0 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 3.77705 6.44825 11.2455 8.4702 8.43533 15.7437 5.88409 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 8.34804 5.66613 5.80736 3.77705 6.44825 3.83735 8.4702 8.43533 9.10001 5.88409 numMergedOcc 0
2 mol 139 unq 0 iso 0 dist 5.77343 4.19005 8.78382 4.37138 7.20542 3.82037 11.0737 7.77973 12.2076 8.83962 numMergedOcc 0
3 mol 171 unq 0 iso 0 dist 6.20851 5.93953 6.19457 9.12839 9.67711 10.9652 13.457 14.9311 18.1562 9.68512 numMergedOcc 0
4 mol 192 unq 0 iso 0 dist 8.86627 8.61606 7.36571 9.82173 5.77035 6.62595 13.7402 5.54406 12.212 8.23162 numMergedOcc 0
5 mol 192 unq 1 iso 0 dist 8.86627 4.25327 9.80122 9.82173 5.77035 9.6618 13.7402 5.54406 13.403 8.23162 numMergedOcc 0
6 mol 192 unq 2 iso 0 dist 8.86627 4.97164 9.17137 9.82173 5.77035 12.1003 13.7402 5.54406 14.4012 8.23162 numMergedOcc 0
7 mol 192 unq 3 iso 0 dist 9.10569 5.41356 7.36571 9.52963 5.77035 6.62595 14.5644 5.54406 12.212 8.23162 numMergedOcc 0
8 mol 192 unq 4 iso 0 dist 9.10569 8.1874 9.80122 9.52963 5.77035 9.6618 14.5644 5.54406 13.403 8.23162 numMergedOcc 0
9 mol 192 unq 5 iso 0 dist 9.10569 4.87986 9.17137 9.52963 5.77035 12.1003 14.5644 5.54406 14.4012 8.23162 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 12.5259 5.81438 7.35194 18.2342 10.6524 12.8257 8.23717 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 8.40718 12.4189 6.20044 12.5259 5.81438 7.35194 16.5874 9.88337 13.4001 7.98864 numMergedOcc 0
12 mol 204 unq 2 iso 0 dist 8.40718 12.8445 8.41232 12.5259 5.81438 5.87202 18.2342 10.6524 13.697 8.23717 numMergedOcc 0
13 mol 204 unq 3 iso 0 dist 8.40718 12.8445 8.41232 12.5259 5.81438 5.87202 16.5874 9.88337 13.8337 7.98864 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.55333 6.67537 5.86839 3.69062 6.50586 3.73699 10.0133 4.51847 4.93303 7.88986 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 7.55333 6.67537 5.86839 3.69062 6.50586 3.73699 9.16671 10.9814 9.95859 7.4185 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.47852 5.9027 7.65121 11.1052 8.94981 11.8703 16.9432 10.8002 15.823 8.74463 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 6.22332 4.95393 7.65121 13.5289 8.94981 11.8703 16.6103 10.8002 15.823 8.74463 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 7.54614 12.983 8.74399 10.2945 8.31266 5.27153 10.6289 7.27859 11.9419 9.07313 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 5.76796 11.2606 7.872 6.01574 6.24134 11.5704 6.73396 4.57431 12.2776 7.73438 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 5.76796 8.7778 6.32984 6.01574 6.24134 4.4744 6.73396 4.57431 9.58965 7.73438 numMergedOcc 0
21 mol 286 unq 0 iso 0 dist 8.97304 5.95493 6.83763 9.05338 6.64391 3.67621 17.64 12.1288 12.387 8.75926 numMergedOcc 0
