0 mol 27 unq 0 iso 0 dist 6.68662 5.80623 5.92112 11.3613 9.11084 7.24775 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.11084 6.75307 6.50158 11.3613 6.68662 11.9083 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 9.11084 7.24775 5.92112 11.3613 6.68662 5.80623 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 8.88147 7.11464 12.2764 5.71189 7.38433 10.3517 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 6.01135 5.70431 4.07844 6.48383 9.08264 10.0443 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 5.72034 8.52499 3.67112 6.21561 6.15203 6.2449 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 6.15203 6.2449 3.67112 6.21561 5.72034 8.52499 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 7.0847 6.07433 11.7659 7.06739 5.8981 12.9976 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.74416 6.6157 4.50298 5.0211 9.64454 7.37771 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.64454 7.37771 4.50298 5.0211 9.74416 6.6157 numMergedOcc 0
10 mol 123 unq 0 iso 0 dist 8.57379 5.98187 6.6925 3.65652 6.82663 7.42186 numMergedOcc 0
11 mol 123 unq 1 iso 0 dist 6.82663 7.42186 6.6925 3.65652 8.57379 5.98187 numMergedOcc 0
12 mol 123 unq 2 iso 0 dist 9.93167 9.47346 13.7302 5.33782 9.43033 13.3109 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 7.79858 5.92785 9.96392 13.5869 8.58798 17.6212 numMergedOcc 0
14 mol 272 unq 0 iso 0 dist 5.98984 9.1926 6.20439 4.18061 8.98905 11.2515 numMergedOcc 0
15 mol 272 unq 1 iso 0 dist 5.98984 9.17894 6.59992 4.18061 8.98905 10.3792 numMergedOcc 0
16 mol 272 unq 2 iso 0 dist 4.90884 9.1926 8.75151 4.18061 6.31909 11.2515 numMergedOcc 0
17 mol 272 unq 3 iso 0 dist 4.90884 9.17894 4.70157 4.18061 6.31909 10.3792 numMergedOcc 0
18 mol 286 unq 0 iso 0 dist 6.57496 7.97593 3.82706 3.96857 7.9554 10.3754 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.86603 5.62568 5.41757 12.8716 7.17626 8.82948 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 7.17626 8.82948 5.41757 12.8716 7.86603 5.62568 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.86603 5.62568 5.41757 12.8716 7.17626 8.82948 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 7.17626 8.82948 5.41757 12.8716 7.86603 5.62568 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.86603 5.62568 5.41757 12.8716 7.17626 8.82948 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 7.17626 8.82948 5.41757 12.8716 7.86603 5.62568 numMergedOcc 0
