0 mol 7 unq 0 iso 0 dist 8.24774 5.30199 6.36911 7.89457 9.97624 5.03847 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.24774 12.8047 9.36807 7.89457 9.97624 13.8829 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.23379 7.29389 8.52106 6.09451 8.80193 10.6757 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 9.23379 8.02879 6.32451 6.09451 8.80193 7.62011 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 6.32286 9.13877 9.77484 7.71155 8.71752 6.65855 numMergedOcc 0
5 mol 27 unq 1 iso 0 dist 6.32286 9.13877 9.77484 10.3774 7.60283 14.3929 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 8.9794 11.1992 6.99408 4.98421 7.21995 8.26635 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 8.9794 11.1992 6.99408 5.14955 9.62637 13.4503 numMergedOcc 0
8 mol 45 unq 2 iso 0 dist 8.9794 9.22095 9.3403 4.98421 7.21995 5.05051 numMergedOcc 0
9 mol 45 unq 3 iso 0 dist 8.9794 9.22095 9.3403 5.14955 9.62637 10.6148 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.19452 11.7837 6.73814 4.9181 9.83981 13.7032 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 5.94658 6.14531 7.39889 7.50446 7.26955 5.92984 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 5.94658 10.2606 9.63176 7.50446 7.26955 15.5019 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 5.94658 5.56254 7.44174 7.50446 7.26955 10.314 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 5.85438 9.22146 8.94837 6.06645 6.93279 14.2198 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 5.85438 6.20897 7.77454 6.06645 6.93279 11.147 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.48966 10.3216 5.50387 13.7255 9.47117 8.32583 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 5.33951 9.50735 9.58736 7.26744 7.31773 15.6327 numMergedOcc 0
18 mol 235 unq 1 iso 0 dist 5.33951 7.96266 9.43058 7.26744 7.31773 10.632 numMergedOcc 0
19 mol 235 unq 2 iso 0 dist 5.33951 7.31825 8.75735 7.26744 7.31773 6.01041 numMergedOcc 0
20 mol 235 unq 3 iso 0 dist 5.33951 10.75 6.98084 7.26744 7.31773 6.82855 numMergedOcc 0
21 mol 235 unq 4 iso 0 dist 5.33951 7.45266 7.32211 7.26744 7.31773 6.46722 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 9.02428 5.9993 7.19465 4.91528 9.58354 5.78064 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 8.93244 5.65451 7.50578 12.6942 8.92185 14.3125 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 9.12503 5.38559 8.12892 12.1347 7.7574 9.49258 numMergedOcc 0
25 mol 267 unq 0 iso 0 dist 8.21258 11.5235 8.76007 10.4782 9.01354 9.33806 numMergedOcc 0
26 mol 267 unq 1 iso 0 dist 6.99549 7.48298 8.76007 11.5553 9.01354 9.33806 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 7.96267 12.1474 7.34205 15.8939 8.87606 10.808 numMergedOcc 0
28 mol 294 unq 1 iso 0 dist 6.71688 6.44859 7.34205 8.61191 8.87606 10.808 numMergedOcc 0
