084 10.9814 7.4185 3.49733 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 6.58871 7.11105 4.92885 9.16386 6.19602 4.84502 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 9.09697 9.90735 6.57713 14.9525 7.98132 5.8264 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 9.09697 9.90735 6.57713 16.5417 7.99036 9.59133 numMergedOcc 0
25 mol 251 unq 0 iso 0 dist 6.67075 7.73498 7.95984 10.4897 7.72528 15.3453 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.03656 9.38222 9.44618 5.67885 8.62266 11.096 numMergedOcc 0
