0 mol 34 unq 0 iso 0 dist 6.57908 9.79566 7.79336 18.5025 14.4774 9.81143 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 6.57908 8.89606 7.08559 18.5025 14.4774 9.78839 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 9.60499 12.858 7.58093 14.1009 5.25639 5.40748 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.22048 15.1001 8.35444 22.3556 15.5086 9.01601 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 4.93077 4.80894 8.35444 12.1671 15.5086 9.01601 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.00373 4.54306 4.44979 4.3761 4.45424 5.33961 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 7.00373 4.54306 4.44979 10.6512 9.31771 9.29816 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 7.00373 4.54306 4.44979 5.84583 9.47873 5.08983 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 7.00373 10.9661 6.61111 17.6857 12.8333 8.3505 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.72056 4.78701 7.43401 8.22824 11.5532 8.78303 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 9.23448 6.98797 4.26972 6.4822 7.03121 5.56446 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 5.83972 6.98797 7.54341 6.4822 5.65619 5.56446 numMergedOcc 0
12 mol 144 unq 0 iso 0 dist 9.54955 8.35821 9.09684 10.1522 13.6501 7.46026 numMergedOcc 0
13 mol 144 unq 1 iso 0 dist 8.98299 4.9743 9.09684 9.87298 13.6501 7.46026 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 9.47487 4.26432 9.27218 8.05227 4.40086 6.0033 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 4.98602 3.86571 8.10546 6.97966 5.26751 8.98005 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 9.13657 4.12865 8.24424 7.09902 5.3674 8.7831 numMergedOcc 0
17 mol 233 unq 1 iso 0 dist 9.13657 7.02682 7.0942 7.09902 5.3674 9.61071 numMergedOcc 0
18 mol 233 unq 2 iso 0 dist 9.13657 8.26863 6.01775 7.09902 5.3674 7.1229 numMergedOcc 0
19 mol 233 unq 3 iso 0 dist 9.13657 8.26863 6.01775 16.043 9.76593 9.55705 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.19369 13.7396 6.23661 12.4734 4.09442 4.95855 numMergedOcc 0
