0 mol 7 unq 0 iso 0 dist 5.51421 6.769 6.8464 10.6104 8.41585 5.0893 10.9688 6.06176 8.77133 6.36911 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.7522 4.21886 9.80897 15.0931 8.34347 12.8257 17.1125 11.887 14.3799 9.16962 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.7522 8.25891 8.37225 15.0931 8.34347 8.70636 17.1125 11.887 14.0874 9.16962 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.58793 11.4201 9.67557 9.21014 6.19965 9.9705 14.6315 11.6116 19.1239 9.47876 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 6.58793 11.4201 9.67557 7.83419 7.66905 15.3279 14.6315 11.6116 19.1239 7.22293 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.50322 15.9933 9.1146 5.37072 7.11802 11.0256 11.5756 4.68409 7.46812 7.92688 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 5.59806 9.13316 9.23645 8.66436 9.87651 6.45463 9.19849 6.58937 11.5728 8.62646 numMergedOcc 0
7 mol 214 unq 0 iso 0 dist 9.51764 8.79059 9.92165 6.53326 8.85478 12.7439 11.3587 6.67959 15.621 7.46831 numMergedOcc 0
8 mol 214 unq 1 iso 0 dist 5.36829 10.6379 9.92165 12.3481 8.85478 12.7439 10.5513 6.67959 15.621 7.46831 numMergedOcc 0
9 mol 224 unq 0 iso 0 dist 8.46129 6.32111 8.80858 5.72088 6.60589 4.93626 11.3096 6.12232 10.7011 6.65984 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 9.89665 4.93347 6.61371 4.38595 6.84306 5.03564 10.3034 11.3552 11.0934 7.17676 numMergedOcc 0
11 mol 236 unq 1 iso 0 dist 9.89665 4.93347 6.61371 4.38595 6.84306 5.03564 8.71945 11.6837 11.5406 6.68463 numMergedOcc 0
12 mol 236 unq 2 iso 0 dist 9.89665 4.93347 6.61371 11.247 7.68742 9.63949 10.3034 11.3552 11.0934 5.34718 numMergedOcc 0
13 mol 236 unq 3 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 6.98151 6.04825 10.3387 7.17676 numMergedOcc 0
14 mol 236 unq 4 iso 0 dist 5.66569 4.60599 5.90804 11.2013 9.99038 13.6195 12.9923 8.8265 14.2759 6.68463 numMergedOcc 0
15 mol 236 unq 5 iso 0 dist 5.66569 4.60599 5.90804 4.15973 6.27581 7.45579 6.98151 6.04825 10.3387 5.34718 numMergedOcc 0
16 mol 236 unq 6 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 9.91572 6.04825 10.3387 7.17676 numMergedOcc 0
17 mol 236 unq 7 iso 0 dist 6.11137 4.24722 5.90804 15.1664 9.99038 13.6195 14.8319 8.8265 14.2759 6.68463 numMergedOcc 0
18 mol 236 unq 8 iso 0 dist 6.11137 4.24722 5.90804 9.01197 6.27581 7.45579 9.91572 6.04825 10.3387 5.34718 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.94315 5.64173 4.80834 12.521 5.72887 7.04671 12.9182 13.069 10.5557 9.29858 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 8.59074 4.11566 4.80834 9.18011 5.72887 7.04671 9.77231 13.069 10.5557 9.29858 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 6.2365 5.64162 4.80834 4.7157 5.72887 7.04671 10.2583 13.069 10.5557 9.29858 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 9.73983 5.96176 7.00833 4.49913 8.45658 6.75336 10.4678 5.22253 10.1364 7.47164 numMergedOcc 0
