0 mol 43 unq 0 iso 0 dist 9.72346 5.5249 7.39848 12.9096 4.2509 9.89546 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.45173 5.46715 7.39848 7.29373 4.2509 9.89546 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.98764 5.53115 7.37171 6.35752 10.9695 5.62694 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.39407 6.88429 6.38004 9.20807 5.08555 8.82395 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 7.09988 12.8769 9.45682 7.20322 3.35244 7.02709 numMergedOcc 0
5 mol 107 unq 1 iso 0 dist 7.73898 14.6256 9.45682 9.72795 3.35244 7.02709 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.25771 13.2553 9.30832 10.8928 4.43124 5.94552 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 8.0889 5.61914 7.53694 6.21509 3.47821 8.1671 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 8.87379 10.3931 5.39356 12.6028 10.7946 8.82676 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 8.87379 5.84594 5.01504 9.38764 4.3068 7.46793 numMergedOcc 0
10 mol 127 unq 2 iso 0 dist 8.87379 5.0826 6.80627 9.38764 4.3068 9.50837 numMergedOcc 0
11 mol 127 unq 3 iso 0 dist 8.87379 5.0826 6.80627 12.6028 10.7946 8.17522 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.6283 6.13422 6.93931 8.13982 5.64335 6.02579 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 8.42431 9.48802 4.51255 18.1456 9.90756 9.73419 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 8.42431 9.48802 4.51255 16.5693 13.815 9.99824 numMergedOcc 0
15 mol 206 unq 2 iso 0 dist 8.42431 13.5013 6.23183 18.1456 9.90756 6.11803 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.82533 9.61733 6.76495 10.3176 4.05528 7.98028 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 8.82533 9.61733 6.76495 12.0534 5.72883 8.13183 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 8.82533 12.8434 5.4557 10.3176 4.05528 5.8473 numMergedOcc 0
19 mol 258 unq 3 iso 0 dist 8.82533 12.8434 5.4557 12.0534 5.72883 6.78929 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 8.70774 9.57081 4.9764 14.7822 11.4713 6.64082 numMergedOcc 0
