0 mol 21 unq 0 iso 0 dist 8.90496 9.24767 3.76294 4.2995 5.63735 7.05407 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 8.90496 9.24767 3.76294 8.74733 6.28263 9.6925 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.4436 6.17708 3.91611 6.34412 8.20298 8.54587 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 8.4436 6.17708 3.91611 4.16606 6.13351 5.27182 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.27321 6.72469 7.71726 3.62638 7.98985 5.7369 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.49444 5.32773 7.1951 9.55465 9.30645 12.1146 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 9.95168 6.78833 8.8442 6.24319 7.8929 10.6328 numMergedOcc 0
7 mol 128 unq 1 iso 0 dist 4.89256 6.6014 5.91388 6.15201 9.59437 12.108 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.08299 7.76446 11.5269 11.6261 9.0176 11.2397 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 6.08299 6.14652 6.93712 11.6261 9.0176 8.62504 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.10556 5.05627 3.98068 6.83215 5.92302 7.92216 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 9.03552 5.30818 7.33583 12.1541 6.0859 10.2894 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 9.03552 5.30818 7.33583 14.0696 6.05009 11.3115 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 5.77897 5.30818 3.95773 12.1541 9.15283 10.2894 numMergedOcc 0
14 mol 169 unq 3 iso 0 dist 8.59976 8.89822 7.33583 6.43144 6.0859 10.2894 numMergedOcc 0
15 mol 169 unq 4 iso 0 dist 8.59976 8.89822 7.33583 6.37039 6.05009 11.3115 numMergedOcc 0
16 mol 169 unq 5 iso 0 dist 9.71763 8.89822 3.95773 6.43144 9.15283 10.2894 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 6.71675 8.33147 3.7949 8.04827 7.81263 9.52678 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 6.71675 8.09403 4.67256 8.04827 7.81263 4.61596 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 6.19189 6.04336 3.78314 12.9635 9.99396 13.7317 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 6.19189 9.00537 4.03697 12.9635 9.99396 8.5672 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 8.34668 8.9388 4.03697 4.68208 9.99396 8.5672 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 9.42329 9.94292 3.93305 5.11101 9.68477 11.1983 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.27184 5.9625 3.86189 4.51728 6.15635 8.93212 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 4.76698 8.19223 12.3914 4.87707 6.75725 11.6305 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 4.76698 8.19223 12.3914 14.0463 9.31888 21.4306 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 6.71956 9.22453 6.64795 10.3171 9.26157 7.16209 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 5.02385 9.88022 11.7578 5.4988 9.42255 10.3337 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 5.02385 7.26637 4.05042 5.4988 9.42255 12.4794 numMergedOcc 0
29 mol 279 unq 2 iso 0 dist 5.02385 9.88198 9.85432 5.4988 9.42255 10.4967 numMergedOcc 0
