0 mol 6 unq 0 iso 0 dist 4.76488 8.62458 9.07564 10.9178 6.94663 9.5447 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 6.50154 5.96121 6.77807 9.53377 7.60549 6.18431 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 4.79838 9.58844 9.89425 8.73067 6.76736 6.859 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.40236 4.01494 5.72005 8.19695 3.73148 6.41656 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.40236 4.01494 5.72005 7.02548 6.08459 8.54034 numMergedOcc 0
5 mol 29 unq 0 iso 0 dist 5.34723 4.60536 5.99655 10.583 9.01071 9.41017 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.11491 4.1859 9.04293 9.63599 5.84075 9.77084 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 9.11491 8.68431 4.78333 9.63599 5.84075 6.5551 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 7.90338 5.72646 8.18375 11.031 6.07693 8.02443 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 7.90338 5.72646 8.18375 7.87237 5.25584 9.09458 numMergedOcc 0
10 mol 79 unq 4 iso 0 dist 5.82384 6.19285 4.74254 9.71811 5.41884 6.5551 numMergedOcc 0
11 mol 79 unq 5 iso 0 dist 7.15907 4.47084 4.74254 8.01743 5.41884 6.5551 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 5.61151 7.2898 4.29937 6.05495 5.22259 5.05893 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 5.61151 4.13305 3.65628 6.05495 5.22259 5.71866 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 6.54289 7.2898 5.37869 6.05495 7.66499 5.05893 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 6.54289 4.13305 4.05415 6.05495 7.66499 5.71866 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 7.52869 8.37735 5.37869 12.216 7.66499 5.05893 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 7.52869 6.66973 4.05415 12.216 7.66499 5.71866 numMergedOcc 0
18 mol 85 unq 6 iso 0 dist 9.18945 6.17924 5.37869 10.5858 7.66499 5.05893 numMergedOcc 0
19 mol 85 unq 7 iso 0 dist 9.18945 7.15173 4.05415 10.5858 7.66499 5.71866 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 6.24036 11.1693 9.34653 17.0819 13.2309 6.88127 numMergedOcc 0
21 mol 193 unq 0 iso 0 dist 6.21648 5.4245 6.94187 10.2835 5.96435 8.15661 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 9.81165 10.9008 7.88986 15.9677 10.4367 8.31721 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 8.3107 6.2381 9.59928 7.69296 6.28944 5.31416 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 8.3107 9.8806 7.70062 7.69296 6.28944 5.44533 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 8.8385 12.1038 7.49606 14.0908 7.28821 9.31888 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 3.93401 6.87619 9.21469 5.7131 4.30125 8.6233 numMergedOcc 0
