0 mol 26 unq 0 iso 0 dist 9.7522 4.21886 9.80897 15.0931 8.34347 12.8257 17.8374 10.6756 15.3756 5.69955 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.7522 8.25891 8.37225 15.0931 8.34347 8.70636 17.8374 10.6756 13.1344 5.69955 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 4.99287 8.03754 11.0096 8.80331 14.0204 16.6874 9.06158 16.8389 9.93832 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.38387 4.99287 8.03754 11.8286 6.20293 13.1056 16.6874 9.06158 16.8389 8.60739 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.00229 12.9552 9.75265 10.1484 8.95999 5.03467 11.4858 7.29086 12.6209 9.44501 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.58793 11.4201 9.67557 10.1919 7.95579 6.53819 11.4371 5.08358 9.27584 8.00777 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.58793 11.4201 9.67557 9.21014 6.19965 9.9705 11.4371 5.08358 9.27584 7.1589 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.15985 12.3624 9.90769 6.68714 9.60462 13.4578 10.7968 17.3924 20.7339 9.92283 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.15985 12.3624 9.90769 6.68714 9.60462 13.4578 7.98999 3.98564 10.9045 7.23962 numMergedOcc 0
9 mol 112 unq 2 iso 0 dist 7.15985 12.3624 9.90769 6.71889 7.45389 6.69178 7.98999 3.98564 10.9045 7.30204 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.07256 4.81561 8.41774 10.4039 8.56324 13.1435 16.5342 9.35627 17.4405 9.77552 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.07256 4.81561 8.41774 11.1874 6.70283 13.793 16.5342 9.35627 17.4405 8.28642 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 5.96555 4.12904 8.52924 4.6995 6.03031 7.17157 10.6084 5.28092 13.2681 8.44861 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 5.96555 4.12904 8.52924 10.7091 7.26832 11.993 10.6084 5.28092 13.2681 5.60393 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 9.89665 4.93347 6.61371 11.247 7.68742 9.63949 16.2625 9.05842 14.7009 8.50331 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 5.66569 4.60599 5.90804 4.15973 6.27581 7.45579 8.38439 7.00028 5.6241 8.50331 numMergedOcc 0
16 mol 236 unq 2 iso 0 dist 6.11137 4.24722 5.90804 9.01197 6.27581 7.45579 9.30828 7.00028 5.6241 8.50331 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.94315 5.64173 4.80834 12.521 5.72887 7.04671 16.6013 12.3808 12.3408 7.32982 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.59074 4.11566 4.80834 9.18011 5.72887 7.04671 13.3717 12.3808 12.3408 7.32982 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 6.2365 5.64162 4.80834 4.7157 5.72887 7.04671 10.8216 12.3808 12.3408 7.32982 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 5.73834 5.66907 9.04358 6.48867 6.60405 8.81588 11.329 7.42673 12.869 6.70815 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 5.73834 5.66907 9.04358 7.52881 6.42289 5.90131 11.329 7.42673 12.869 7.99477 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 5.73834 5.66907 9.04358 7.52881 6.42289 5.90131 11.7075 6.44209 12.8643 7.86627 numMergedOcc 0
