0 mol 5 unq 0 iso 0 dist 8.34146 4.47188 7.44029 12.4661 10.7254 8.25372 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.20409 4.53848 7.61923 10.5966 4.47522 9.25037 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 5.93729 4.53848 5.11941 10.5966 6.0879 9.25037 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 9.7328 4.53848 7.7864 10.5966 9.22338 9.25037 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 7.19406 6.51519 7.57749 11.8835 10.7612 7.39124 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 7.55854 4.27513 5.41774 11.1474 3.70978 8.31272 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 5.48669 4.78298 5.41774 8.10093 3.70978 8.31272 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 5.78051 5.26955 5.41774 6.46565 3.70978 8.31272 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.0101 4.05111 6.63973 9.63228 5.94401 5.65006 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 6.28645 8.50179 6.12348 13.9989 8.97892 6.53198 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.4822 6.98797 5.56446 6.75212 9.27523 6.31404 numMergedOcc 0
11 mol 144 unq 0 iso 0 dist 9.87298 4.9743 7.46026 12.6414 4.28185 8.85737 numMergedOcc 0
12 mol 144 unq 1 iso 0 dist 6.21815 6.01619 7.46026 6.7211 4.28185 8.85737 numMergedOcc 0
13 mol 146 unq 0 iso 0 dist 9.5348 8.19476 6.93154 8.36855 3.96561 8.82192 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 6.57161 8.66931 6.27683 14.1136 8.878 6.4644 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 5.39622 8.84505 9.18289 13.3706 13.7072 7.49839 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 9.02212 4.53842 8.8637 6.01466 5.42437 7.1329 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 7.11262 4.57447 7.25438 5.73488 5.21233 4.58113 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 9.14778 7.46055 9.99149 11.2213 10.8267 9.48525 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 7.09902 8.26863 7.1229 14.9139 11.237 7.86214 numMergedOcc 0
20 mol 233 unq 1 iso 0 dist 7.09902 8.26863 7.1229 10.8857 5.5881 5.29501 numMergedOcc 0
21 mol 233 unq 2 iso 0 dist 7.09902 8.26863 7.1229 15.9428 11.4518 8.81206 numMergedOcc 0
22 mol 233 unq 3 iso 0 dist 8.73545 7.83075 7.1229 12.5554 11.237 7.86214 numMergedOcc 0
23 mol 233 unq 4 iso 0 dist 8.73545 7.83075 7.1229 7.72115 5.5881 5.29501 numMergedOcc 0
24 mol 233 unq 5 iso 0 dist 8.73545 7.83075 7.1229 6.43615 11.4518 8.81206 numMergedOcc 0
25 mol 233 unq 6 iso 0 dist 8.14581 7.83075 9.55705 12.5554 7.79118 7.86214 numMergedOcc 0
26 mol 233 unq 7 iso 0 dist 8.14581 7.83075 9.55705 7.72115 5.60683 5.29501 numMergedOcc 0
27 mol 233 unq 8 iso 0 dist 8.14581 7.83075 9.55705 6.43615 3.75722 8.81206 numMergedOcc 0
