0 mol 54 unq 0 iso 0 dist 8.79578 7.72041 5.61075 6.6367 5.15508 4.9947 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.53862 6.09085 9.94188 7.51631 15.0083 7.18877 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 6.88001 6.72469 10.6564 4.9983 11.023 3.74917 numMergedOcc 0
3 mol 68 unq 2 iso 0 dist 6.88001 6.09085 3.62638 7.51631 10.2302 7.18877 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.39344 7.10218 8.02989 5.98764 4.05022 10.145 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.45209 7.84956 12.6953 8.6356 14.7221 3.62998 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 7.45209 8.57607 12.4753 8.6356 14.7221 8.96713 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 7.45209 6.1991 6.52247 8.6356 14.7221 10.6694 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 7.45209 5.96246 5.89506 8.6356 14.7221 10.3539 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 9.17931 8.89822 8.84887 7.07933 5.88521 3.59996 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 8.28543 8.08491 12.281 9.33055 16.1839 5.60873 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.56851 7.59666 6.42228 8.47283 13.952 8.03752 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 9.56851 6.51936 11.6437 8.47283 13.952 4.05102 numMergedOcc 0
13 mol 207 unq 0 iso 0 dist 7.71388 7.25953 10.51 9.064 10.4268 4.67727 numMergedOcc 0
14 mol 207 unq 1 iso 0 dist 7.71388 9.05688 10.7135 9.064 10.4268 10.0842 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.67898 6.28826 11.211 7.93054 13.7837 4.16963 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 9.67898 5.56977 10.6488 6.26596 7.25055 5.22858 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 5.2691 9.08259 5.31043 7.79803 4.6733 3.92688 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 5.2691 8.42325 4.41719 7.79803 4.6733 4.47943 numMergedOcc 0
19 mol 270 unq 0 iso 0 dist 8.77116 9.97694 9.20653 8.93961 10.8246 3.11108 numMergedOcc 0
20 mol 270 unq 1 iso 0 dist 8.77116 9.97694 9.20653 7.96508 13.2466 15.3195 numMergedOcc 0
21 mol 270 unq 2 iso 0 dist 7.18907 9.97694 5.32545 8.93961 6.71164 3.11108 numMergedOcc 0
22 mol 270 unq 3 iso 0 dist 7.18907 9.97694 5.32545 7.96508 11.0423 15.3195 numMergedOcc 0
