0 mol 26 unq 0 iso 0 dist 8.6112 9.63803 5.23054 13.9089 14.0698 9.56639 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.25641 7.61923 14.0111 11.0602 18.6569 5.87258 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.14996 7.57749 5.91159 7.35107 5.76869 6.03151 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 9.47718 8.55202 5.91159 8.85515 5.76869 6.03151 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.74131 8.59739 3.80156 12.7438 6.96066 6.63733 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 5.96486 5.73799 3.71228 6.32585 10.5119 7.81965 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.84249 4.77996 3.78964 4.59061 9.28645 7.77418 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.72434 5.90003 11.4056 7.49885 11.4486 6.88175 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 9.0455 8.09774 9.05571 9.22336 15.3181 8.46972 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 6.91762 7.25009 5.05961 11.1511 12.9127 8.14405 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.76722 7.30338 8.01699 5.97401 12.187 5.21801 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 8.59783 6.51523 9.12839 12.1824 10.5545 8.09699 numMergedOcc 0
12 mol 171 unq 1 iso 0 dist 8.59783 6.76574 9.74745 5.67061 14.1664 9.38425 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 7.95713 8.8637 3.81315 10.161 9.9224 9.62225 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 7.13496 9.74779 12.6546 6.28221 11.4279 8.72479 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.82564 6.96382 3.72761 5.12308 5.83646 5.41453 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.51177 6.96382 5.17342 5.12308 9.69906 5.41453 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 8.67304 9.01651 7.1875 8.53302 7.85081 5.52484 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 8.36393 8.4275 3.77125 7.50871 5.96202 8.39635 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 8.12306 8.27917 8.02755 10.8233 10.4024 9.26793 numMergedOcc 0
