0 mol 8 unq 0 iso 0 dist 9.68072 8.76702 9.62683 9.69819 14.787 6.22971 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.68072 6.27477 7.08043 9.69819 14.787 10.3253 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 8.27424 7.16036 8.93739 9.52676 11.8691 4.55437 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 6.4519 7.16036 6.65149 9.52676 8.59733 4.55437 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 8.99557 9.31319 15.919 6.19084 5.65462 10.5906 numMergedOcc 0
5 mol 46 unq 1 iso 0 dist 8.99557 8.2513 17.0196 6.19084 5.65462 12.8683 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 6.47588 8.61163 7.21475 5.80996 8.29454 5.10859 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.48295 7.47827 10.2967 7.74952 10.4949 4.57085 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 8.60361 5.94478 5.47085 9.61913 13.698 9.91049 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.74464 9.64856 12.906 8.74658 11.127 6.26504 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 8.74464 6.38977 5.6098 8.74658 11.127 7.7567 numMergedOcc 0
11 mol 131 unq 2 iso 0 dist 8.74464 9.69757 4.29914 8.74658 11.127 8.23791 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 8.6499 9.7168 12.8573 9.92375 12.7677 11.2659 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 8.6499 7.38138 8.61198 9.92375 12.7677 4.99768 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.40514 8.03567 5.97308 9.01369 4.11297 5.4141 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 6.99474 7.92766 10.6493 6.21588 11.5701 5.86489 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 6.99474 6.32652 4.30341 6.21588 11.5701 11.2903 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 6.99667 8.3035 4.55245 8.07237 10.4528 7.8472 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 7.49227 9.93154 8.65229 5.87056 4.21811 6.00424 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 7.49227 9.93154 8.65229 9.84311 15.1769 10.7656 numMergedOcc 0
20 mol 227 unq 2 iso 0 dist 7.49227 9.93154 8.65229 8.85568 11.032 10.3825 numMergedOcc 0
21 mol 227 unq 3 iso 0 dist 7.49227 9.18218 13.0161 5.87056 4.21811 9.76735 numMergedOcc 0
22 mol 227 unq 4 iso 0 dist 7.49227 9.18218 13.0161 9.84311 15.1769 5.10635 numMergedOcc 0
23 mol 227 unq 5 iso 0 dist 7.49227 9.18218 13.0161 8.85568 11.032 8.86483 numMergedOcc 0
24 mol 227 unq 6 iso 0 dist 7.49227 6.18486 11.8065 5.87056 4.21811 9.32448 numMergedOcc 0
25 mol 227 unq 7 iso 0 dist 7.49227 6.18486 11.8065 9.84311 15.1769 6.48027 numMergedOcc 0
26 mol 227 unq 8 iso 0 dist 7.49227 6.18486 11.8065 8.85568 11.032 6.67321 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 9.63988 7.11272 14.3233 8.74282 15.1161 6.51623 numMergedOcc 0
28 mol 276 unq 1 iso 0 dist 9.63988 6.24808 10.8564 8.74282 15.1161 5.41235 numMergedOcc 0
