0 mol 90 unq 0 iso 0 dist 7.63894 12.3706 6.86146 11.8687 5.75015 7.30343 numMergedOcc 0
1 mol 90 unq 1 iso 0 dist 6.17315 9.78924 6.86146 6.11881 5.75015 7.30343 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.01303 7.6296 9.01011 9.20639 4.76302 8.30176 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 9.92785 11.8293 7.8674 14.7314 8.01991 7.85041 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 8.21739 3.74136 5.51624 5.77804 9.97157 7.85041 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 4.78377 3.74136 7.8674 5.77804 8.01991 7.85041 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.26098 5.73872 7.63127 14.7366 10.833 9.9016 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 7.83509 4.52246 9.23528 6.36426 6.29593 5.1101 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 7.83509 4.52246 9.23528 7.06711 11.2831 7.01133 numMergedOcc 0
9 mol 147 unq 2 iso 0 dist 7.01483 5.88056 9.23528 7.6489 6.29593 5.1101 numMergedOcc 0
10 mol 147 unq 3 iso 0 dist 7.01483 5.88056 9.23528 11.6758 11.2831 7.01133 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.96911 6.03398 4.9941 12.3821 14.2138 9.54367 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 6.96911 6.03398 4.9941 13.1092 10.1294 7.26859 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 7.67051 6.25864 7.3546 13.7532 9.79955 8.21476 numMergedOcc 0
14 mol 163 unq 1 iso 0 dist 7.67051 6.25864 7.3546 12.717 12.6283 7.66897 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 7.10883 8.96094 6.53728 10.5309 7.13893 7.29542 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.24118 15.4849 9.89583 16.5842 10.6355 7.61203 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 8.24118 15.4849 9.89583 12.3291 6.48619 9.47845 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 8.24118 15.4849 9.89583 13.6646 5.8333 6.92409 numMergedOcc 0
19 mol 238 unq 3 iso 0 dist 8.24118 15.4849 9.89583 20.6607 16.1577 6.89694 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 4.37724 10.0048 7.41079 10.5444 8.73481 8.32473 numMergedOcc 0
