0 mol 90 unq 0 iso 0 dist 7.63894 8.43244 7.54496 6.23206 7.51138 10.2107 numMergedOcc 0
1 mol 90 unq 1 iso 0 dist 7.63894 8.43244 7.54496 12.753 9.86843 10.6903 numMergedOcc 0
2 mol 90 unq 2 iso 0 dist 7.63894 8.43244 7.54496 12.3706 6.86146 10.968 numMergedOcc 0
3 mol 90 unq 3 iso 0 dist 7.63894 8.43244 7.54496 12.9414 8.83296 5.69605 numMergedOcc 0
4 mol 90 unq 4 iso 0 dist 6.17315 12.4268 7.54496 6.59471 7.51138 10.2107 numMergedOcc 0
5 mol 90 unq 5 iso 0 dist 6.17315 12.4268 7.54496 12.5885 9.86843 10.6903 numMergedOcc 0
6 mol 90 unq 6 iso 0 dist 6.17315 12.4268 7.54496 9.78924 6.86146 10.968 numMergedOcc 0
7 mol 90 unq 7 iso 0 dist 6.17315 12.4268 7.54496 14.6058 8.83296 5.69605 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 7.46327 4.55399 7.85041 8.69953 5.51624 9.97157 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 7.46327 4.55399 7.85041 8.48621 7.8674 8.01991 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 5.61533 9.19878 7.92876 7.46433 8.77841 5.7284 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 7.03509 6.68425 9.9016 5.57363 7.63127 10.833 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 9.60646 12.0852 5.1101 16.8694 9.23528 6.29593 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 9.60646 14.0758 7.01133 16.8694 9.23528 11.2831 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 6.96911 5.5355 7.04913 6.03398 4.9941 6.6213 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 9.07256 12.2445 8.21476 15.1824 7.3546 9.79955 numMergedOcc 0
16 mol 163 unq 1 iso 0 dist 9.07256 5.48417 7.66897 15.1824 7.3546 12.6283 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.67802 10.3571 7.94153 14.8027 8.12349 7.0016 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 9.18314 10.5919 7.94153 6.14396 8.12349 7.0016 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 7.84953 10.2089 6.86795 13.3105 8.93185 6.08698 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 7.84953 4.40481 6.61099 13.3105 8.93185 13.6339 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 7.10883 4.42378 5.13453 8.96094 6.53728 8.99405 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.24118 4.40826 9.42618 15.4849 9.89583 18.0054 numMergedOcc 0
