0 mol 12 unq 0 iso 0 dist 8.3933 6.16894 6.6051 9.3276 8.18139 11.1357 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.3933 5.93993 8.15864 9.3276 8.18139 5.03514 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.65565 9.33353 4.34694 12.9035 7.47162 4.93697 numMergedOcc 0
3 mol 128 unq 0 iso 0 dist 6.45731 12.523 8.64054 5.61773 5.64587 7.90985 numMergedOcc 0
4 mol 157 unq 0 iso 0 dist 9.20602 10.7142 6.8976 11.4584 8.9078 5.332 numMergedOcc 0
5 mol 158 unq 0 iso 0 dist 8.57243 11.0811 9.96635 6.32612 7.68074 7.76298 numMergedOcc 0
6 mol 158 unq 1 iso 0 dist 8.57243 11.0811 9.96635 7.80921 9.1854 8.17573 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 7.74764 6.46011 6.72718 14.2497 8.09915 13.4486 numMergedOcc 0
8 mol 210 unq 0 iso 0 dist 9.30279 14.415 8.05949 5.11101 7.80421 10.8542 numMergedOcc 0
9 mol 210 unq 1 iso 0 dist 9.30279 14.415 8.05949 7.47693 9.71107 14.6074 numMergedOcc 0
10 mol 210 unq 2 iso 0 dist 9.30279 14.415 8.05949 10.5246 9.7449 13.6787 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 9.45587 4.04412 8.52996 8.63354 7.3963 4.89645 numMergedOcc 0
12 mol 266 unq 0 iso 0 dist 9.17075 13.8167 9.0836 8.86075 8.9221 7.90149 numMergedOcc 0
13 mol 266 unq 1 iso 0 dist 7.68224 10.5649 9.0836 15.0292 8.9221 7.90149 numMergedOcc 0
14 mol 266 unq 2 iso 0 dist 9.8751 10.5649 9.62494 15.0292 9.51145 7.90149 numMergedOcc 0
15 mol 271 unq 0 iso 0 dist 6.56531 10.9694 9.50884 9.16361 9.86908 15.1078 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 8.90911 8.3109 6.66936 12.4357 6.42951 5.38166 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 8.90911 16.7779 8.15119 12.4357 6.42951 6.65084 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 6.99084 10.4062 7.14859 4.38471 8.43856 13.8618 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 6.99084 10.4062 7.14859 4.38471 8.43856 13.8618 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 6.99084 10.4062 7.14859 4.38471 8.43856 13.8618 numMergedOcc 0
