0 mol 7 unq 0 iso 0 dist 5.83658 4.47024 6.58469 10.826 9.60499 14.3576 4.91115 6.02702 8.60435 8.43473 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.18518 8.63204 5.18512 14.1404 8.4674 10.1882 10.5195 6.41575 6.39966 4.64838 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.18518 8.63204 5.18512 6.57145 4.54938 6.92532 10.5195 6.41575 6.39966 4.97119 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 8.18518 8.63204 5.18512 6.01189 7.82074 6.36455 10.5195 6.41575 6.39966 6.01808 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.85331 4.61828 6.00575 9.20254 6.86014 6.60423 10.7574 7.33768 9.69752 4.32034 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.85331 4.61828 6.00575 9.20254 6.86014 6.60423 12.8157 7.29868 9.36461 8.52463 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.8058 8.4928 9.62257 5.09908 8.33063 9.96399 11.6385 11.816 4.65127 11.2415 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 8.8058 8.4928 9.62257 12.5818 6.43294 10.0962 11.6385 11.816 4.65127 9.49968 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 8.8058 8.4928 9.62257 10.0675 8.7531 7.55695 11.6385 11.816 4.65127 5.94827 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 7.16583 6.59253 5.36954 6.77761 7.79912 11.1537 6.05353 9.81166 7.6433 11.4997 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.57498 6.14415 9.52882 6.89762 6.45675 7.12017 10.0156 15.8683 9.5669 9.75737 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 9.24515 7.73842 11.128 5.24877 7.5732 6.34525 14.9324 19.2926 9.35942 12.7083 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 7.63268 9.53031 4.46081 7.63236 9.96154 8.47347 10.4355 9.38004 5.73306 6.43967 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 13.0565 9.07471 9.08955 7.75466 numMergedOcc 0
14 mol 222 unq 1 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 15.9525 9.8062 8.88664 12.1951 numMergedOcc 0
15 mol 222 unq 2 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 15.2255 10.6381 7.16819 11.6161 numMergedOcc 0
16 mol 222 unq 3 iso 0 dist 7.27481 9.04499 6.42798 5.90074 7.54212 12.5287 13.0565 9.07471 9.08955 13.3447 numMergedOcc 0
17 mol 222 unq 4 iso 0 dist 7.27481 9.04499 6.42798 5.90074 7.54212 12.5287 15.9525 9.8062 8.88664 16.6175 numMergedOcc 0
18 mol 222 unq 5 iso 0 dist 7.27481 9.04499 6.42798 5.90074 7.54212 12.5287 15.2255 10.6381 7.16819 17.2221 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 4.78812 7.11691 8.7909 5.27123 8.33638 8.46061 8.64133 13.0773 9.18635 6.32008 numMergedOcc 0
20 mol 272 unq 1 iso 0 dist 6.62923 7.11691 4.86504 11.9042 9.97651 9.64269 8.64133 12.0724 9.18635 10.2227 numMergedOcc 0
21 mol 272 unq 2 iso 0 dist 6.62923 7.11691 4.86504 5.27123 8.46116 8.46061 8.64133 12.0724 9.18635 6.32008 numMergedOcc 0
