0 mol 7 unq 0 iso 0 dist 8.41585 9.68596 14.7759 13.5229 7.78327 16.2245 9.0379 16.7601 6.7985 20.4814 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.97507 7.48342 12.1303 6.49982 8.28153 12.9387 11.7498 18.3783 6.42748 18.0575 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.51865 8.40416 7.08342 4.44441 7.7312 12.7679 7.67038 6.864 7.75618 10.0411 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.864 7.75618 7.08342 10.0411 7.7312 12.7679 7.67038 4.51865 8.40416 4.44441 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 8.66248 7.49157 11.4816 11.4989 11.0194 6.73939 17.01 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 6.73521 7.73794 12.7944 11.4989 11.0194 6.73939 17.0408 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 8.4051 5.11617 6.7846 8.23075 7.85986 15.5315 11.0194 7.29868 13.7992 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 5.54419 8.4051 5.11617 6.7846 8.23075 7.85986 14.6259 13.2433 8.60554 13.2846 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 5.54419 8.4051 5.11617 8.03955 4.7841 4.30252 15.5315 11.0194 7.29868 8.92779 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 5.54419 8.4051 5.11617 8.03955 4.7841 4.30252 14.6259 13.2433 8.60554 12.3897 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 5.54419 8.75662 10.8238 6.7846 8.23075 11.0098 14.6259 13.2433 9.44691 13.2846 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 5.54419 8.75662 10.8238 8.03955 4.7841 12.496 14.6259 13.2433 9.44691 12.3897 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 8.37717 9.01812 15.3758 10.1164 15.309 9.39864 17.0152 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 8.29813 7.92856 13.6994 8.40073 6.10456 4.47349 12.7473 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 8.29813 7.92856 13.6994 10.2427 10.1136 5.65185 15.2088 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 12.7473 7.92856 13.6994 8.40073 5.08437 6.7117 8.29813 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 12.7473 7.92856 13.6994 5.02887 10.1136 5.65185 15.2088 numMergedOcc 0
17 mol 101 unq 0 iso 0 dist 6.57035 6.98314 5.53055 7.89838 9.23765 13.154 6.69637 10.3881 7.61685 12.659 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 6.90986 5.88249 5.31484 6.34182 5.93278 9.24302 6.5838 11.4095 6.92026 12.6623 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 6.90986 5.88249 5.31484 6.34182 5.93278 9.24302 5.67807 5.39945 6.97707 3.98154 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 6.90986 5.88249 5.31484 8.66957 6.19918 10.7582 6.5838 11.4095 6.92026 15.0349 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 6.90986 5.88249 5.31484 8.66957 6.19918 10.7582 5.67807 5.39945 6.97707 6.61688 numMergedOcc 0
22 mol 115 unq 4 iso 0 dist 5.39945 6.97707 5.31484 3.98154 5.93278 9.24302 10.5564 11.4095 6.92026 12.6623 numMergedOcc 0
23 mol 115 unq 5 iso 0 dist 5.39945 6.97707 5.31484 3.98154 5.93278 9.24302 5.67807 6.90986 5.88249 6.34182 numMergedOcc 0
24 mol 115 unq 6 iso 0 dist 5.39945 6.97707 5.31484 6.61688 6.19918 10.7582 10.5564 11.4095 6.92026 15.0349 numMergedOcc 0
25 mol 115 unq 7 iso 0 dist 5.39945 6.97707 5.31484 6.61688 6.19918 10.7582 5.67807 6.90986 5.88249 8.66957 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 6.5107 6.66772 7.12976 6.12885 5.78814 10.218 6.69554 9.66421 9.97654 5.81903 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 6.5107 6.66772 7.12976 6.12885 5.78814 10.218 7.6656 12.0352 7.71248 11.0915 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 7.81386 9.39829 7.20191 6.13927 8.29467 13.0634 8.85576 7.63312 6.41453 13.2274 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 7.63312 6.41453 7.20191 13.2274 8.29467 13.0634 8.85576 7.81386 9.39829 6.13927 numMergedOcc 0
30 mol 231 unq 0 iso 0 dist 7.37839 6.98875 6.37275 16.456 9.9868 16.0391 4.06055 8.40182 6.54852 17.7601 numMergedOcc 0
31 mol 231 unq 1 iso 0 dist 7.37839 6.98875 6.37275 6.63423 7.3268 10.3577 4.06055 8.40182 6.54852 10.3815 numMergedOcc 0
32 mol 231 unq 2 iso 0 dist 8.40182 6.54852 6.37275 17.7601 9.9868 16.0391 4.06055 7.37839 6.98875 16.456 numMergedOcc 0
33 mol 231 unq 3 iso 0 dist 8.40182 6.54852 6.37275 10.3815 7.3268 10.3577 4.06055 7.37839 6.98875 6.63423 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 4.04428 8.25985 9.78273 6.56633 10.5803 8.50102 6.95968 numMergedOcc 0
35 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 4.22149 9.27788 11.9664 6.56633 10.5803 8.50102 10.7798 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 4.24652 9.83622 9.2199 11.3308 11.3168 6.39866 9.62818 numMergedOcc 0
