0 mol 18 unq 0 iso 0 dist 5.32149 4.86477 9.1397 7.66002 10.1168 6.19657 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 7.62357 9.02471 14.8259 11.2139 8.25915 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 16.9091 9.02471 16.7696 11.2139 8.25915 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 7.77678 10.0513 9.10911 13.8509 8.6616 9.45247 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 6.34542 11.2375 9.06601 10.3078 4.48869 8.48433 numMergedOcc 0
5 mol 169 unq 0 iso 0 dist 6.28961 11.6543 8.34216 11.1911 5.19746 8.05059 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 6.09874 14.1844 9.70481 11.0059 5.07895 6.19329 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 6.0639 4.59453 9.65093 7.21359 5.85613 8.51947 numMergedOcc 0
8 mol 195 unq 0 iso 0 dist 7.39185 4.22848 6.59544 12.7618 7.95188 9.84051 numMergedOcc 0
9 mol 195 unq 1 iso 0 dist 4.78641 4.65343 6.59544 7.66181 7.95188 9.84051 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 6.18446 9.33865 9.23086 12.7699 8.69245 7.06868 numMergedOcc 0
11 mol 197 unq 1 iso 0 dist 9.7541 4.37387 8.37086 9.64653 4.6678 7.06868 numMergedOcc 0
12 mol 231 unq 0 iso 0 dist 6.02527 11.6594 9.9868 14.0372 9.0084 8.27156 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 7.57253 11.393 8.25985 12.4361 4.90814 9.69133 numMergedOcc 0
14 mol 252 unq 0 iso 0 dist 7.91348 5.45887 8.55044 11.315 9.74925 6.71152 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 6.95233 4.5731 9.29666 7.45814 11.1633 7.66814 numMergedOcc 0
