0 mol 9 unq 0 iso 0 dist 8.77074 11.5622 8.29595 14.7962 8.69493 16.6981 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77074 11.5622 8.29595 15.5258 7.02963 13.0211 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.37544 6.56327 7.43154 10.9658 9.06172 11.7579 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 4.92955 6.40817 7.43154 6.24438 9.06172 11.7579 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 5.9644 11.2919 9.16658 4.55823 8.34374 13.3077 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.53468 9.70734 8.91206 5.48316 9.23537 6.93186 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.53468 5.41551 8.67513 5.48316 9.23537 7.21044 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 5.90954 9.93198 8.91206 8.01468 9.23537 6.93186 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 5.90954 5.54987 8.67513 8.01468 9.23537 7.21044 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 5.69384 6.05149 6.07578 7.96805 7.52634 10.2713 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 9.07172 9.31366 8.40669 5.23504 6.54474 5.47516 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 9.2042 7.10961 6.31314 13.2178 8.49918 6.14743 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 8.84125 4.0252 6.76315 5.24909 9.99089 6.26917 numMergedOcc 0
13 mol 183 unq 1 iso 0 dist 8.23616 5.66126 6.76315 5.7389 9.99089 6.26917 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.47421 14.9776 8.74308 12.1018 5.86234 4.96821 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 7.47107 14.7761 8.63008 12.2364 9.13708 15.0013 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 5.31079 6.60799 9.3439 10.9196 6.648 14.6366 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 8.12518 5.22879 9.33735 6.07494 5.05201 9.25003 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.39659 5.57126 9.54884 7.00525 8.7324 7.07103 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 8.25445 6.31111 7.25797 7.00525 8.23438 10.9544 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 8.25445 6.31111 7.25797 9.84205 9.6996 5.98829 numMergedOcc 0
21 mol 266 unq 3 iso 0 dist 8.25445 5.57126 6.03938 7.00525 8.23438 7.07103 numMergedOcc 0
22 mol 266 unq 4 iso 0 dist 8.25445 5.57126 6.03938 9.84205 9.6996 5.11334 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 8.36282 14.2164 7.11691 5.50225 6.49719 11.1921 numMergedOcc 0
24 mol 272 unq 1 iso 0 dist 8.36282 14.2164 7.11691 9.7581 5.7564 6.07797 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 5.63154 13.1905 8.84798 13.0129 7.92537 9.69939 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 9.2542 9.02274 9.21767 14.9507 8.11918 11.2697 numMergedOcc 0
27 mol 294 unq 1 iso 0 dist 9.2542 5.83603 6.16375 14.9507 8.11918 10.5231 numMergedOcc 0
