0 mol 24 unq 0 iso 0 dist 8.15652 8.59466 9.24958 10.2518 9.6739 5.87895 13.5454 15.9056 6.7228 9.22152 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.44893 14.0586 9.24958 15.4913 9.6739 5.87895 20.665 15.9056 6.7228 9.22152 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 9.62428 5.27838 7.77916 12.0336 11.7226 8.21553 4.84735 11.0196 6.10737 8.92529 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.9387 10.4339 8.67766 13.0961 5.02505 7.4371 15.3103 8.71813 9.09837 8.53914 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.08064 8.14279 8.56003 13.5563 5.94764 8.96061 15.3084 11.1999 8.99025 8.76088 numMergedOcc 0
5 mol 189 unq 0 iso 0 dist 9.5853 5.56399 8.56355 8.01521 8.53414 8.57361 9.29575 10.8828 6.35993 6.38294 numMergedOcc 0
6 mol 220 unq 0 iso 0 dist 8.84133 12.0174 5.45036 5.60195 5.41948 8.9077 5.84371 12.6994 13.6952 9.89039 numMergedOcc 0
7 mol 220 unq 1 iso 0 dist 8.84133 12.0174 5.45036 5.60195 5.41948 8.9077 12.9073 12.3489 13.8822 8.57174 numMergedOcc 0
8 mol 220 unq 2 iso 0 dist 8.81001 9.89208 5.45036 7.87359 5.41948 8.9077 4.72275 12.6994 13.6952 9.89039 numMergedOcc 0
9 mol 220 unq 3 iso 0 dist 8.81001 9.89208 5.45036 7.87359 5.41948 8.9077 15.2936 12.3489 13.8822 8.57174 numMergedOcc 0
10 mol 229 unq 0 iso 0 dist 7.09453 9.68525 5.77318 14.5903 7.57247 8.0007 15.145 10.0674 8.75723 7.48693 numMergedOcc 0
11 mol 229 unq 1 iso 0 dist 8.69109 11.9018 5.77318 14.4779 7.57247 8.0007 12.6581 10.0674 8.75723 7.48693 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 9.33359 12.8358 8.50331 14.2393 7.05684 6.36941 5.81446 5.6241 7.45579 8.63249 numMergedOcc 0
13 mol 240 unq 0 iso 0 dist 5.46783 14.5429 9.47583 11.3751 8.30926 6.83069 13.4922 8.67485 5.36005 7.19218 numMergedOcc 0
14 mol 240 unq 1 iso 0 dist 5.46783 13.8996 8.44909 11.3751 8.30926 9.30995 13.4922 8.67485 4.4564 7.19218 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 5.67349 6.39263 8.60026 6.93654 11.2562 8.50313 4.95392 10.2554 6.88989 7.58385 numMergedOcc 0
16 mol 261 unq 1 iso 0 dist 5.67349 6.39263 8.60026 6.93654 11.2562 8.50313 6.94755 11.2569 4.25662 6.0437 numMergedOcc 0
17 mol 261 unq 2 iso 0 dist 5.67349 6.39263 8.60026 9.66298 13.4429 7.6414 6.94755 11.2569 4.25662 4.85199 numMergedOcc 0
18 mol 261 unq 3 iso 0 dist 5.67349 6.39263 8.60026 9.66298 13.4429 7.6414 17.3605 21.1638 12.864 9.72159 numMergedOcc 0
