0 mol 54 unq 0 iso 0 dist 9.83754 4.74235 9.75003 11.0361 16.7397 7.56581 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.83754 4.74235 9.75003 11.4465 17.2265 9.22021 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 5.01162 4.74235 6.95846 11.0361 11.9881 7.56581 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 5.01162 4.74235 6.95846 11.4465 10.3564 9.22021 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.70814 4.9408 8.91274 7.7978 6.34264 8.49118 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 5.58384 5.9805 8.91274 9.55751 6.34264 8.49118 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 9.3913 7.783 7.86924 10.9296 7.38915 7.13406 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 9.73488 5.77652 9.48548 13.6332 13.3187 8.31314 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.10386 12.2635 8.91833 11.0671 8.31041 9.33919 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.10386 12.2635 8.91833 6.18305 5.44275 9.79143 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.10386 12.2635 8.91833 13.2599 11.2674 6.43377 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 6.61879 3.90152 5.84829 11.3075 10.9449 7.48658 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 6.61879 3.90152 5.84829 9.5359 5.51133 7.20279 numMergedOcc 0
13 mol 108 unq 0 iso 0 dist 9.82453 13.1687 9.4344 20.2645 12.692 9.56285 numMergedOcc 0
14 mol 110 unq 0 iso 0 dist 6.70591 4.97855 4.9088 12.3607 9.01856 8.76445 numMergedOcc 0
15 mol 110 unq 1 iso 0 dist 5.43052 4.6178 4.9088 8.181 9.01856 8.76445 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.44788 5.4578 8.82502 6.18763 6.83988 9.70093 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 9.44788 5.4578 8.82502 5.63005 12.1168 6.69217 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 8.88979 12.5475 6.99723 13.6355 9.75166 5.72373 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 8.88979 12.5475 6.99723 18.5189 12.9471 7.20988 numMergedOcc 0
20 mol 219 unq 0 iso 0 dist 8.62654 5.53139 7.44159 10.5566 11.5979 5.40597 numMergedOcc 0
21 mol 219 unq 1 iso 0 dist 8.62654 5.53139 7.44159 9.97512 14.2005 7.66784 numMergedOcc 0
22 mol 219 unq 2 iso 0 dist 8.62654 5.53139 7.44159 4.87446 10.1098 8.69579 numMergedOcc 0
23 mol 219 unq 3 iso 0 dist 8.62654 5.53139 7.44159 7.49235 5.49378 6.71733 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.36753 11.1368 9.71144 12.3151 4.74041 7.72403 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 9.36753 11.1368 9.71144 7.86368 6.16697 6.35438 numMergedOcc 0
26 mol 234 unq 2 iso 0 dist 9.36753 11.1368 9.71144 11.8838 16.1011 9.57132 numMergedOcc 0
27 mol 234 unq 3 iso 0 dist 6.56262 7.31442 7.87975 7.50424 4.93539 7.27632 numMergedOcc 0
28 mol 244 unq 0 iso 0 dist 9.91271 9.56055 7.76796 13.4604 6.51077 7.27258 numMergedOcc 0
29 mol 244 unq 1 iso 0 dist 9.91271 9.56055 7.76796 13.4982 11.9809 5.29811 numMergedOcc 0
30 mol 245 unq 0 iso 0 dist 5.48167 7.03955 7.21119 13.9833 10.8672 8.49651 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 9.37687 11.6106 6.5266 7.67598 9.07441 9.72168 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.12505 12.2326 7.14243 16.632 7.52275 9.82018 numMergedOcc 0
