0 mol 33 unq 0 iso 0 dist 9.90906 4.88209 5.65377 8.87925 6.08005 7.15141 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 9.4814 8.78181 5.65377 13.2605 6.08005 7.15141 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.57773 5.74711 6.46263 10.5402 9.65953 7.51978 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.90372 14.6676 9.32172 15.1326 9.0996 7.80757 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 8.90372 14.6676 9.32172 14.6312 6.50212 5.5849 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 8.90372 11.0957 8.93486 14.6312 6.50212 8.75605 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 9.1584 8.12715 9.48877 16.2093 13.3199 9.51842 numMergedOcc 0
7 mol 89 unq 1 iso 0 dist 9.1584 8.12715 9.48877 8.85873 10.5017 8.25651 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 8.81788 6.39254 5.23177 13.2479 5.55005 7.47827 numMergedOcc 0
9 mol 91 unq 1 iso 0 dist 7.01323 6.39254 6.77052 13.2479 9.57561 7.47827 numMergedOcc 0
10 mol 91 unq 2 iso 0 dist 7.23655 10.2245 8.56547 10.65 7.45926 7.47827 numMergedOcc 0
11 mol 91 unq 3 iso 0 dist 6.26129 10.2245 5.23177 10.65 5.55005 7.47827 numMergedOcc 0
12 mol 91 unq 4 iso 0 dist 5.8881 10.2245 6.77052 10.65 9.57561 7.47827 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 9.1984 9.17593 9.66944 13.026 9.57454 5.94478 numMergedOcc 0
14 mol 110 unq 0 iso 0 dist 7.36326 6.88366 5.33139 7.77678 5.33778 6.59361 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.22064 7.32034 7.65424 10.3587 4.93029 4.93035 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 9.22064 7.32034 7.65424 16.1198 10.28 9.75558 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.76429 11.9118 8.46429 13.6375 7.37734 5.63906 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 7.78107 6.91862 6.43416 11.5222 6.75711 5.52981 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 7.78107 6.91862 6.43416 8.95233 9.70376 6.22077 numMergedOcc 0
20 mol 218 unq 2 iso 0 dist 6.89237 9.87595 6.43416 12.9413 6.75711 5.52981 numMergedOcc 0
21 mol 218 unq 3 iso 0 dist 6.89237 9.87595 6.43416 12.1686 9.70376 6.22077 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 6.74917 6.85131 6.4889 12.196 9.42665 9.78185 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 5.67503 5.30097 5.90175 8.49415 4.75685 4.96568 numMergedOcc 0
