0 mol 58 unq 0 iso 0 dist 6.86485 4.67517 8.96727 7.71984 9.22598 4.81926 8.37546 6.20884 8.01308 9.55996 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.76234 8.47822 8.96727 12.5529 9.22598 4.81926 10.1165 6.20884 8.01308 9.55996 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 7.06277 6.529 7.47974 4.4691 8.40422 9.1532 9.55954 7.04263 6.53308 13.0722 numMergedOcc 0
3 mol 89 unq 1 iso 0 dist 7.06277 6.529 7.47974 5.38419 8.40425 4.8812 9.55954 7.04263 6.53308 10.7697 numMergedOcc 0
4 mol 89 unq 2 iso 0 dist 7.06277 6.529 7.47974 8.3977 5.51831 10.4087 9.55954 7.04263 6.53308 12.3442 numMergedOcc 0
5 mol 89 unq 3 iso 0 dist 7.06277 6.529 7.47974 9.83986 9.65149 10.8948 9.55954 7.04263 6.53308 15.1929 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.44426 4.70157 5.92242 9.04817 5.10496 9.51923 7.63284 9.6331 7.02507 9.89095 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.44426 4.70157 5.92242 6.21302 5.2571 9.42358 7.63284 9.6331 7.02507 12.7417 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.44426 4.70157 5.92242 11.2075 8.7497 13.9786 7.63284 9.6331 7.02507 17.1287 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 5.44426 6.21302 5.2571 9.04817 5.10496 8.40073 10.877 6.70343 7.54889 9.81956 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 5.44426 6.21302 5.2571 4.70157 5.92242 9.42358 10.877 6.70343 7.54889 10.8223 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 5.44426 6.21302 5.2571 11.2075 8.7497 5.02887 10.877 6.70343 7.54889 7.78931 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 5.44426 11.2075 8.7497 9.04817 5.10496 10.2427 10.877 6.70343 7.78931 9.81956 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 5.44426 11.2075 8.7497 4.70157 5.92242 13.9786 10.877 6.70343 7.78931 10.8223 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 5.44426 11.2075 8.7497 6.21302 5.2571 5.02887 10.877 6.70343 7.78931 7.54889 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 8.65429 9.9123 7.54889 8.35877 9.64383 13.659 13.0419 6.70343 5.2571 14.0897 numMergedOcc 0
16 mol 98 unq 10 iso 0 dist 8.65429 9.9123 7.54889 8.49566 7.78931 5.02887 13.0419 6.70343 5.2571 8.7497 numMergedOcc 0
17 mol 98 unq 11 iso 0 dist 8.65429 8.49566 7.78931 8.35877 9.64383 14.591 13.0419 6.70343 8.7497 14.0897 numMergedOcc 0
18 mol 98 unq 12 iso 0 dist 8.65429 8.49566 7.78931 9.9123 7.54889 5.02887 13.0419 6.70343 8.7497 5.2571 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 5.33967 5.15479 7.86666 14.949 9.77497 17.2949 5.93561 7.49425 6.29161 15.7676 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.21978 6.86762 9.42082 10.3475 6.39384 7.69052 6.17349 11.044 7.69765 13.4105 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 9.8564 14.9183 8.69531 12.0294 9.33094 6.81259 8.91647 5.83782 9.1998 11.0808 numMergedOcc 0
22 mol 197 unq 0 iso 0 dist 9.67667 9.73282 9.10817 4.74864 6.86828 5.43601 19.3791 16.8666 9.73548 15.043 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 7.9002 6.7444 6.50998 10.0712 8.1945 13.3965 12.539 8.05944 9.09424 14.7849 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 7.9002 6.7444 6.50998 10.0712 8.1945 13.3965 13.4564 13.7858 8.14831 21.1757 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 9.42801 15.4299 8.19317 10.8094 5.1823 7.218 14.1068 4.8835 6.29377 5.70635 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 9.42801 10.8094 5.1823 15.4299 8.19317 7.218 14.1068 4.8835 5.70635 6.29377 numMergedOcc 0
27 mol 251 unq 0 iso 0 dist 8.99048 4.34197 6.50357 6.30024 9.82601 5.19086 7.96982 3.63976 7.39775 10.322 numMergedOcc 0
