0 mol 34 unq 0 iso 0 dist 9.13116 14.262 9.63403 15.4531 6.62645 8.63361 17.6113 15.7295 9.31883 14.9872 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.13116 14.262 9.63403 15.4531 6.62645 8.63361 20.1896 16.8534 9.475 14.6661 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 9.13116 14.262 9.63403 15.4531 6.62645 8.63361 16.7934 12.3865 8.34011 10.357 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 9.13116 14.262 9.63403 15.4531 6.62645 8.63361 13.2311 5.50427 6.29842 4.465 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 7.38183 10.8036 6.73983 5.77628 4.38393 8.93453 4.93944 3.80763 8.88454 5.50466 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 9.18176 7.65994 5.06613 15.4254 7.72754 8.60521 12.8192 5.83776 5.42715 4.78989 numMergedOcc 0
6 mol 152 unq 1 iso 0 dist 9.18176 7.65994 5.06613 15.4254 7.72754 8.60521 16.7925 11.2086 9.70575 9.43672 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 8.32841 14.911 7.46845 16.8086 11.3995 5.90883 11.5642 5.64188 5.22104 6.69196 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 8.32841 14.911 7.46845 15.2186 11.6326 8.06913 11.5642 5.64188 5.22104 7.91467 numMergedOcc 0
9 mol 156 unq 2 iso 0 dist 6.56065 11.1159 7.46845 16.251 11.3995 5.90883 11.7579 5.64188 5.22104 6.69196 numMergedOcc 0
10 mol 156 unq 3 iso 0 dist 6.56065 11.1159 7.46845 16.3171 11.6326 8.06913 11.7579 5.64188 5.22104 7.91467 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 8.68243 13.082 9.79069 16.8716 15.9955 7.3546 13.5794 6.5925 7.69757 14.9976 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.09667 5.37893 5.45675 9.03496 5.91678 7.23293 7.62945 5.39534 8.46395 9.42515 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 6.28889 8.4769 9.41624 7.46207 3.98356 6.22972 6.10013 6.18551 7.06636 5.43768 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 9.819 11.802 6.37788 15.0285 5.92931 5.52678 7.26295 3.7326 5.13892 7.82899 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 9.819 11.802 6.37788 15.0285 5.92931 5.52678 7.31316 7.29209 5.78717 10.0237 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 9.819 12.0623 8.7028 15.0285 5.92931 9.81666 7.26295 3.7326 8.2232 7.82899 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 9.1191 9.71846 7.39391 14.6356 12.0545 8.55481 7.38867 3.99887 8.38453 14.8966 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 6.12402 5.86656 7.21655 11.5801 11.5512 5.74568 13.3754 10.197 8.78525 7.06901 numMergedOcc 0
