0 mol 43 unq 0 iso 0 dist 8.21247 15.2071 8.34145 12.7934 4.96926 6.66407 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.73179 5.34337 9.59729 12.6902 13.5024 8.13108 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 6.55112 6.38237 9.59729 7.46657 5.31985 6.72869 numMergedOcc 0
3 mol 76 unq 2 iso 0 dist 6.55112 6.38237 9.59729 14.209 15.4159 9.85905 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.26763 4.0291 8.64934 10.1201 5.09159 9.76379 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 6.30814 4.0291 8.7515 10.1201 10.867 9.76379 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 9.15226 4.59356 9.17843 9.94398 4.4598 9.16718 numMergedOcc 0
7 mol 105 unq 1 iso 0 dist 9.15226 4.59356 9.17843 11.104 8.50101 7.94633 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.89346 4.72614 7.48208 10.229 6.9945 8.26547 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.89346 4.72614 7.48208 11.7793 4.19723 9.05342 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 9.65468 6.69138 9.43904 7.69229 5.65603 7.37333 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 9.65468 6.82744 7.01095 7.69229 5.65603 7.45998 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.92597 10.023 5.03818 15.9231 8.97813 6.49765 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 7.53734 10.1222 5.03818 11.2748 8.97813 6.49765 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 9.79826 9.99561 5.03818 6.23932 8.97813 6.49765 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 8.99484 4.76575 9.37602 6.23025 4.64118 7.60269 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 8.76745 8.30723 6.09335 11.5171 4.1511 5.23634 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 8.76745 8.30723 6.09335 9.79656 4.69247 6.91318 numMergedOcc 0
18 mol 227 unq 2 iso 0 dist 9.34023 5.92282 8.85955 8.27093 4.664 5.23634 numMergedOcc 0
19 mol 227 unq 3 iso 0 dist 9.34023 5.92282 8.85955 9.02226 8.49509 6.91318 numMergedOcc 0
20 mol 227 unq 4 iso 0 dist 5.77762 5.92282 6.09335 8.27093 4.1511 5.23634 numMergedOcc 0
21 mol 227 unq 5 iso 0 dist 5.77762 5.92282 6.09335 9.02226 4.69247 6.91318 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 7.93194 3.89748 6.03081 10.6239 9.72447 8.19317 numMergedOcc 0
23 mol 235 unq 1 iso 0 dist 7.93194 3.89748 6.03081 8.69551 4.21867 5.1823 numMergedOcc 0
24 mol 235 unq 2 iso 0 dist 7.93194 5.99438 5.1874 10.6239 9.72447 6.29377 numMergedOcc 0
25 mol 235 unq 3 iso 0 dist 7.93194 5.99438 5.1874 8.69551 4.21867 5.70635 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 8.89434 13.1212 8.30024 17.7959 10.2068 8.69318 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 6.42951 13.1828 7.16209 14.8509 11.2997 9.57499 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 6.42951 13.1828 7.16209 9.92831 4.40029 5.46926 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 6.42951 13.1828 7.16209 4.81916 3.97543 8.9682 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 6.42951 10.6994 4.62936 9.92831 4.40029 5.13913 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 6.42951 10.6994 4.62936 4.81916 3.97543 6.92711 numMergedOcc 0
