0 mol 15 unq 0 iso 0 dist 4.89563 6.05868 6.82187 10.5268 6.09263 9.05123 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.16274 5.75573 6.60595 12.0354 6.64544 9.09251 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 9.74892 8.7712 5.52992 17.0012 8.87482 8.74487 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 9.74892 8.7712 5.52992 12.2954 5.62472 7.44828 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.85981 4.49648 6.4104 7.37476 7.52996 7.48556 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.37314 4.50556 9.85884 10.8557 16.0506 8.07498 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.37314 4.50556 9.85884 7.37476 9.80866 9.47045 numMergedOcc 0
7 mol 101 unq 0 iso 0 dist 7.42893 10.3211 8.65215 10.54 4.51951 7.1859 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 6.12388 5.2815 9.64597 7.53333 6.29219 6.90966 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 6.97244 14.7727 9.32858 17.425 10.7092 7.79078 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.1421 11.2993 8.00624 10.2926 4.80675 7.6453 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 9.54663 12.8233 8.00624 9.83241 4.80675 7.6453 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 9.11046 12.2068 9.88662 16.3565 12.348 5.32865 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 7.47249 6.16238 9.32245 13.3944 12.9081 8.10386 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 9.84636 11.013 8.02366 17.1559 11.6341 7.98755 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.65951 17.5501 9.44947 25.8783 18.5654 9.52029 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 9.14829 16.4106 9.44947 23.6099 18.5654 9.52029 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.9028 4.47683 9.9693 9.64006 9.18635 8.57174 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 6.9028 4.47683 9.9693 10.2603 14.1934 6.80214 numMergedOcc 0
19 mol 220 unq 2 iso 0 dist 7.23901 11.0287 9.9693 14.246 9.18635 8.57174 numMergedOcc 0
20 mol 220 unq 3 iso 0 dist 7.23901 11.0287 9.9693 16.3067 14.1934 6.80214 numMergedOcc 0
21 mol 220 unq 4 iso 0 dist 9.05754 6.25112 5.39218 9.97248 6.19375 5.25149 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 4.94074 4.67806 7.41931 9.06221 10.2837 6.9103 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 6.67907 11.1044 9.44496 7.73969 5.52669 4.71683 numMergedOcc 0
24 mol 271 unq 0 iso 0 dist 7.59727 6.04262 9.42899 7.90629 7.30308 9.50884 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 5.37894 4.69901 6.03235 9.96121 5.28949 8.04712 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 6.86014 4.00063 4.81916 9.60879 7.44724 6.66936 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 6.86014 4.00063 4.81916 6.92271 5.77904 8.15119 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 5.97073 9.31316 4.81916 12.8843 7.44724 6.66936 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 5.97073 9.31316 4.81916 8.62666 5.77904 8.15119 numMergedOcc 0
30 mol 277 unq 5 iso 0 dist 6.49176 11.2565 4.81916 12.2822 7.44724 6.66936 numMergedOcc 0
31 mol 277 unq 6 iso 0 dist 6.49176 11.2565 4.81916 8.41858 5.77904 8.15119 numMergedOcc 0
