0 mol 15 unq 0 iso 0 dist 6.88546 5.63041 5.89412 12.7322 6.03257 9.75966 11.1852 6.23015 6.91314 5.20798 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.88546 13.452 7.07399 12.7322 6.03257 4.39605 11.1852 6.23015 5.49251 5.20798 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.3964 14.959 8.4051 11.3328 6.72323 12.176 10.4819 6.61696 10.1698 4.08755 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.3964 14.959 8.4051 11.3328 6.72323 12.176 5.61248 5.80953 13.6174 10.0453 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.3964 7.79468 7.29868 11.3328 6.72323 6.66749 10.4819 6.61696 8.91183 4.08755 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.3964 7.79468 7.29868 11.3328 6.72323 6.66749 5.61248 5.80953 5.69214 10.0453 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.3964 9.85198 8.60554 11.3328 6.72323 14.012 10.4819 6.61696 14.8647 4.08755 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.3964 9.85198 8.60554 11.3328 6.72323 14.012 5.61248 5.80953 5.11636 10.0453 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.66506 12.8388 9.24757 12.6525 8.87464 6.29906 14.7163 8.96616 6.20232 5.29727 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.66506 12.8388 9.24757 12.6525 8.87464 6.29906 11.5216 6.14542 5.70116 3.85385 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.18097 10.5346 9.82915 5.25569 9.66222 10.4987 8.08787 5.05893 11.9064 11.0952 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.18097 10.5346 9.82915 5.25569 9.66222 10.4987 10.4844 5.71866 14.7521 12.5181 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.83135 18.2314 9.82915 16.1324 9.66222 10.4987 11.053 5.05893 11.9064 11.0952 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.83135 18.2314 9.82915 16.1324 9.66222 10.4987 7.97629 5.71866 14.7521 12.5181 numMergedOcc 0
14 mol 91 unq 0 iso 0 dist 6.93893 14.4094 9.30539 12.671 8.66165 4.57085 5.09341 8.77355 12.6799 10.6223 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 6.48695 5.99695 4.97175 5.9261 7.59327 4.55551 6.57177 9.35533 6.16616 8.3321 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.4751 8.67611 6.64834 5.72737 7.22518 6.45673 15.1472 9.34834 8.99935 14.0016 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 6.4751 8.67611 6.64834 5.72737 7.22518 6.45673 10.2839 5.74846 7.15048 11.4302 numMergedOcc 0
18 mol 171 unq 2 iso 0 dist 6.4751 8.67611 6.64834 6.4423 5.25109 4.78075 15.1472 9.34834 8.99935 10.0655 numMergedOcc 0
19 mol 171 unq 3 iso 0 dist 6.4751 8.67611 6.64834 6.4423 5.25109 4.78075 10.2839 5.74846 7.15048 4.88147 numMergedOcc 0
20 mol 171 unq 4 iso 0 dist 6.4751 9.28655 5.93786 5.72737 7.22518 5.48551 15.1472 9.34834 9.35703 14.0016 numMergedOcc 0
21 mol 171 unq 5 iso 0 dist 6.4751 9.28655 5.93786 5.72737 7.22518 5.48551 10.2839 5.74846 9.14311 11.4302 numMergedOcc 0
22 mol 171 unq 6 iso 0 dist 6.4751 9.28655 5.93786 6.4423 5.25109 7.9651 15.1472 9.34834 9.35703 10.0655 numMergedOcc 0
23 mol 171 unq 7 iso 0 dist 6.4751 9.28655 5.93786 6.4423 5.25109 7.9651 10.2839 5.74846 9.14311 4.88147 numMergedOcc 0
24 mol 171 unq 8 iso 0 dist 6.4751 10.4021 8.24693 5.72737 7.22518 8.05069 15.1472 9.34834 14.4375 14.0016 numMergedOcc 0
25 mol 171 unq 9 iso 0 dist 6.4751 10.4021 8.24693 5.72737 7.22518 8.05069 10.2839 5.74846 13.6262 11.4302 numMergedOcc 0
26 mol 171 unq 10 iso 0 dist 6.4751 10.4021 8.24693 6.4423 5.25109 12.6853 15.1472 9.34834 14.4375 10.0655 numMergedOcc 0
27 mol 171 unq 11 iso 0 dist 6.4751 10.4021 8.24693 6.4423 5.25109 12.6853 10.2839 5.74846 13.6262 4.88147 numMergedOcc 0
28 mol 171 unq 12 iso 0 dist 6.4751 11.8046 7.36698 5.72737 7.22518 11.2785 15.1472 9.34834 4.66982 14.0016 numMergedOcc 0
29 mol 171 unq 13 iso 0 dist 6.4751 11.8046 7.36698 5.72737 7.22518 11.2785 10.2839 5.74846 3.65288 11.4302 numMergedOcc 0
30 mol 171 unq 14 iso 0 dist 6.4751 11.8046 7.36698 6.4423 5.25109 5.90026 15.1472 9.34834 4.66982 10.0655 numMergedOcc 0
31 mol 171 unq 15 iso 0 dist 6.4751 11.8046 7.36698 6.4423 5.25109 5.90026 10.2839 5.74846 3.65288 4.88147 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 8.09776 10.977 6.72379 4.44921 6.38324 7.11753 11.8568 9.00322 4.66791 7.41775 numMergedOcc 0
33 mol 194 unq 1 iso 0 dist 5.4455 13.445 8.65535 4.44921 6.1886 11.6598 5.39223 4.19371 10.0756 4.002 numMergedOcc 0
34 mol 194 unq 2 iso 0 dist 5.4455 13.445 8.65535 4.44921 6.1886 11.6598 7.15294 9.71015 16.4082 7.09553 numMergedOcc 0
35 mol 194 unq 3 iso 0 dist 6.57575 11.4562 6.72379 8.8996 6.38324 7.11753 14.4463 9.00322 4.66791 7.41775 numMergedOcc 0
36 mol 194 unq 4 iso 0 dist 9.30761 5.55582 6.72379 8.70006 6.38324 7.11753 9.43879 9.00322 4.66791 7.41775 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 8.27761 10.1991 8.50102 8.33098 9.78181 6.2188 13.0806 9.9183 9.74344 14.876 numMergedOcc 0
38 mol 232 unq 1 iso 0 dist 8.27761 10.1991 8.50102 17.7633 9.8664 12.3508 13.0806 9.9183 9.74344 11.2243 numMergedOcc 0
39 mol 232 unq 2 iso 0 dist 8.27761 13.7819 9.40808 8.33098 9.78181 12.5452 13.0806 9.9183 5.10213 14.876 numMergedOcc 0
40 mol 232 unq 3 iso 0 dist 8.27761 13.7819 9.40808 17.7633 9.8664 8.80479 13.0806 9.9183 5.10213 11.2243 numMergedOcc 0
41 mol 232 unq 4 iso 0 dist 9.25162 16.9877 9.05071 15.3266 9.8664 4.9377 12.9179 6.59036 5.42461 4.68548 numMergedOcc 0
42 mol 244 unq 0 iso 0 dist 9.97458 10.5547 5.50492 12.5433 7.95359 7.6169 8.65358 6.53416 6.1597 3.92686 numMergedOcc 0
43 mol 244 unq 1 iso 0 dist 9.97458 10.5547 5.50492 14.3743 6.22122 5.17744 8.65358 6.53416 6.1597 10.3324 numMergedOcc 0
