0 mol 17 unq 0 iso 0 dist 9.23243 9.05963 7.35858 15.9348 9.19031 7.77586 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 6.4074 12.3432 9.78224 4.90352 9.39046 10.7399 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 6.4074 5.33316 7.57379 4.90352 9.39046 8.60765 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 6.29578 9.76503 9.33568 9.58891 9.4228 15.8175 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 4.82824 5.93093 6.00779 8.21111 5.62694 6.71593 numMergedOcc 0
5 mol 125 unq 0 iso 0 dist 7.7203 4.65908 8.04452 7.86775 6.72613 4.94914 numMergedOcc 0
6 mol 135 unq 0 iso 0 dist 6.10881 4.8716 8.76367 5.00409 9.8248 5.39423 numMergedOcc 0
7 mol 214 unq 0 iso 0 dist 9.46363 11.4312 5.10016 10.9346 7.06087 4.82712 numMergedOcc 0
8 mol 219 unq 0 iso 0 dist 9.72263 12.4335 6.65093 9.63443 7.68645 10.0509 numMergedOcc 0
9 mol 219 unq 1 iso 0 dist 9.72263 12.4335 6.65093 7.12445 5.75017 5.48556 numMergedOcc 0
10 mol 219 unq 2 iso 0 dist 9.72263 12.4335 6.65093 12.5322 6.12768 10.9246 numMergedOcc 0
11 mol 219 unq 3 iso 0 dist 9.72263 12.4335 6.65093 9.22518 7.19159 13.5876 numMergedOcc 0
12 mol 219 unq 4 iso 0 dist 9.72263 13.4956 9.93514 9.63443 7.68645 11.5979 numMergedOcc 0
13 mol 219 unq 5 iso 0 dist 9.72263 13.4956 9.93514 7.12445 5.75017 14.2005 numMergedOcc 0
14 mol 219 unq 6 iso 0 dist 9.72263 13.4956 9.93514 12.5322 6.12768 10.1098 numMergedOcc 0
15 mol 219 unq 7 iso 0 dist 9.72263 13.4956 9.93514 9.22518 7.19159 5.49378 numMergedOcc 0
16 mol 219 unq 8 iso 0 dist 9.65487 12.6746 6.65093 13.5278 7.68645 10.0509 numMergedOcc 0
17 mol 219 unq 9 iso 0 dist 9.65487 12.6746 6.65093 9.05006 5.75017 5.48556 numMergedOcc 0
18 mol 219 unq 10 iso 0 dist 9.65487 12.6746 6.65093 9.3707 6.12768 10.9246 numMergedOcc 0
19 mol 219 unq 11 iso 0 dist 9.65487 12.6746 6.65093 8.41263 7.19159 13.5876 numMergedOcc 0
20 mol 219 unq 12 iso 0 dist 9.65487 13.8617 9.93514 13.5278 7.68645 11.5979 numMergedOcc 0
21 mol 219 unq 13 iso 0 dist 9.65487 13.8617 9.93514 9.05006 5.75017 14.2005 numMergedOcc 0
22 mol 219 unq 14 iso 0 dist 9.65487 13.8617 9.93514 9.3707 6.12768 10.1098 numMergedOcc 0
23 mol 219 unq 15 iso 0 dist 9.65487 13.8617 9.93514 8.41263 7.19159 5.49378 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 5.82844 5.01153 6.54801 5.132 6.51465 4.84291 numMergedOcc 0
25 mol 251 unq 0 iso 0 dist 9.31994 8.97824 8.63134 9.90201 9.207 15.4745 numMergedOcc 0
26 mol 251 unq 1 iso 0 dist 4.63025 12.3076 8.63134 5.60154 9.207 15.4745 numMergedOcc 0
27 mol 281 unq 0 iso 0 dist 9.4458 5.58886 9.55134 7.12638 6.49441 5.71767 numMergedOcc 0
28 mol 281 unq 1 iso 0 dist 8.9745 10.2235 9.55134 10.7592 6.49441 5.71767 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 7.06369 4.91258 8.45077 8.38263 8.89057 9.453 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 7.06369 4.91258 8.45077 12.0507 7.97266 14.5796 numMergedOcc 0
