0 mol 24 unq 0 iso 0 dist 8.94703 6.40447 7.77964 6.11056 4.79736 8.09311 10.4744 12.3058 11.6226 8.86116 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.94703 6.40447 7.77964 6.11056 4.79736 8.09311 6.9756 10.6772 6.17155 8.38394 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.77745 5.23233 8.07318 8.6396 6.47509 6.55597 5.8503 7.05196 4.69295 5.04899 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 5.77745 6.29702 7.44277 8.40051 5.63212 4.79873 13.466 10.9703 10.2864 7.57578 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 5.77745 6.29702 7.44277 8.40051 5.63212 4.79873 14.4191 10.3338 11.4148 7.17969 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 8.27137 10.1908 7.44277 16.9711 11.6045 7.05196 16.046 12.3944 6.47509 5.04899 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 7.93171 7.2452 8.77529 7.20538 9.96534 9.03564 6.93876 13.2483 6.75591 8.66265 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 9.01601 11.4478 8.66724 10.3722 6.08003 6.56212 12.491 12.4823 7.31539 7.17396 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 9.01601 11.4478 8.66724 10.3722 6.08003 6.56212 9.60571 13.2239 11.1607 9.21998 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.762 10.8441 8.46627 12.1964 6.41115 5.5087 19.3492 15.0347 11.2069 8.70481 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.762 15.2203 9.22208 12.1964 6.41115 6.08682 19.3492 15.0347 10.6713 8.70481 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.68629 5.92795 9.99441 12.5764 6.77937 9.36001 11.104 12.8197 5.31547 9.64443 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 9.46621 9.78374 9.09348 11.1103 5.00433 7.07971 10.6893 8.52024 4.69373 8.69985 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 9.94704 8.08642 9.09348 8.3164 5.00433 7.07971 11.5656 8.52024 4.69373 8.69985 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.42219 8.29196 7.65564 12.5192 6.63111 6.24825 5.24961 6.39384 6.95773 9.33865 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 8.42219 8.29196 7.65564 12.5192 6.63111 6.24825 11.8122 9.42082 6.01673 5.83991 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.78303 4.63732 8.62504 9.55556 7.41373 7.21868 11.9294 9.33094 8.06642 8.94367 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 8.78303 4.63732 8.62504 9.55556 7.41373 7.21868 6.36794 8.69531 4.00092 9.86662 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 8.78303 4.63732 8.62504 12.1043 10.8635 7.93372 11.9294 9.33094 8.06642 6.37586 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 8.78303 4.63732 8.62504 12.1043 10.8635 7.93372 6.36794 8.69531 4.00092 9.71307 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 9.42866 13.0468 7.86352 18.6643 10.8974 7.06025 17.3766 9.79683 6.42973 6.69288 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.26168 3.6848 8.5672 9.44405 10.8286 6.61112 14.7094 17.8564 11.0961 7.54065 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.86886 4.91709 8.14294 7.85877 8.34852 5.56538 4.82768 12.0171 6.84862 7.21333 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 8.86886 5.96186 5.72 7.85877 8.34852 7.48954 4.82768 12.0171 9.53117 7.21333 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 8.79884 5.25298 6.09335 9.96308 4.1511 5.23634 9.04956 9.91384 5.0317 7.22101 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 8.79884 5.25298 6.09335 9.96308 4.1511 5.23634 10.1896 10.3016 5.83175 7.09863 numMergedOcc 0
26 mol 227 unq 2 iso 0 dist 8.79884 5.25298 6.09335 9.95674 4.69247 6.91318 9.04956 9.91384 5.0317 8.65997 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 6.96382 3.68226 4.66186 11.6545 5.71717 9.12776 12.2428 10.1172 10.3162 7.31233 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 6.96382 3.68226 4.66186 10.2894 10.4706 9.72188 5.65577 8.923 7.06793 5.72887 numMergedOcc 0
