0 mol 93 unq 0 iso 0 dist 5.89661 6.10639 5.51624 11.8564 5.99863 9.30843 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 5.89661 12.8537 7.8674 11.8564 5.99863 6.25522 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 5.89661 12.8537 7.8674 10.866 6.15015 7.87145 numMergedOcc 0
3 mol 93 unq 3 iso 0 dist 5.89661 12.8537 7.8674 15.2924 10.9803 9.30914 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.20629 8.9683 8.03035 12.8974 10.7475 7.62197 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 5.77628 10.8036 8.93453 4.93944 5.50466 8.88454 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 7.27943 8.26715 8.60521 16.966 13.909 9.48674 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 9.40992 9.19636 5.90883 12.8785 6.69196 5.22104 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 7.44879 13.3524 5.90883 13.0111 6.69196 5.22104 numMergedOcc 0
9 mol 156 unq 2 iso 0 dist 7.64275 13.3524 8.06913 13.0111 7.91467 5.22104 numMergedOcc 0
10 mol 163 unq 0 iso 0 dist 8.67619 6.36862 7.3546 12.4677 6.08019 9.40912 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.03496 5.37893 7.23293 7.62945 9.42515 8.46395 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 7.46207 8.4769 6.22972 6.10013 5.43768 7.06636 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 9.27651 11.3699 8.93185 17.1087 9.11917 8.98941 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 9.27651 11.3699 8.93185 15.8414 10.6889 6.45381 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 9.27651 14.2443 8.22792 17.1087 9.11917 5.4621 numMergedOcc 0
16 mol 218 unq 3 iso 0 dist 9.27651 14.2443 8.22792 15.8414 10.6889 8.91819 numMergedOcc 0
17 mol 250 unq 0 iso 0 dist 9.84682 7.23699 9.60364 10.5052 6.28121 8.62514 numMergedOcc 0
18 mol 250 unq 1 iso 0 dist 8.26719 11.6387 9.60364 11.8583 6.28121 8.62514 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 9.54836 10.1582 5.74568 15.4659 7.06901 8.78525 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 7.50258 7.48529 4.95189 10.8558 9.3694 8.2659 numMergedOcc 0
