0 mol 5 unq 0 iso 0 dist 5.14917 4.34873 6.77563 6.13766 6.93063 5.51373 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.14917 4.34873 6.77563 7.8254 7.86627 4.83457 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.96805 4.07788 7.8351 9.8819 9.12986 6.45374 numMergedOcc 0
3 mol 6 unq 0 iso 0 dist 6.47003 4.15136 6.76978 5.83727 5.8726 6.33368 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 5.44077 5.16403 9.05728 6.90686 5.0553 10.871 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.73908 13.4703 9.7754 9.10734 9.00217 10.135 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.53726 4.33359 6.30103 5.85425 6.54326 8.58926 numMergedOcc 0
7 mol 94 unq 0 iso 0 dist 6.91081 12.7331 9.10488 9.49883 9.82589 7.10145 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 5.52891 4.02121 6.65963 9.21978 7.34368 6.3084 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 5.52891 4.70935 8.62711 9.21978 7.34368 12.4721 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 7.16287 4.90475 6.495 14.2644 9.77766 15.0415 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 7.16287 4.90475 6.495 11.846 9.11314 13.8574 numMergedOcc 0
12 mol 132 unq 2 iso 0 dist 7.16287 6.34266 9.43748 14.2644 9.77766 15.784 numMergedOcc 0
13 mol 132 unq 3 iso 0 dist 7.16287 6.34266 9.43748 11.846 9.11314 14.5559 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 5.28423 5.01633 8.44823 6.73318 5.35463 10.5856 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 7.63904 5.5065 9.04554 11.2153 8.9675 9.20471 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.65404 6.32863 7.83781 11.3036 7.78684 6.38496 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 8.84813 6.91967 8.84671 8.53917 7.90789 9.27827 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 8.84813 6.91967 8.84671 9.00436 4.13397 6.37375 numMergedOcc 0
19 mol 174 unq 0 iso 0 dist 4.77805 5.14186 8.4931 3.68472 4.97597 8.48462 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 5.83898 9.40372 9.08672 7.19985 7.62128 13.9867 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.55805 15.5892 7.30244 8.78097 8.01243 14.1217 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 8.55805 15.5892 7.30244 16.8623 9.55264 3.91796 numMergedOcc 0
23 mol 220 unq 2 iso 0 dist 8.55805 15.0704 7.29796 8.78097 8.01243 9.83649 numMergedOcc 0
24 mol 220 unq 3 iso 0 dist 8.55805 15.0704 7.29796 16.8623 9.55264 10.4288 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 7.38085 5.26991 8.82094 6.82732 7.67597 9.75518 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 8.77418 4.45344 7.35866 7.36238 9.51324 4.65779 numMergedOcc 0
27 mol 284 unq 1 iso 0 dist 8.77418 5.88217 7.32482 7.36238 9.51324 10.463 numMergedOcc 0
