0 mol 43 unq 0 iso 0 dist 8.60396 8.99509 14.9742 10.6703 9.38335 19.1536 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.60396 8.47617 12.7554 10.6703 9.38335 16.6528 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.60396 5.73331 9.56289 10.6703 9.38335 15.3615 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.60396 8.48694 6.44102 10.6703 9.38335 14.8603 numMergedOcc 0
4 mol 43 unq 4 iso 0 dist 7.48969 6.6657 5.16403 4.14061 9.38335 10.1557 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 7.92027 6.56664 4.47138 6.71938 8.2746 7.56205 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 7.92027 9.58156 10.9596 6.71938 8.2746 4.74544 numMergedOcc 0
7 mol 62 unq 2 iso 0 dist 6.08756 7.99003 4.47138 5.31715 8.2746 7.56205 numMergedOcc 0
8 mol 62 unq 3 iso 0 dist 6.08756 9.52036 4.16095 5.31715 8.2746 10.2668 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.61468 9.45835 7.17843 14.6435 9.4486 11.4999 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 7.62621 8.00525 10.2967 5.75219 5.51406 9.30539 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.84466 9.10877 12.5871 16.0131 7.4518 17.211 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 8.84466 9.10877 12.5871 11.7408 9.1687 17.9577 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.28452 8.29529 14.0364 5.58964 5.37302 9.66219 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.99121 5.22628 6.59772 10.6956 6.66022 11.0224 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.22456 8.94909 17.145 8.11294 9.04845 10.9061 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.7232 8.94909 5.37072 8.11294 6.72323 10.9061 numMergedOcc 0
17 mol 146 unq 0 iso 0 dist 5.3184 8.53451 4.78114 9.68961 7.13378 10.5681 numMergedOcc 0
18 mol 146 unq 1 iso 0 dist 5.3184 7.24965 5.44003 9.68961 7.13378 12.2161 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.94464 9.50454 9.32503 6.15536 9.07527 5.9176 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 8.94464 7.15963 13.2985 6.15536 9.07527 11.602 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 8.63713 9.50454 8.88398 10.5886 8.63119 14.7352 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 8.63713 7.15963 4.98009 10.5886 8.63119 8.90963 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 7.91999 9.14737 5.29309 5.9589 7.40027 6.92924 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 5.92025 5.99137 9.01197 12.8555 8.37813 12.6259 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 5.92025 5.99137 9.01197 6.74257 9.25988 9.73914 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.62592 5.31858 7.52881 12.2121 8.63176 11.2102 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 8.62592 5.71851 12.3042 12.2121 8.63176 15.2576 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 5.76223 8.44108 9.68222 4.34945 6.68863 11.3142 numMergedOcc 0
