0 mol 6 unq 0 iso 0 dist 8.56876 5.16051 6.36157 11.2034 8.54844 6.1462 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 8.56876 5.16051 6.36157 13.9625 8.60722 9.12796 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 8.3933 6.16894 6.6051 10.8052 4.86727 5.9021 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 8.3933 6.16894 6.6051 8.34132 10.763 8.98466 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 8.53522 4.8523 5.52834 9.52043 5.21506 8.84148 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.65565 9.33353 4.34694 17.4665 9.65371 8.4438 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.70465 6.15303 7.45777 9.76332 4.68175 9.27331 numMergedOcc 0
7 mol 157 unq 0 iso 0 dist 9.20602 10.7142 6.8976 18.646 11.1313 9.668 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 8.57243 11.0811 9.96635 16.2207 10.9312 7.07348 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.74764 6.46011 6.72718 9.76509 6.12748 7.02662 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 8.49075 5.92167 6.77641 11.8428 9.94485 7.04604 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 7.76744 5.38715 8.51153 4.99993 3.96154 4.58291 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 9.30279 14.415 8.05949 14.2047 7.48216 6.41444 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.35578 6.4634 8.57174 10.4721 14.3078 7.86207 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 8.90583 4.09525 8.74399 10.7504 12.3908 7.20862 numMergedOcc 0
15 mol 245 unq 0 iso 0 dist 9.93922 13.4565 9.96585 13.6261 6.25662 7.26913 numMergedOcc 0
16 mol 245 unq 1 iso 0 dist 9.93922 13.4565 9.96585 19.6989 14.6391 6.41862 numMergedOcc 0
17 mol 245 unq 2 iso 0 dist 9.93922 13.4565 9.96585 21.4596 17.4904 8.69377 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.17075 13.8167 9.0836 17.4898 16.492 9.77392 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.68224 10.5649 9.0836 16.4228 16.492 9.77392 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 9.8751 10.5649 9.62494 16.4228 18.9489 9.77392 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 8.90911 8.3109 6.66936 5.73065 5.95045 6.23539 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 7.03218 5.90566 8.83076 12.6321 9.88995 9.43447 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 5.84757 4.93146 6.58925 7.9542 4.37855 6.7897 numMergedOcc 0
24 mol 281 unq 1 iso 0 dist 5.0007 8.1531 6.58925 9.23863 4.37855 6.7897 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 6.99084 10.4062 7.14859 11.6246 8.13485 8.0935 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 6.99084 10.4062 7.14859 11.6246 8.13485 8.0935 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 6.99084 10.4062 7.14859 11.6246 8.13485 8.0935 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 9.00901 14.1974 9.77023 9.91042 7.87494 5.76337 numMergedOcc 0
29 mol 294 unq 1 iso 0 dist 9.00901 14.1974 9.77023 10.2437 11.4878 9.39625 numMergedOcc 0
30 mol 294 unq 2 iso 0 dist 8.46132 13.8417 9.77023 14.9272 7.87494 5.76337 numMergedOcc 0
31 mol 294 unq 3 iso 0 dist 8.46132 13.8417 9.77023 18.9603 11.4878 9.39625 numMergedOcc 0
