0 mol 38 unq 0 iso 0 dist 7.98333 8.19077 9.58231 6.12182 12.6659 7.50293 9.49676 12.6215 5.79134 5.73067 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 7.78459 9.17862 8.88286 15.821 15.7605 7.27724 10.4065 11.1038 5.33325 9.65047 numMergedOcc 0
2 mol 127 unq 0 iso 0 dist 9.78409 8.09965 9.75166 11.3174 8.40046 9.30299 15.4787 14.6411 8.60326 9.42513 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 7.7267 7.00798 6.37892 5.57978 11.8905 8.54584 14.6058 18.9712 14.5776 9.28278 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.18505 8.94909 6.73114 8.76089 12.7635 7.11802 5.7232 4.70999 5.37072 9.50322 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 9.18505 8.94909 6.73114 6.80087 10.4418 8.00618 5.7232 4.70999 5.37072 5.82404 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 9.02183 8.80581 5.16386 10.209 11.5992 7.63312 18.2493 15.2997 12.9554 9.84952 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 7.9678 6.04106 6.4623 12.9245 10.156 7.26832 16.5797 11.9228 10.7091 5.96555 numMergedOcc 0
8 mol 236 unq 0 iso 0 dist 6.02845 5.99137 9.92965 13.3575 17.3842 7.68742 14.592 19.8576 11.247 9.89665 numMergedOcc 0
9 mol 236 unq 1 iso 0 dist 6.02845 5.99137 9.92965 5.03598 9.90092 6.27581 4.43243 6.46022 4.15973 5.66569 numMergedOcc 0
10 mol 236 unq 2 iso 0 dist 6.02845 5.99137 9.92965 5.03598 9.90092 6.27581 5.92025 5.972 9.01197 6.11137 numMergedOcc 0
11 mol 236 unq 3 iso 0 dist 9.35599 5.99137 13.9306 13.3575 21.5876 7.68742 14.592 22.0422 11.247 9.89665 numMergedOcc 0
12 mol 236 unq 4 iso 0 dist 9.35599 5.99137 13.9306 5.03598 14.0237 6.27581 4.43243 11.3284 4.15973 5.66569 numMergedOcc 0
13 mol 236 unq 5 iso 0 dist 9.35599 5.99137 13.9306 5.03598 14.0237 6.27581 5.92025 10.9042 9.01197 6.11137 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 5.62744 6.92721 5.29737 9.00069 6.37342 6.16342 13.8479 11.0479 7.97883 6.44212 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 7.76984 6.92721 11.4465 9.00069 15.8376 6.16342 13.8479 19.4216 7.97883 6.44212 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.8726 5.31858 9.22664 6.60345 8.58088 6.42289 8.62592 3.95075 7.52881 5.73834 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 8.87598 5.29682 6.59107 5.56656 10.8647 8.13497 8.93002 5.30516 6.64729 8.06771 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 8.87598 6.20344 11.1778 5.56656 10.8647 7.88519 8.93002 5.30516 9.79538 8.06771 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 8.87598 6.20344 11.1778 10.3156 15.0974 7.46176 18.2527 19.1863 15.3806 9.54857 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 5.14122 8.59825 7.8929 11.5105 13.4214 8.4218 6.98451 4.86847 5.75478 9.772 numMergedOcc 0
