0 mol 41 unq 0 iso 0 dist 8.19484 5.31016 6.32189 5.91275 7.89705 9.18836 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.37544 6.66861 8.02931 6.56327 7.43154 11.5393 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 4.92955 6.72084 8.02931 6.40817 7.43154 11.5393 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 5.23115 7.26263 5.74282 11.5089 9.4866 12.841 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.34352 7.11127 5.32989 4.24483 7.36744 5.74593 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.34352 6.91655 5.84351 4.24483 7.36744 8.02376 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 9.49192 5.78029 7.31891 13.907 9.7695 15.4757 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.98999 5.42828 7.60016 14.3349 7.35503 14.7827 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.98999 5.42828 7.60016 15.4161 8.79543 16.3122 numMergedOcc 0
9 mol 112 unq 2 iso 0 dist 7.98999 5.42828 7.60016 9.87475 6.48223 10.67 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 6.4416 9.49761 8.06011 3.93522 7.50206 6.51968 numMergedOcc 0
11 mol 128 unq 1 iso 0 dist 6.4416 6.03154 5.19611 3.93522 7.50206 7.61237 numMergedOcc 0
12 mol 128 unq 2 iso 0 dist 7.49024 9.49761 6.42135 3.93522 6.4028 6.51968 numMergedOcc 0
13 mol 128 unq 3 iso 0 dist 7.49024 6.03154 4.68499 3.93522 6.4028 7.61237 numMergedOcc 0
14 mol 128 unq 4 iso 0 dist 6.91935 9.38436 8.06011 5.16811 7.50206 6.51968 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 9.2042 5.60184 13.1849 7.10961 6.31314 12.4333 numMergedOcc 0
16 mol 154 unq 1 iso 0 dist 9.2042 8.86862 10.7443 7.10961 6.31314 12.3901 numMergedOcc 0
17 mol 154 unq 2 iso 0 dist 9.2042 7.08477 11.4511 7.10961 6.31314 10.217 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 7.68295 6.80086 9.56885 5.24208 6.81707 11.0516 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 5.36078 9.51638 11.4153 7.46995 4.0037 9.31172 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 7.47107 8.03512 8.15427 14.7761 8.63008 12.6143 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 5.31079 6.32097 3.95218 6.60799 9.3439 11.1483 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.89698 9.02071 11.085 16.839 9.4626 16.5872 numMergedOcc 0
