0 mol 59 unq 0 iso 0 dist 6.17977 7.67586 5.34079 11.7065 12.5028 7.71095 18.2379 16.6723 12.5396 8.84665 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 6.17977 7.67586 5.34079 11.7065 12.5028 7.71095 13.1891 11.0021 8.19458 8.25513 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.54807 6.05043 5.33325 6.40193 9.65047 7.27724 10.3984 5.69671 8.41707 8.03644 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 8.74464 6.38977 5.6098 6.82985 6.31125 8.40312 9.69757 4.29914 5.55373 7.12972 numMergedOcc 0
4 mol 131 unq 1 iso 0 dist 8.74464 6.38977 5.6098 6.82985 6.31125 8.40312 12.5659 5.59449 10.7062 6.85062 numMergedOcc 0
5 mol 131 unq 2 iso 0 dist 8.74464 9.69757 4.29914 6.82985 6.31125 7.12972 6.38977 5.6098 5.55373 8.40312 numMergedOcc 0
6 mol 131 unq 3 iso 0 dist 8.74464 9.69757 4.29914 6.82985 6.31125 7.12972 12.5659 5.59449 6.63273 6.85062 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 8.67838 6.07676 4.11061 6.05039 11.5719 8.03334 13.5702 15.0411 13.2049 9.1374 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.40514 8.03567 5.97308 12.2966 14.549 8.87694 16.5692 13.6887 9.50685 9.09754 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 6.79839 8.93637 8.0303 14.8074 10.6535 9.23153 15.9523 15.2611 10.5449 8.24498 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 7.49227 9.93154 8.65229 6.78651 11.3366 9.34734 10.7118 9.9474 6.99063 7.22101 numMergedOcc 0
11 mol 227 unq 1 iso 0 dist 7.49227 9.93154 8.65229 6.78651 11.3366 9.34734 13.6059 14.0536 7.60506 8.65997 numMergedOcc 0
12 mol 227 unq 2 iso 0 dist 7.49227 9.93154 8.65229 6.78651 11.3366 9.34734 9.18218 13.0161 7.43198 7.56888 numMergedOcc 0
13 mol 227 unq 3 iso 0 dist 7.49227 9.93154 8.65229 6.78651 11.3366 9.34734 6.18486 11.8065 9.51866 7.55216 numMergedOcc 0
14 mol 227 unq 4 iso 0 dist 7.49227 9.18218 13.0161 6.78651 11.3366 7.56888 9.93154 8.65229 7.43198 9.34734 numMergedOcc 0
15 mol 227 unq 5 iso 0 dist 7.49227 9.18218 13.0161 6.78651 11.3366 7.56888 10.7118 9.9474 10.8658 7.22101 numMergedOcc 0
16 mol 227 unq 6 iso 0 dist 7.49227 9.18218 13.0161 6.78651 11.3366 7.56888 13.6059 14.0536 9.70012 8.65997 numMergedOcc 0
17 mol 227 unq 7 iso 0 dist 7.49227 9.18218 13.0161 6.78651 11.3366 7.56888 6.18486 11.8065 4.48529 7.55216 numMergedOcc 0
18 mol 227 unq 8 iso 0 dist 7.49227 6.18486 11.8065 6.78651 11.3366 7.55216 9.93154 8.65229 9.51866 9.34734 numMergedOcc 0
19 mol 227 unq 9 iso 0 dist 7.49227 6.18486 11.8065 6.78651 11.3366 7.55216 10.7118 9.9474 12.4689 7.22101 numMergedOcc 0
20 mol 227 unq 10 iso 0 dist 7.49227 6.18486 11.8065 6.78651 11.3366 7.55216 13.6059 14.0536 12.9332 8.65997 numMergedOcc 0
21 mol 227 unq 11 iso 0 dist 7.49227 6.18486 11.8065 6.78651 11.3366 7.55216 9.18218 13.0161 4.48529 7.56888 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 6.37648 6.49599 7.49016 14.1932 15.2047 8.13497 16.2468 15.3402 10.582 8.53687 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 6.37648 6.49599 7.49016 13.8605 13.4991 7.88519 9.34738 6.30197 4.86771 7.84554 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 6.37648 6.49599 7.49016 13.8605 13.4991 7.88519 9.47382 9.84081 6.96053 7.46176 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 6.37648 6.49599 7.49016 13.8605 13.4991 7.88519 14.8529 10.4178 10.4881 9.18903 numMergedOcc 0
26 mol 259 unq 4 iso 0 dist 6.37648 9.34738 6.30197 13.8605 13.4991 7.84554 6.49599 7.49016 4.86771 7.88519 numMergedOcc 0
27 mol 259 unq 5 iso 0 dist 6.37648 9.34738 6.30197 13.8605 13.4991 7.84554 9.47382 9.84081 7.64658 7.46176 numMergedOcc 0
28 mol 259 unq 6 iso 0 dist 6.37648 9.34738 6.30197 13.8605 13.4991 7.84554 14.8529 10.4178 5.87173 9.18903 numMergedOcc 0
29 mol 259 unq 7 iso 0 dist 6.37648 9.47382 9.84081 13.8605 13.4991 7.46176 6.49599 7.49016 6.96053 7.88519 numMergedOcc 0
30 mol 259 unq 8 iso 0 dist 6.37648 9.47382 9.84081 13.8605 13.4991 7.46176 9.34738 6.30197 7.64658 7.84554 numMergedOcc 0
31 mol 259 unq 9 iso 0 dist 6.37648 9.47382 9.84081 13.8605 13.4991 7.46176 14.8529 10.4178 10.5239 9.18903 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 5.19015 7.22438 8.31324 10.3544 14.5021 8.33638 7.66615 9.38679 5.40809 8.46116 numMergedOcc 0
33 mol 272 unq 1 iso 0 dist 5.19015 7.66615 9.38679 10.3544 14.5021 8.46116 7.22438 8.31324 5.40809 8.33638 numMergedOcc 0
34 mol 276 unq 0 iso 0 dist 9.63988 7.11272 14.3233 5.75852 14.3293 6.87396 12.2355 17.3337 6.88557 9.8993 numMergedOcc 0
