0 mol 90 unq 0 iso 0 dist 7.30343 5.75015 6.86146 12.0705 7.57639 7.31784 11.3039 5.06489 9.08732 5.97902 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 8.30176 4.94804 7.39754 12.5621 15.1698 8.57827 11.9913 13.7136 7.87729 4.15826 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 8.30176 4.94804 7.39754 11.9396 6.82081 7.94453 11.9913 13.7136 7.87729 10.1482 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 7.20953 6.14305 8.44437 10.2291 7.41096 7.71923 12.6605 8.03743 9.09664 5.8332 numMergedOcc 0
4 mol 105 unq 1 iso 0 dist 7.20953 6.14305 8.44437 10.4111 4.88348 9.87821 12.6605 8.03743 9.09664 6.30722 numMergedOcc 0
5 mol 105 unq 2 iso 0 dist 7.20953 6.14305 8.44437 5.03173 4.22355 7.09806 12.6605 8.03743 9.09664 9.73765 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.39683 12.4067 7.76594 14.0282 5.66194 5.39061 16.4794 9.93041 4.48699 4.94367 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 6.40901 7.12863 5.73236 9.30424 5.99865 6.95372 8.08798 7.87644 5.66207 4.5497 numMergedOcc 0
8 mol 143 unq 1 iso 0 dist 6.40901 7.12863 5.73236 9.30424 5.99865 6.95372 11.6098 5.29609 8.56866 6.36052 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 8.49473 13.3907 5.90883 19.098 11.3995 7.46845 13.6418 6.69196 5.22104 5.64188 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 6.87906 10.5496 5.90883 17.5659 11.3995 7.46845 13.0972 6.69196 5.22104 5.64188 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 9.54367 10.5496 8.06913 17.5659 11.6326 7.46845 13.0972 7.91467 5.22104 5.64188 numMergedOcc 0
12 mol 156 unq 3 iso 0 dist 7.94975 9.19336 5.90883 14.6329 11.3995 7.46845 12.5088 6.69196 5.22104 5.64188 numMergedOcc 0
13 mol 156 unq 4 iso 0 dist 7.26859 9.19336 8.06913 14.6329 11.6326 7.46845 12.5088 7.91467 5.22104 5.64188 numMergedOcc 0
14 mol 156 unq 5 iso 0 dist 9.39865 4.24398 5.90883 9.67663 11.3995 7.46845 8.90564 6.69196 5.22104 5.64188 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.59034 8.37278 7.23293 11.6006 5.91678 5.45675 12.0223 9.42515 8.46395 5.39534 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 8.76185 5.08201 6.22972 10.3878 3.98356 9.41624 6.17074 5.43768 7.06636 6.18551 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 9.77862 12.0339 5.52678 11.6497 5.92931 6.37788 12.7281 7.82899 5.13892 3.7326 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 9.77862 12.0339 5.52678 11.6497 5.92931 6.37788 13.0738 10.0237 5.78717 7.29209 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 9.77862 18.7006 9.81666 11.6497 5.92931 8.7028 12.7281 7.82899 8.2232 3.7326 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 7.35569 16.0031 9.84466 17.6256 10.634 6.11495 15.1016 8.0982 9.61703 5.74428 numMergedOcc 0
