0 mol 30 unq 0 iso 0 dist 6.30807 9.46542 6.57228 12.4266 9.84967 14.7637 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.48969 8.76177 6.1558 14.9002 9.76585 14.0443 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 8.68497 7.31138 6.32585 15.2712 9.80754 16.0046 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 8.68497 7.31138 6.32585 13.2452 8.9672 11.2345 numMergedOcc 0
4 mol 99 unq 0 iso 0 dist 7.28774 8.6659 5.36117 6.04335 5.61946 4.82346 numMergedOcc 0
5 mol 99 unq 1 iso 0 dist 7.28774 8.4731 7.21001 6.04335 5.61946 8.07233 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 8.87505 7.50959 5.76927 4.66619 5.74058 6.21554 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 5.59311 7.55581 6.70307 6.14253 9.56319 5.92836 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 5.59311 7.55581 6.70307 4.88407 6.65267 4.73804 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 5.7232 7.55581 12.974 6.14253 9.73038 5.92836 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 7.76856 5.15834 11.8927 6.2739 6.60418 8.44321 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.94464 8.99149 15.6006 8.18671 6.60648 14.982 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 7.9801 9.82279 11.495 8.45224 5.71182 15.7062 numMergedOcc 0
13 mol 226 unq 1 iso 0 dist 6.17825 9.82279 10.0578 8.7629 9.03261 17.0571 numMergedOcc 0
14 mol 226 unq 2 iso 0 dist 6.17825 9.82279 10.0578 8.45224 7.67573 15.7062 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 8.09021 8.9413 10.5191 15.4423 9.94957 15.8313 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.90634 8.72085 10.5636 8.049 6.19545 14.8378 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 7.90634 8.72085 10.5636 5.05806 7.3388 9.84741 numMergedOcc 0
18 mol 287 unq 2 iso 0 dist 7.90634 8.72085 10.5636 11.1974 6.96248 13.972 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.90634 8.72085 10.5636 8.049 6.19545 14.8378 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 7.90634 8.72085 10.5636 5.05806 7.3388 9.84741 numMergedOcc 0
21 mol 288 unq 2 iso 0 dist 7.90634 8.72085 10.5636 11.1974 6.96248 13.972 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 7.90634 8.72085 10.5636 8.049 6.19545 14.8378 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 7.90634 8.72085 10.5636 5.05806 7.3388 9.84741 numMergedOcc 0
24 mol 289 unq 2 iso 0 dist 7.90634 8.72085 10.5636 11.1974 6.96248 13.972 numMergedOcc 0
