0 mol 11 unq 0 iso 0 dist 5.56531 4.80143 8.01262 6.49542 6.03873 4.30695 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.56531 4.80143 8.01262 11.1189 12.9584 6.35398 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.74777 5.92191 7.49157 9.67696 7.02381 7.33768 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.74777 5.92191 7.49157 9.05162 13.4969 9.01567 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.74777 5.92191 7.49157 9.77113 14.1137 7.29868 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.7649 17.7515 8.23075 19.1516 12.2271 8.70827 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 9.7649 17.7515 8.23075 21.7504 12.2839 6.73939 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.5268 14.2153 8.23075 15.2375 12.2271 8.70827 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 6.5268 14.2153 8.23075 18.8006 12.2839 6.73939 numMergedOcc 0
9 mol 32 unq 0 iso 0 dist 5.78231 12.4304 8.91596 15.9404 10.8132 7.99969 numMergedOcc 0
10 mol 32 unq 1 iso 0 dist 9.41538 4.5514 8.91596 10.0514 10.8132 7.99969 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 9.72036 14.3492 9.02471 19.56 10.4863 8.95682 numMergedOcc 0
12 mol 81 unq 0 iso 0 dist 4.95504 4.35132 5.51927 7.27852 6.27606 5.65974 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.71568 10.6579 7.44558 15.9163 9.63255 7.02927 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 8.71568 10.6579 7.44558 9.32181 4.0719 6.60933 numMergedOcc 0
15 mol 109 unq 2 iso 0 dist 5.81859 6.24368 7.44558 6.45174 9.63255 7.02927 numMergedOcc 0
16 mol 109 unq 3 iso 0 dist 5.81859 6.24368 7.44558 8.46446 4.0719 6.60933 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 8.03867 10.6596 7.42146 16.9126 10.5934 7.70232 numMergedOcc 0
18 mol 117 unq 1 iso 0 dist 8.03867 10.6596 7.42146 16.6993 11.9806 7.4671 numMergedOcc 0
19 mol 117 unq 2 iso 0 dist 5.94465 6.3368 7.42146 11.0881 10.5934 7.70232 numMergedOcc 0
20 mol 117 unq 3 iso 0 dist 5.94465 6.3368 7.42146 12.7478 11.9806 7.4671 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.24832 10.9813 8.29467 9.0234 3.63671 5.94469 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 4.55528 9.45062 9.52922 7.71806 3.7326 8.65535 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 6.88386 10.6236 9.52922 9.59959 3.7326 8.65535 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 9.08818 6.75711 6.1896 8.88206 5.34495 6.1951 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 9.14217 7.17634 5.30118 13.2024 5.39801 9.65934 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 9.14217 7.17634 5.30118 13.2024 5.39801 9.65934 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.14217 7.17634 5.30118 13.2024 5.39801 9.65934 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.15937 14.0055 9.96374 14.3673 8.33171 8.87028 numMergedOcc 0
