0 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 14.3372 6.8464 6.769 15.1647 8.41585 10.6104 5.0893 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 9.83489 8.03754 4.99287 5.5249 8.80331 11.0096 14.0204 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.06275 6.41579 8.38387 9.83489 8.03754 4.99287 10.4413 6.20293 11.8286 13.1056 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.90024 14.9559 8.38387 14.6778 8.03754 4.99287 13.9129 8.80331 11.0096 14.0204 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.90024 14.9559 8.38387 14.6778 8.03754 4.99287 5.84171 6.20293 11.8286 13.1056 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.26438 9.97562 8.3164 16.2476 9.41191 12.6973 5.68669 8.69985 11.5656 12.7291 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 6.43255 13.5611 8.3164 9.88245 9.41191 12.6973 6.80429 8.69985 11.5656 12.7291 numMergedOcc 0
7 mol 109 unq 2 iso 0 dist 7.4389 13.6781 8.3164 4.83143 9.41191 12.6973 12.3794 8.69985 11.5656 12.7291 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 8.47907 5.08302 9.40018 14.9119 8.75778 13.7131 9.75696 8.37808 11.0216 9.00329 numMergedOcc 0
9 mol 122 unq 1 iso 0 dist 8.47907 11.2519 6.78949 14.9119 8.75778 4.24711 9.75696 8.37808 7.54208 9.00329 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.66715 13.3005 9.50322 16.6927 9.1146 15.9933 14.0905 7.11802 5.37072 11.0256 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.95433 15.4773 9.50322 4.42593 9.1146 15.9933 11.0811 7.11802 5.37072 11.0256 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.84656 18.3189 9.60411 15.0514 6.48328 5.73962 10.879 6.37586 10.5108 10.0911 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.84656 18.3189 9.60411 15.0514 6.48328 5.73962 16.7911 9.71307 6.20443 9.66197 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.34839 6.11789 8.07256 8.6893 8.41774 4.81561 5.65129 8.56324 10.4039 13.1435 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 8.34839 6.11789 8.07256 8.6893 8.41774 4.81561 10.5295 6.70283 11.1874 13.793 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 8.34839 6.11789 8.07256 8.6893 8.41774 4.81561 10.7929 7.16148 8.36099 11.2124 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 6.53913 4.88159 5.59806 13.5763 9.23645 9.13316 12.4033 9.87651 8.66436 6.45463 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 8.95071 9.48296 5.66569 5.81446 5.90804 4.60599 18.4732 9.99038 11.2013 13.6195 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 8.95071 9.48296 5.66569 5.81446 5.90804 4.60599 12.8358 6.27581 4.15973 7.45579 numMergedOcc 0
20 mol 236 unq 2 iso 0 dist 8.95071 5.05085 6.11137 5.81446 5.90804 4.24722 18.4732 9.99038 15.1664 13.6195 numMergedOcc 0
21 mol 236 unq 3 iso 0 dist 8.95071 5.05085 6.11137 5.81446 5.90804 4.24722 12.8358 6.27581 9.01197 7.45579 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.23956 12.7088 9.29635 10.2688 4.81916 12.5633 15.6875 9.7748 10.8075 7.94155 numMergedOcc 0
