0 mol 0 unq 0 iso 0 dist 7.79297 16.4903 9.19007 6.73401 9.67081 16.5238 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.79297 13.9134 9.56794 6.73401 9.67081 11.9068 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.20552 6.49868 7.88043 8.16305 7.78327 10.6558 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.20552 8.07954 8.80762 8.16305 7.78327 13.5227 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 9.83528 5.90298 7.26086 11.4714 7.92856 8.67903 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 7.54969 8.8736 7.26086 12.9689 7.92856 8.67903 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.24527 3.56506 7.55384 4.61206 9.63963 6.30703 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 6.34542 6.40295 7.71107 11.2375 9.06601 12.2445 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 6.34542 6.40295 7.71107 6.87591 5.98809 3.75797 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.71345 6.51881 6.34525 11.5242 9.93438 13.7162 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 5.06555 10.214 8.93905 8.14689 6.42623 9.23272 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 5.06555 10.214 8.93905 5.74365 8.95899 14.3708 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 7.75045 7.79531 8.38738 11.5774 9.90947 15.2764 numMergedOcc 0
13 mol 163 unq 1 iso 0 dist 7.75045 7.79531 8.38738 10.9436 8.16252 12.99 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.04723 5.24118 4.92088 12.3914 4.72821 8.56547 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 7.39185 9.67099 6.60567 4.22848 6.59544 11.5264 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 4.78641 9.33058 6.60567 4.65343 6.59544 11.5264 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.58471 5.35708 5.37446 8.19655 6.85824 7.61953 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 7.94344 6.27546 8.46327 10.313 9.06459 13.3401 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 9.79816 10.5293 8.06216 5.27483 7.84952 9.46108 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 9.79816 10.888 5.76954 5.27483 7.84952 11.2216 numMergedOcc 0
21 mol 218 unq 2 iso 0 dist 9.79816 8.17702 6.29511 5.27483 7.84952 5.46009 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.57253 14.1473 7.83711 11.393 8.25985 6.20756 numMergedOcc 0
23 mol 232 unq 1 iso 0 dist 7.57253 14.1473 7.83711 7.05941 9.27788 11.7554 numMergedOcc 0
24 mol 240 unq 0 iso 0 dist 7.6664 14.1051 9.47583 3.99769 5.77749 10.2659 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.13226 12.9095 9.56685 8.82131 9.83622 8.10746 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 9.13226 16.3353 8.49922 8.82131 9.83622 13.2205 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 9.82717 10.0774 5.31728 13.5711 6.71946 4.12133 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 9.82717 10.0774 5.31728 17.9142 8.28061 10.3898 numMergedOcc 0
29 mol 285 unq 2 iso 0 dist 9.82717 10.0774 5.31728 13.8352 5.03601 6.89311 numMergedOcc 0
30 mol 285 unq 3 iso 0 dist 8.33653 10.471 5.31728 7.76515 6.71946 4.12133 numMergedOcc 0
31 mol 285 unq 4 iso 0 dist 8.33653 10.471 5.31728 5.12725 8.28061 10.3898 numMergedOcc 0
32 mol 285 unq 5 iso 0 dist 8.33653 10.471 5.31728 7.52611 5.03601 6.89311 numMergedOcc 0
33 mol 285 unq 6 iso 0 dist 6.44657 10.8587 5.31728 11.6832 6.71946 4.12133 numMergedOcc 0
34 mol 285 unq 7 iso 0 dist 6.44657 10.8587 5.31728 6.73715 8.28061 10.3898 numMergedOcc 0
35 mol 285 unq 8 iso 0 dist 6.44657 10.8587 5.31728 5.32175 5.03601 6.89311 numMergedOcc 0
