0 mol 11 unq 0 iso 0 dist 4.61088 6.84216 9.68636 4.10106 6.54358 9.89425 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.34347 7.98005 12.5438 7.11305 14.8317 8.97754 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.24927 9.99939 19.1023 7.7766 16.3322 7.34832 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 7.99312 6.40219 6.69486 7.18662 8.76849 5.47447 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 8.2183 6.40219 7.02983 7.18662 11.4753 5.47447 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 7.32874 8.34191 8.44881 6.18181 12.8092 9.86895 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.86465 9.23438 4.59417 13.5805 12.8149 9.10675 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 6.35756 7.17488 4.59417 10.0669 12.8149 9.10675 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 6.64012 6.79356 5.87468 4.00553 9.08221 9.10675 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.70481 7.37171 15.1432 6.41115 15.0347 4.27766 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 6.97941 7.61521 3.69293 4.09069 10.2456 9.57759 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 7.2658 6.38004 4.70965 4.60151 10.5714 9.50709 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.03572 7.51733 4.73066 4.99174 8.27883 4.3439 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 9.03572 7.51733 4.73066 4.46005 5.75428 6.05855 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 8.83255 9.01607 4.73066 8.67311 8.27883 4.3439 numMergedOcc 0
15 mol 95 unq 4 iso 0 dist 8.83255 9.01607 4.73066 3.94293 5.75428 6.05855 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.71338 6.87434 4.69658 6.95317 8.47988 5.92828 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 7.71338 6.87434 4.69658 7.57713 8.0427 9.1247 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 5.86073 9.59585 13.0914 5.70579 8.80934 4.30875 numMergedOcc 0
19 mol 113 unq 1 iso 0 dist 5.86073 9.7073 12.5818 5.70579 8.80934 8.65807 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 6.90986 6.19918 8.66957 4.03602 9.55059 9.45013 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 5.39945 6.19918 6.61688 4.03602 9.24977 9.45013 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 6.44653 8.38358 3.35803 7.64591 9.85307 9.98772 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 9.2313 8.04118 4.05822 4.67662 7.81207 5.42679 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 5.31024 8.04118 4.7832 4.67662 6.14151 5.42679 numMergedOcc 0
25 mol 142 unq 2 iso 0 dist 7.73169 8.39035 4.05822 5.81599 7.81207 5.42679 numMergedOcc 0
26 mol 142 unq 3 iso 0 dist 7.26382 8.39035 4.7832 5.81599 6.14151 5.42679 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 5.99315 8.64905 6.75249 7.39837 5.40637 6.60366 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 5.87555 6.79114 4.68615 4.94983 6.70693 8.60651 numMergedOcc 0
29 mol 152 unq 1 iso 0 dist 8.87437 6.79114 9.35878 4.94983 10.4895 8.60651 numMergedOcc 0
30 mol 169 unq 0 iso 0 dist 8.49164 9.37946 17.056 5.7891 13.0153 4.11374 numMergedOcc 0
31 mol 169 unq 1 iso 0 dist 8.49164 9.13646 13.8168 5.7891 13.0153 8.37602 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 9.61492 9.31158 10.8636 8.97813 15.255 7.68686 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 7.45763 9.31158 5.42503 8.97813 8.95122 7.68686 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 8.01589 5.1609 6.91863 6.84862 14.4477 8.88902 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 7.7699 5.1609 8.26703 6.84862 10.0233 8.88902 numMergedOcc 0
36 mol 222 unq 2 iso 0 dist 7.21333 5.1609 8.89157 6.84862 5.56538 8.88902 numMergedOcc 0
37 mol 231 unq 0 iso 0 dist 7.37839 7.3268 6.63423 4.15084 9.97669 8.48015 numMergedOcc 0
38 mol 231 unq 1 iso 0 dist 8.40182 7.3268 10.3815 4.15084 11.4076 8.48015 numMergedOcc 0
39 mol 253 unq 0 iso 0 dist 6.73034 8.94786 8.57513 10.1605 14.9259 9.454 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 8.29103 4.80903 5.08421 6.30188 12.1068 7.32564 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 9.7748 4.9764 11.8607 3.97543 12.1398 5.13533 numMergedOcc 0
