0 mol 1 unq 0 iso 0 dist 7.68779 6.41817 11.8728 11.6758 17.3552 7.46399 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 8.28463 7.24775 14.3929 14.1996 21.4858 7.18409 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 8.28463 7.24775 14.3929 10.2292 17.7682 6.21163 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.31319 6.19084 10.5906 9.89704 17.5682 9.81193 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 8.2513 6.19084 12.8683 9.89704 15.6381 9.81193 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 10.6593 5.59773 5.7405 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 11.2351 11.5472 9.95103 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.91446 6.6157 7.16919 8.46662 6.78459 9.95103 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 9.26343 6.6157 9.75737 8.46662 11.5472 9.95103 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.63658 6.73172 5.76986 12.9793 14.8158 9.69961 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 7.65229 6.73172 5.39346 12.9793 6.85381 9.69961 numMergedOcc 0
11 mol 189 unq 0 iso 0 dist 9.58744 7.45329 10.1941 6.58275 12.8877 9.71563 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.05666 7.35424 14.8459 8.0557 16.2734 9.99783 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 6.60651 6.67699 8.50224 10.6599 10.1868 9.47404 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.3035 8.07237 7.8472 9.59563 13.2093 7.43301 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.93154 5.87056 6.00424 9.22288 10.2913 8.61546 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 9.93154 8.85568 10.3825 9.22288 10.2913 7.17024 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 9.18218 5.87056 9.76735 9.22288 13.1699 8.61546 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 9.18218 8.85568 8.86483 9.22288 13.1699 7.17024 numMergedOcc 0
19 mol 227 unq 4 iso 0 dist 6.18486 5.87056 9.32448 9.22288 11.3667 8.61546 numMergedOcc 0
20 mol 227 unq 5 iso 0 dist 6.18486 8.85568 6.67321 9.22288 11.3667 7.17024 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.29203 8.03226 10.3871 10.6594 18.1862 9.43474 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 7.62771 8.03226 6.54814 10.6594 14.115 9.43474 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 7.80166 8.03226 14.388 10.6594 17.1848 9.43474 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 14.3975 10.7862 9.6479 numMergedOcc 0
25 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 12.7693 10.7862 9.6479 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.22576 9.52718 4.9628 15.6724 13.5151 8.9316 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 9.22576 9.52718 4.9628 15.6724 13.5151 8.9316 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 9.22576 9.52718 4.9628 15.6724 13.5151 8.9316 numMergedOcc 0
