0 mol 24 unq 0 iso 0 dist 8.70141 9.42167 4.87192 10.3497 9.65174 7.19357 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.81334 12.0265 9.23985 7.43211 6.97741 5.39278 numMergedOcc 0
2 mol 111 unq 0 iso 0 dist 9.82548 15.1654 6.63857 14.3069 4.72339 5.39108 numMergedOcc 0
3 mol 111 unq 1 iso 0 dist 9.82548 15.1654 6.63857 11.6056 6.48902 7.4253 numMergedOcc 0
4 mol 111 unq 2 iso 0 dist 9.82548 15.1654 6.63857 10.8119 7.21505 13.201 numMergedOcc 0
5 mol 140 unq 0 iso 0 dist 7.85653 3.66146 9.36023 9.80482 8.3735 9.92974 numMergedOcc 0
6 mol 140 unq 1 iso 0 dist 7.85653 12.5989 9.43159 9.80482 8.3735 3.25348 numMergedOcc 0
7 mol 140 unq 2 iso 0 dist 7.5639 3.66146 6.88264 9.80482 9.25342 9.92974 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 6.92225 5.9424 9.38045 10.5886 8.06621 10.2577 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 9.91132 4.44253 9.37298 3.55677 8.12238 4.31404 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 8.48559 10.7014 6.00293 10.5749 9.56342 5.77936 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 5.80513 7.55428 7.27002 5.5479 9.40912 7.82355 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 9.08628 15.459 6.59925 16.2286 7.6741 3.46183 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 8.35581 12.0623 6.59925 10.3387 7.6741 3.46183 numMergedOcc 0
14 mol 175 unq 2 iso 0 dist 6.72569 9.05904 6.59925 7.28678 7.6741 3.46183 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 9.52012 13.63 9.04642 6.13129 9.19506 16.5799 numMergedOcc 0
16 mol 182 unq 1 iso 0 dist 9.52012 13.63 9.04642 4.38036 9.94904 11.3731 numMergedOcc 0
17 mol 182 unq 2 iso 0 dist 9.52012 13.63 9.04642 9.10159 9.30893 5.85967 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 9.86462 10.27 6.45821 7.57188 5.4621 3.33782 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 9.86462 10.27 6.45821 11.3371 8.91819 9.06704 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.03236 9.87235 8.48604 5.28999 6.19029 4.62296 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 9.81593 4.28835 6.77555 18.713 9.76731 15.1194 numMergedOcc 0
22 mol 252 unq 1 iso 0 dist 9.81593 4.28835 6.77555 15.0079 8.38599 10.8739 numMergedOcc 0
23 mol 252 unq 2 iso 0 dist 9.78248 13.9287 6.77555 3.91004 9.76731 15.1194 numMergedOcc 0
24 mol 252 unq 3 iso 0 dist 9.78248 13.9287 6.77555 3.76825 8.38599 10.8739 numMergedOcc 0
