0 mol 25 unq 0 iso 0 dist 9.27448 5.46378 6.674 6.44262 11.0377 7.685 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.07927 5.46378 8.43188 6.44262 7.31767 7.685 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.50987 5.46378 10.3635 6.44262 6.03987 7.685 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 9.82536 8.00967 9.14254 7.92237 14.4686 7.41857 numMergedOcc 0
4 mol 42 unq 1 iso 0 dist 8.77998 8.00967 8.61772 7.92237 14.2338 7.41857 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 6.08894 9.28632 4.5482 6.01116 7.34143 7.18176 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.08867 8.82184 14.6826 5.34993 14.4251 8.33704 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 9.08867 8.82184 14.6826 10.0449 18.8209 7.92394 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 8.71603 7.44647 5.37521 9.86323 9.36773 9.25235 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.80191 7.77845 8.69934 11.224 15.0169 6.81812 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.81252 7.83743 5.33327 5.61542 7.35754 8.68821 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 9.81252 7.83743 5.33327 6.5491 10.473 7.12609 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 7.54454 9.03971 6.47974 13.7762 15.173 9.52936 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 7.54454 9.03971 6.47974 10.3465 13.8822 9.15417 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 7.18765 9.47487 5.2908 17.6057 11.6759 8.99696 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 7.41091 9.47487 6.23998 17.6057 11.3819 8.99696 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 8.58958 5.99388 10.6156 5.19951 13.3467 6.16063 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 7.17987 5.99388 5.56749 5.19951 10.3625 6.16063 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.55574 8.16932 15.8546 7.80626 17.2268 7.66365 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 8.70852 9.19369 11.8736 5.07898 7.84554 7.48005 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 8.70852 9.19369 11.8736 15.9608 18.2309 8.37865 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 9.89728 9.19369 5.79468 5.07898 7.46176 7.48005 numMergedOcc 0
22 mol 259 unq 3 iso 0 dist 9.89728 9.19369 5.79468 15.9608 11.858 8.37865 numMergedOcc 0
23 mol 259 unq 4 iso 0 dist 6.42437 9.19369 12.6649 5.07898 9.18903 7.48005 numMergedOcc 0
24 mol 259 unq 5 iso 0 dist 6.42437 9.19369 12.6649 15.9608 20.3294 8.37865 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 8.43682 6.61098 10.8409 15.2943 19.9746 9.5784 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 6.20796 6.61098 10.5617 15.2943 19.2331 9.5784 numMergedOcc 0
27 mol 264 unq 2 iso 0 dist 7.73693 6.25794 10.5617 12.3535 19.2331 9.5784 numMergedOcc 0
