0 mol 12 unq 0 iso 0 dist 8.15864 8.18296 10.1802 6.9065 9.75368 14.7405 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.15864 7.99569 11.8349 6.9065 9.75368 13.8238 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 5.66803 9.23947 8.95689 6.33529 9.15386 15.042 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.90896 6.66506 5.00474 18.2252 9.41049 13.6162 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.15664 8.96747 4.92054 6.09495 7.11695 8.91313 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 7.1859 7.73086 4.93063 4.51951 8.65215 6.98314 numMergedOcc 0
6 mol 101 unq 1 iso 0 dist 7.1859 7.73086 4.93063 5.82598 9.65097 7.61685 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 9.52061 7.32407 7.72162 5.99695 8.59695 9.36851 numMergedOcc 0
8 mol 129 unq 1 iso 0 dist 9.52061 6.48695 7.95267 5.99695 8.59695 4.97175 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 5.32865 8.40219 5.30729 12.348 9.88662 10.3047 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 7.2833 9.25935 8.71774 5.34788 7.04524 9.26504 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.52029 9.46973 4.29037 18.5654 9.44947 9.68728 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 6.20044 9.23676 4.92804 6.12296 9.24822 11.9777 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.57174 7.46122 15.6078 9.18635 9.9693 14.6002 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 5.25149 8.75712 10.8928 6.19375 5.39218 13.5821 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 9.14989 9.07808 4.32112 4.90192 9.01818 10.8135 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 7.74348 8.88405 8.64384 6.49831 5.90804 12.0062 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 7.74348 7.13854 9.7977 6.49831 5.90804 9.89 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 7.79787 9.97458 4.89551 10.5547 9.21656 5.50492 numMergedOcc 0
19 mol 271 unq 0 iso 0 dist 9.50884 7.03848 11.0964 7.30308 9.42899 9.70714 numMergedOcc 0
