0 mol 9 unq 0 iso 0 dist 9.62309 11.2334 4.87788 10.5644 3.86978 8.71894 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.62309 11.2334 4.87788 17.7538 9.72559 8.0148 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.88078 10.2819 5.88082 7.53599 4.11329 5.35469 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 7.53599 10.2819 5.35469 9.88078 4.11329 5.88082 numMergedOcc 0
4 mol 66 unq 0 iso 0 dist 7.90722 6.43668 5.45305 11.4902 3.81162 8.46077 numMergedOcc 0
5 mol 66 unq 1 iso 0 dist 7.90722 6.43668 5.45305 6.04077 3.8369 6.85708 numMergedOcc 0
6 mol 66 unq 2 iso 0 dist 6.04077 6.43668 6.85708 11.4902 6.27399 8.46077 numMergedOcc 0
7 mol 66 unq 3 iso 0 dist 6.04077 6.43668 6.85708 7.90722 3.8369 5.45305 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 8.43143 9.52589 8.68643 10.8117 6.09651 7.91401 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 9.06878 15.9937 9.13904 10.0616 4.05115 7.10245 numMergedOcc 0
10 mol 108 unq 0 iso 0 dist 8.92611 10.1374 6.55728 11.1772 4.00578 5.25296 numMergedOcc 0
11 mol 108 unq 1 iso 0 dist 6.85803 5.08304 5.25296 5.64136 4.00578 6.55728 numMergedOcc 0
12 mol 108 unq 2 iso 0 dist 5.64136 5.08304 6.55728 6.85803 4.00578 5.25296 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 8.02143 7.8723 6.82156 10.0712 3.85612 5.71964 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 8.05081 8.62728 9.94001 5.38508 4.10109 9.46148 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 8.05081 8.62728 9.94001 6.51529 6.846 7.31278 numMergedOcc 0
16 mol 197 unq 2 iso 0 dist 5.38508 8.62728 9.46148 8.05081 4.10109 9.94001 numMergedOcc 0
17 mol 197 unq 3 iso 0 dist 5.38508 8.62728 9.46148 6.51529 4.10385 7.31278 numMergedOcc 0
18 mol 197 unq 4 iso 0 dist 6.51529 8.62728 7.31278 8.05081 6.846 9.94001 numMergedOcc 0
19 mol 197 unq 5 iso 0 dist 6.51529 8.62728 7.31278 5.38508 4.10385 9.46148 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 6.38041 6.85131 6.35781 10.5425 4.31231 8.06117 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 9.00616 5.79529 5.85932 6.35699 4.01112 5.69181 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 6.35699 5.79529 5.69181 9.00616 4.01112 5.85932 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 9.7132 7.17164 4.90884 10.0083 14.102 9.97008 numMergedOcc 0
24 mol 272 unq 1 iso 0 dist 9.7132 7.17164 4.90884 11.4515 4.00099 5.98984 numMergedOcc 0
25 mol 272 unq 2 iso 0 dist 9.7132 8.36466 6.31909 11.4515 4.00099 8.98905 numMergedOcc 0
