0 mol 59 unq 0 iso 0 dist 8.05508 9.00229 11.2395 9.34271 10.1462 15.0017 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 9.00229 8.05508 11.2395 9.34271 15.0017 10.1462 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 5.47319 9.8809 8.99811 5.75135 8.67853 10.8149 numMergedOcc 0
3 mol 69 unq 0 iso 1 dist 9.8809 5.47319 8.99811 5.75135 10.8149 8.67853 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 5.9179 9.34782 7.60026 6.10053 4.79453 6.34112 numMergedOcc 0
5 mol 90 unq 0 iso 1 dist 9.34782 5.9179 7.60026 6.10053 6.34112 4.79453 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.4545 7.01176 5.04493 7.29864 11.3522 10.0591 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 7.01176 8.4545 5.04493 7.29864 10.0591 11.3522 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 8.4545 7.01176 5.04493 7.7399 12.2908 13.6054 numMergedOcc 0
9 mol 92 unq 1 iso 1 dist 7.01176 8.4545 5.04493 7.7399 13.6054 12.2908 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.50322 5.82404 8.18495 8.52036 10.3893 11.323 numMergedOcc 0
11 mol 133 unq 0 iso 1 dist 5.82404 9.50322 8.18495 8.52036 11.323 10.3893 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 5.83071 7.07224 6.37803 8.00119 3.81942 8.21023 numMergedOcc 0
13 mol 183 unq 0 iso 1 dist 7.07224 5.83071 6.37803 8.00119 8.21023 3.81942 numMergedOcc 0
14 mol 183 unq 1 iso 0 dist 5.83071 7.07224 6.37803 5.50896 4.62251 4.68341 numMergedOcc 0
15 mol 183 unq 1 iso 1 dist 7.07224 5.83071 6.37803 5.50896 4.68341 4.62251 numMergedOcc 0
16 mol 183 unq 2 iso 0 dist 5.83071 9.82101 7.09808 8.00119 3.81942 10.4469 numMergedOcc 0
17 mol 183 unq 2 iso 1 dist 9.82101 5.83071 7.09808 8.00119 10.4469 3.81942 numMergedOcc 0
18 mol 183 unq 3 iso 0 dist 5.83071 9.82101 7.09808 5.50896 4.62251 9.83938 numMergedOcc 0
19 mol 183 unq 3 iso 1 dist 9.82101 5.83071 7.09808 5.50896 9.83938 4.62251 numMergedOcc 0
20 mol 183 unq 2 iso 0 dist 7.07224 9.82101 7.29791 8.00119 8.21023 10.4469 numMergedOcc 0
21 mol 183 unq 2 iso 1 dist 9.82101 7.07224 7.29791 8.00119 10.4469 8.21023 numMergedOcc 0
22 mol 183 unq 3 iso 0 dist 7.07224 9.82101 7.29791 5.50896 4.68341 9.83938 numMergedOcc 0
23 mol 183 unq 3 iso 1 dist 9.82101 7.07224 7.29791 5.50896 9.83938 4.68341 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 6.25429 6.87731 7.5617 8.3151 12.1426 7.02978 numMergedOcc 0
25 mol 196 unq 0 iso 1 dist 6.87731 6.25429 7.5617 8.3151 7.02978 12.1426 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 8.10287 5.4913 9.33648 5.66636 4.69695 5.42503 numMergedOcc 0
27 mol 205 unq 0 iso 1 dist 5.4913 8.10287 9.33648 5.66636 5.42503 4.69695 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 7.70279 9.29752 6.56633 9.67243 4.14873 5.61663 numMergedOcc 0
29 mol 232 unq 0 iso 1 dist 9.29752 7.70279 6.56633 9.67243 5.61663 4.14873 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 6.55855 9.52894 6.828 9.82713 4.60007 10.9558 numMergedOcc 0
31 mol 274 unq 0 iso 1 dist 9.52894 6.55855 6.828 9.82713 10.9558 4.60007 numMergedOcc 0
