0 mol 4 unq 0 iso 0 dist 9.76066 9.0634 6.86951 10.9065 9.80478 6.56189 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.85308 10.9005 6.12485 5.99401 6.66589 6.56189 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 6.85308 7.5562 9.04027 5.99401 6.66589 6.22773 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 8.88042 8.45543 9.5937 6.21612 6.53817 10.1064 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 8.88042 8.45543 9.5937 10.2891 9.81769 11.3627 numMergedOcc 0
5 mol 17 unq 2 iso 0 dist 8.88042 14.3268 7.34681 6.21612 6.53817 13.5023 numMergedOcc 0
6 mol 17 unq 3 iso 0 dist 8.88042 14.3268 7.34681 10.2891 9.81769 15.703 numMergedOcc 0
7 mol 21 unq 0 iso 0 dist 6.9745 4.43555 8.07914 5.10635 8.85347 4.964 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 4.43439 6.7092 7.69637 5.29315 6.85331 9.1927 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 9.63751 7.94322 5.06188 5.82194 8.89758 4.6365 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 8.58444 6.23297 8.70964 9.4133 8.24121 6.57301 numMergedOcc 0
11 mol 69 unq 1 iso 0 dist 8.58444 6.23297 8.70964 5.30368 8.52371 10.2661 numMergedOcc 0
12 mol 69 unq 2 iso 0 dist 8.58444 6.23297 8.70964 6.32264 6.8198 8.09841 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.10336 10.4694 9.23104 10.9299 5.97805 4.80228 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.047 6.64689 8.8353 10.1772 9.89098 16.1558 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 8.96012 9.53698 8.76088 9.4287 8.96061 8.99025 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 9.01737 9.30096 6.36102 5.67895 7.3529 4.06334 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 8.69109 5.54677 4.71683 6.10357 6.73134 7.41812 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 9.48237 16.9403 7.74348 10.4538 9.96011 13.0929 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 8.46784 4.97595 7.19218 6.50481 6.83069 5.36005 numMergedOcc 0
20 mol 240 unq 1 iso 0 dist 8.46784 4.97595 7.19218 7.79218 9.30995 4.4564 numMergedOcc 0
