0 mol 58 unq 0 iso 0 dist 8.52969 12.9126 8.26899 6.10173 7.21955 10.8421 9.69738 8.44881 8.88313 12.2293 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.52969 12.9126 8.26899 6.10173 7.21955 10.8421 10.5417 4.25144 5.48837 9.97953 numMergedOcc 0
2 mol 117 unq 0 iso 0 dist 8.76613 6.29379 7.20326 5.45718 7.70232 9.79891 15.9867 13.36 9.86985 19.0913 numMergedOcc 0
3 mol 117 unq 1 iso 0 dist 8.76613 6.29379 7.20326 6.25846 7.4671 9.97229 15.9867 13.36 9.86985 18.3416 numMergedOcc 0
4 mol 176 unq 0 iso 0 dist 4.96326 12.8521 8.61331 5.19351 7.33273 13.7844 9.09053 6.40668 9.67312 13.2742 numMergedOcc 0
5 mol 176 unq 1 iso 0 dist 9.09976 10.9728 8.61331 7.10221 7.33273 13.7844 15.155 6.40668 9.67312 13.2742 numMergedOcc 0
6 mol 176 unq 2 iso 0 dist 9.73567 7.46138 8.61331 10.2245 7.33273 13.7844 14.0412 6.40668 9.67312 13.2742 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 9.25528 15.6271 6.71012 15.4597 8.90963 6.03415 18.3848 11.618 7.61421 9.20617 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 7.92766 13.2566 5.90931 15.254 9.68728 11.145 7.8518 6.49075 9.58537 15.6821 numMergedOcc 0
9 mol 213 unq 0 iso 0 dist 6.82185 10.693 6.0965 10.6201 7.37798 6.17282 10.3304 4.67313 6.8984 10.7796 numMergedOcc 0
10 mol 213 unq 1 iso 0 dist 6.82185 10.693 6.0965 5.50169 7.73322 10.5013 10.3304 4.67313 6.8984 8.59946 numMergedOcc 0
11 mol 213 unq 2 iso 0 dist 6.82185 12.9129 9.59129 10.6201 7.37798 12.1116 10.3304 4.67313 7.77553 10.7796 numMergedOcc 0
12 mol 213 unq 3 iso 0 dist 6.82185 12.9129 9.59129 5.50169 7.73322 9.93085 10.3304 4.67313 7.77553 8.59946 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 5.52981 6.48676 7.17547 5.3192 6.1951 7.21048 14.4711 14.5747 8.5244 15.6098 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 7.2527 14.0776 9.90142 10.0472 7.57812 10.3147 13.7686 8.71924 8.54425 14.4206 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 7.2527 14.0776 9.90142 10.0651 8.69104 15.6823 13.7686 8.71924 8.54425 17.1864 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 9.29203 11.091 9.90142 13.6806 7.57812 10.3147 9.59909 8.71924 8.54425 14.4206 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 9.29203 11.091 9.90142 16.2617 8.69104 15.6823 9.59909 8.71924 8.54425 17.1864 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.28096 9.67343 7.04472 12.4113 6.89451 4.481 10.1135 4.21609 9.53713 7.99204 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.28096 9.67343 7.04472 12.4113 6.89451 4.481 10.1135 4.21609 9.53713 7.99204 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.28096 9.67343 7.04472 12.4113 6.89451 4.481 10.1135 4.21609 9.53713 7.99204 numMergedOcc 0
