0 mol 10 unq 0 iso 0 dist 9.03951 6.61479 5.59965 9.93084 6.18431 3.92592 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.03951 6.61479 5.59965 5.10227 9.07726 5.53712 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.88546 12.7322 6.03257 11.1852 6.23015 5.20798 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.3964 11.3328 6.72323 10.4819 6.61696 4.08755 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.3964 11.3328 6.72323 5.61248 5.80953 10.0453 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.98417 7.46244 6.56527 6.61393 6.7142 10.0347 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.8073 13.8841 8.29857 7.55257 6.03404 9.02536 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 6.42242 13.5334 8.19993 7.51675 6.07052 9.12073 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 9.89804 9.83082 9.93096 14.0787 8.70598 10.7467 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.66506 12.6525 8.87464 14.7163 8.96616 5.29727 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.66506 12.6525 8.87464 11.5216 6.14542 3.85385 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.18097 5.25569 9.66222 8.08787 5.05893 11.0952 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.18097 5.25569 9.66222 10.4844 5.71866 12.5181 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 8.83135 16.1324 9.66222 11.053 5.05893 11.0952 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 8.83135 16.1324 9.66222 7.97629 5.71866 12.5181 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 6.93893 12.671 8.66165 5.09341 8.77355 10.6223 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 7.13064 8.41572 8.74378 5.84807 9.19977 11.7638 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 7.8962 8.41572 8.89417 5.84807 7.28831 11.7638 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 7.8962 5.74733 9.95255 5.84807 7.28831 5.93472 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 6.48695 5.9261 7.59327 6.57177 9.35533 8.3321 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.4751 5.72737 7.22518 15.1472 9.34834 14.0016 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 6.4751 5.72737 7.22518 10.2839 5.74846 11.4302 numMergedOcc 0
22 mol 171 unq 2 iso 0 dist 6.4751 6.4423 5.25109 15.1472 9.34834 10.0655 numMergedOcc 0
23 mol 171 unq 3 iso 0 dist 6.4751 6.4423 5.25109 10.2839 5.74846 4.88147 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 8.09776 4.44921 6.38324 11.8568 9.00322 7.41775 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 5.4455 4.44921 6.1886 5.39223 4.19371 4.002 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 5.4455 4.44921 6.1886 7.15294 9.71015 7.09553 numMergedOcc 0
27 mol 194 unq 3 iso 0 dist 6.57575 8.8996 6.38324 14.4463 9.00322 7.41775 numMergedOcc 0
28 mol 194 unq 4 iso 0 dist 9.30761 8.70006 6.38324 9.43879 9.00322 7.41775 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 9.33514 15.6069 9.73541 7.86389 9.23863 10.7405 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 8.27761 8.33098 9.78181 13.0806 9.9183 14.876 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 8.27761 17.7633 9.8664 13.0806 9.9183 11.2243 numMergedOcc 0
32 mol 232 unq 2 iso 0 dist 9.25162 15.3266 9.8664 12.9179 6.59036 4.68548 numMergedOcc 0
33 mol 244 unq 0 iso 0 dist 9.97458 12.5433 7.95359 8.65358 6.53416 3.92686 numMergedOcc 0
34 mol 244 unq 1 iso 0 dist 9.97458 14.3743 6.22122 8.65358 6.53416 10.3324 numMergedOcc 0
