0 mol 13 unq 0 iso 0 dist 5.83624 5.87938 8.27119 9.92193 6.791 7.42612 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 6.12374 4.46801 7.00717 9.70612 10.622 7.68478 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 6.12374 4.46801 7.00717 6.46781 6.10572 6.87122 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 6.64721 8.35566 5.47447 13.076 7.18662 6.40219 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 9.36169 12.3869 5.47447 16.1016 7.18662 6.40219 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.22872 5.86721 4.27766 11.9589 6.41115 7.37171 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.22872 5.86721 4.27766 11.0106 5.9144 8.62079 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.24296 3.81285 4.29937 11.0683 6.92455 7.69926 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.24296 6.17121 5.37869 11.0683 6.92455 5.85237 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 6.24296 6.17121 5.37869 12.9446 8.32224 9.11768 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 6.83218 3.81285 3.65628 11.0683 7.01366 7.69926 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 6.83218 6.17121 4.05415 11.0683 7.01366 5.85237 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 6.83218 6.17121 4.05415 12.9446 6.15019 9.11768 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 9.83419 11.9219 9.50709 11.4018 4.60151 6.38004 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 5.93365 4.26914 7.54274 7.55822 3.87365 8.51123 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 6.99944 9.53399 7.54274 10.5035 3.87365 8.51123 numMergedOcc 0
16 mol 123 unq 0 iso 0 dist 6.49766 3.61945 4.14492 9.99727 4.1335 8.111 numMergedOcc 0
17 mol 147 unq 0 iso 0 dist 8.10157 3.75216 5.12272 7.4653 10.5361 8.39897 numMergedOcc 0
18 mol 147 unq 1 iso 0 dist 8.10157 3.75216 5.12272 7.95564 8.88819 9.03078 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.00402 8.73397 9.4366 14.0754 11.6282 9.65093 numMergedOcc 0
20 mol 251 unq 0 iso 0 dist 5.85851 3.46172 7.72528 10.1339 11.5298 8.45764 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 9.18386 9.45033 9.56933 11.0311 6.73772 9.93746 numMergedOcc 0
