0 mol 11 unq 0 iso 0 dist 6.97875 7.75648 9.53002 11.5857 10.7048 4.79838 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 8.52254 6.79455 7.41857 7.53194 3.53534 9.28732 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.36645 4.16088 8.09058 5.43913 3.63758 7.03832 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 5.36645 4.16088 8.09058 8.26877 6.88863 7.16443 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 4.24428 5.14919 5.64598 7.02693 3.85805 7.78587 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.30194 5.14919 4.65521 7.02693 5.17781 7.78587 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 5.79954 13.1044 8.70133 10.3601 4.73407 7.78587 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.01889 15.124 8.70133 8.58248 4.73407 7.78587 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 4.83274 13.8036 9.49449 5.91098 3.69293 8.90522 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.89214 6.63393 9.49449 4.86523 3.69293 8.90522 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 5.49623 6.26867 7.87814 10.1173 8.95695 5.82384 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 7.76275 8.71166 9.2603 11.3506 4.47193 9.08952 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.30103 9.81259 7.06013 13.6006 13.4866 7.03417 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 8.19156 5.01204 6.96442 8.53631 4.97363 5.96977 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 7.73139 11.54 9.81878 16.2733 12.7606 7.79077 numMergedOcc 0
15 mol 127 unq 1 iso 0 dist 6.66607 6.09683 9.81878 12.6869 12.7606 7.79077 numMergedOcc 0
16 mol 127 unq 2 iso 0 dist 8.62711 13.376 9.81878 14.5617 12.7606 7.79077 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.7292 11.695 5.90931 6.46946 6.49075 9.58537 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 8.47248 15.9026 8.60247 24.6925 16.4035 9.86587 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 9.88212 12.7227 7.17547 20.806 14.5747 8.5244 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.67966 8.71179 9.39181 14.9941 11.1346 6.81195 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.89538 13.2905 6.77463 8.62485 5.7648 8.71877 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.26156 13.2114 7.20082 14.8866 8.19606 9.82674 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 7.54586 5.34142 8.09363 6.33954 4.6374 5.85613 numMergedOcc 0
24 mol 256 unq 1 iso 0 dist 8.43264 8.04009 5.24676 10.6552 6.73995 5.85613 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 7.54805 8.3872 6.34034 9.50841 7.71667 8.03604 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 7.72749 13.5492 9.02188 14.0055 7.84345 9.50158 numMergedOcc 0
