0 mol 0 unq 0 iso 0 dist 8.85565 7.79297 7.49611 11.7303 11.0244 7.65806 4.16512 5.98788 6.91778 9.15528 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.05483 6.49709 11.0953 5.51815 12.338 4.61088 10.4181 12.2282 5.96346 6.86684 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.34858 8.06275 5.90113 5.5249 9.17086 8.80331 5.33298 11.9521 8.95682 6.18002 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.34858 8.06275 5.90113 10.4413 10.615 6.20293 5.33298 11.9521 8.95682 8.38399 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 7.83167 9.61812 7.77542 11.5079 13.6846 8.87449 7.76066 7.1754 7.80975 7.97897 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 5.37661 6.71345 9.52181 6.49725 11.8382 7.5732 8.84017 12.7156 6.84011 7.436 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.17664 9.50575 5.47689 6.68557 6.55511 5.11551 13.4067 10.0041 6.92026 6.77806 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 9.18913 8.43116 5.47689 4.96719 6.55511 5.11551 5.19545 10.0041 6.92026 6.77806 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 9.18913 6.23645 6.00348 4.96719 6.55511 7.11972 5.19545 10.0041 5.88249 6.77806 numMergedOcc 0
9 mol 115 unq 3 iso 0 dist 9.18913 6.23645 6.00348 6.47836 12.6252 6.90986 5.19545 10.0041 5.88249 5.31484 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 9.71402 8.47907 11.9943 9.75696 18.0518 8.37808 6.9595 15.0655 9.23819 7.39059 numMergedOcc 0
11 mol 122 unq 1 iso 0 dist 9.71402 8.47907 11.9943 9.75696 18.0518 8.37808 10.577 18.2821 8.88537 5.0355 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.56224 8.95433 10.4303 11.0811 15.5187 7.11802 13.7968 9.93309 9.22232 16.0138 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 6.56224 8.95433 10.4303 11.0811 15.5187 7.11802 12.0166 16.8608 9.22661 5.92062 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 6.56224 8.95433 10.4303 11.0811 15.5187 7.11802 5.14992 11.0312 7.56378 6.61891 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.16832 5.79157 6.34069 13.0109 13.2555 9.86662 12.2847 15.0806 9.94764 4.57832 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 9.16832 5.79157 6.34069 14.1608 14.0187 9.71307 12.2847 15.0806 9.94764 5.29786 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.8328 9.74465 5.32859 8.42326 11.0615 8.03334 5.03999 8.50938 6.46704 4.43096 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.8328 9.74465 5.32859 8.42326 11.0615 8.03334 13.5125 9.8283 6.59025 8.04639 numMergedOcc 0
19 mol 209 unq 0 iso 0 dist 7.95916 5.92907 12.1401 5.35615 12.0618 7.56373 9.57857 17.0004 6.85935 6.552 numMergedOcc 0
20 mol 231 unq 0 iso 0 dist 9.79495 6.02527 6.39215 6.68357 12.9999 7.37839 6.46271 12.7446 7.79066 9.0443 numMergedOcc 0
21 mol 231 unq 1 iso 0 dist 9.79495 6.02527 6.39215 7.6832 12.3939 8.40182 6.46271 12.7446 7.79066 12.1512 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.20248 8.82778 4.77446 11.4665 6.83046 6.16342 15.4125 10.3104 8.84636 4.30299 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 7.36479 7.80612 7.95216 9.62983 12.7318 8.23192 9.85403 9.11142 8.76935 6.60697 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 7.36479 7.80612 7.95216 9.62983 12.7318 8.23192 7.14241 9.9718 8.47652 4.26017 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 6.89781 9.13226 6.04536 10.7073 12.1604 7.56915 8.85159 12.6353 9.85289 6.20558 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 6.89781 9.13226 6.04536 11.3302 11.4986 8.49997 8.85159 12.6353 9.85289 11.4459 numMergedOcc 0
