0 mol 41 unq 0 iso 0 dist 8.19484 5.91275 7.89705 9.90656 7.56029 6.02913 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 9.23241 6.76039 8.83047 6.82319 6.2676 5.86191 numMergedOcc 0
2 mol 53 unq 1 iso 0 dist 9.23241 14.2926 6.95013 6.82319 6.2676 8.21791 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 5.9644 11.2919 9.16658 8.17555 7.4515 5.74753 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.53468 9.70734 8.91206 10.0936 7.69861 13.1036 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.53468 5.41551 8.67513 10.0936 7.69861 7.16384 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 5.90954 9.93198 8.91206 3.45332 7.69861 13.1036 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 5.90954 5.54987 8.67513 3.45332 7.69861 7.16384 numMergedOcc 0
8 mol 74 unq 0 iso 0 dist 9.43699 15.6209 9.4866 8.38339 6.3567 7.39752 numMergedOcc 0
9 mol 74 unq 1 iso 0 dist 5.23115 11.5089 9.4866 8.14688 6.3567 7.39752 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.81334 7.08972 4.66377 10.4613 9.86664 8.26803 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 5.69384 6.05149 6.07578 6.35003 8.04168 5.21981 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 5.69384 6.05149 6.07578 3.45432 5.70907 8.12985 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 6.17362 11.4636 7.50206 6.84628 9.12084 9.41812 numMergedOcc 0
14 mol 128 unq 1 iso 0 dist 6.4416 3.93522 7.50206 8.84157 9.12084 9.41812 numMergedOcc 0
15 mol 128 unq 2 iso 0 dist 6.91935 5.16811 7.50206 4.99095 9.12084 9.41812 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 7.62584 5.11455 4.85559 11.9741 6.5739 7.12852 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 7.62584 10.0429 6.87562 11.9741 6.5739 3.79867 numMergedOcc 0
18 mol 130 unq 2 iso 0 dist 7.39532 7.43279 4.85559 9.25976 6.5739 7.12852 numMergedOcc 0
19 mol 130 unq 3 iso 0 dist 7.39532 10.9627 6.87562 9.25976 6.5739 3.79867 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 9.2042 7.10961 6.31314 5.18463 9.82982 5.93188 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 6.92225 5.52015 7.24115 9.02669 6.11331 4.87865 numMergedOcc 0
22 mol 173 unq 0 iso 0 dist 5.36078 7.46995 4.0037 3.83661 7.17037 9.37239 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 7.47107 14.7761 8.63008 12.1522 5.53324 5.39223 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 7.47107 14.7761 8.63008 5.18485 6.72182 11.8568 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.12518 5.22879 9.33735 10.4658 5.28771 13.5696 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 9.74081 13.9685 7.68769 6.94282 8.7414 12.2324 numMergedOcc 0
27 mol 251 unq 0 iso 0 dist 8.38382 6.58237 5.0953 10.909 6.42747 5.04918 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 5.63154 13.1905 8.84798 3.77031 5.8304 14.4305 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 5.63154 13.1905 8.84798 9.11782 7.37478 6.08238 numMergedOcc 0
