0 mol 5 unq 0 iso 0 dist 6.40459 7.0627 6.94674 4.69173 6.70655 4.9568 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.58084 8.80355 5.34991 11.6381 6.70655 11.7356 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 7.66522 9.83585 15.5198 5.73747 6.3896 14.2819 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.85245 5.03531 3.6629 12.1626 6.67455 10.3176 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.85245 5.03531 3.6629 14.2372 9.2772 12.6411 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 6.86092 9.72637 6.20762 10.3698 9.09831 14.3799 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 7.6104 6.72584 4.48523 10.5201 6.77845 9.94528 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 7.6104 6.72584 4.48523 7.36012 5.48555 8.94777 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 7.6104 6.72584 4.48523 12.5239 5.39805 9.28583 numMergedOcc 0
9 mol 83 unq 3 iso 0 dist 7.6104 7.25594 9.79852 10.5201 6.77845 13.5083 numMergedOcc 0
10 mol 83 unq 4 iso 0 dist 7.6104 7.25594 9.79852 7.36012 5.48555 12.8722 numMergedOcc 0
11 mol 83 unq 5 iso 0 dist 7.6104 7.25594 9.79852 12.5239 5.39805 14.4893 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.29879 7.84085 4.63862 9.45934 6.9268 4.82356 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 6.29879 7.84085 4.63862 5.10912 8.19166 8.83476 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.26373 7.33483 6.87479 6.01114 6.28957 11.31 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 6.26373 7.33483 6.87479 9.04662 7.34285 13.706 numMergedOcc 0
16 mol 167 unq 2 iso 0 dist 5.32056 9.5648 11.1876 9.2968 9.63473 16.0097 numMergedOcc 0
17 mol 167 unq 3 iso 0 dist 5.32056 9.5648 11.1876 5.79787 8.39087 8.95296 numMergedOcc 0
18 mol 167 unq 4 iso 0 dist 9.74227 7.33483 7.72283 6.87303 9.63473 12.1152 numMergedOcc 0
19 mol 167 unq 5 iso 0 dist 9.74227 7.33483 7.72283 11.0118 8.39087 13.8354 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 9.01437 6.24232 3.60864 10.8619 5.60956 6.48066 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 9.01437 6.13116 7.08284 10.8619 5.60956 11.6064 numMergedOcc 0
22 mol 168 unq 2 iso 0 dist 9.6856 8.1953 3.60864 12.8199 5.60956 6.48066 numMergedOcc 0
23 mol 168 unq 3 iso 0 dist 9.6856 8.16253 7.08284 12.8199 5.60956 11.6064 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 7.73442 9.35481 10.3105 7.11382 9.34265 7.65214 numMergedOcc 0
25 mol 184 unq 1 iso 0 dist 7.73442 9.11936 15.3838 7.11382 9.34265 13.1399 numMergedOcc 0
26 mol 184 unq 2 iso 0 dist 7.73442 8.20517 13.085 7.11382 9.34265 15.1361 numMergedOcc 0
27 mol 187 unq 0 iso 0 dist 9.90752 8.17194 5.57973 8.44179 7.87608 11.1483 numMergedOcc 0
28 mol 233 unq 0 iso 0 dist 6.58227 9.63067 6.98596 4.69692 9.72186 10.1933 numMergedOcc 0
29 mol 233 unq 1 iso 0 dist 6.58227 9.63067 6.98596 5.49245 8.39315 13.7284 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 8.66923 9.59909 15.9903 6.89134 5.83514 15.1188 numMergedOcc 0
31 mol 247 unq 0 iso 0 dist 8.0367 5.27761 7.1185 15.733 9.21409 11.7767 numMergedOcc 0
32 mol 247 unq 1 iso 0 dist 8.0367 5.27761 7.1185 17.1904 9.17812 15.5898 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 7.7368 6.23874 9.21351 7.85119 9.38187 12.922 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 7.7368 6.68956 4.96187 7.85119 9.38187 11.4524 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 7.7368 6.23874 9.21351 7.85119 9.38187 12.922 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 7.7368 6.68956 4.96187 7.85119 9.38187 11.4524 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 7.7368 6.23874 9.21351 7.85119 9.38187 12.922 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 7.7368 6.68956 4.96187 7.85119 9.38187 11.4524 numMergedOcc 0
