0 mol 25 unq 0 iso 0 dist 8.46842 5.70349 7.19007 13.3513 7.57578 12.9796 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.46842 5.70349 7.19007 14.4516 7.17969 12.3239 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 9.73896 8.85466 4.11544 5.84852 6.43774 7.742 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 6.96797 8.85466 4.91588 5.84852 7.2846 7.742 numMergedOcc 0
4 mol 45 unq 2 iso 0 dist 6.96797 8.85466 4.91588 6.5822 7.58835 11.975 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 9.34456 8.29371 4.38244 4.83846 5.86073 5.94552 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.81252 8.49574 3.9247 5.61542 7.35754 8.06359 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 5.47189 5.99965 4.527 5.48717 7.54065 9.83935 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 8.58465 9.64225 6.61139 6.37463 7.54065 12.2442 numMergedOcc 0
9 mol 186 unq 2 iso 0 dist 8.58465 9.64225 6.61139 5.22923 8.87694 10.3718 numMergedOcc 0
10 mol 186 unq 3 iso 0 dist 8.58465 9.64225 6.61139 10.9291 9.70748 9.28036 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 9.00273 7.26706 10.8461 12.3192 8.56633 14.6553 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 9.00273 5.97267 4.91336 12.3192 8.56633 11.5739 numMergedOcc 0
13 mol 197 unq 2 iso 0 dist 7.19387 8.80739 4.91336 11.7609 8.56633 11.5739 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.81925 6.70789 8.6493 9.75789 8.01589 11.9662 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 8.81925 6.70789 8.6493 12.7799 7.7699 15.6298 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 8.81925 6.70789 8.6493 12.5625 7.21333 14.0597 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 9.67544 5.82844 8.88968 6.23286 9.87838 9.68456 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 6.94983 7.68603 8.36582 5.08111 8.27212 10.8158 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 5.27188 5.9811 3.87128 5.34337 7.32223 9.29422 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 6.07571 5.43095 9.6563 8.66797 8.2734 13.4294 numMergedOcc 0
