0 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 17.519 10.454 6.56335 18.4854 13.0191 6.73355 7.40724 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 10.9853 5.97304 6.60423 14.0386 12.4274 5.39241 8.62284 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.8374 10.6756 5.69955 24.4451 17.2621 9.87119 7.61055 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.15985 6.68714 9.60462 10.7968 17.3924 9.92283 12.9905 17.7547 8.57646 7.82011 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 11.9843 5.61704 5.72642 13.4091 11.695 11.7126 9.9928 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 4.98864 10.9437 7.88312 11.2871 7.3094 5.72642 5.46352 6.99777 11.7126 9.9928 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 7.95871 12.0354 7.88312 14.361 7.3094 5.72642 10.3995 6.99777 11.7126 9.9928 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 7.39532 5.97111 8.33077 6.53156 6.89257 8.84655 6.42785 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.31125 4.29914 7.12972 10.5132 9.32969 6.92648 6.29911 11.0153 4.89973 9.39683 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 10.5132 9.32969 9.29384 6.29911 11.0153 7.00551 9.39683 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 10.6084 5.28092 8.44861 12.5517 9.19704 8.66809 5.42696 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 10.6084 5.28092 5.60393 12.5517 9.19704 6.23291 5.42696 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 18.2547 12.9587 8.38865 16.4464 15.4174 9.60993 9.20589 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 9.07872 9.9474 7.09863 18.2547 12.9587 8.38865 21.6144 16.1617 13.3557 7.89801 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 16.6013 12.3808 7.32982 19.7776 13.9989 8.85181 9.42618 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 13.3717 12.3808 7.32982 15.1836 13.9989 8.85181 9.42618 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.8216 12.3808 7.32982 9.91225 13.9989 8.85181 9.42618 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 9.66555 12.2428 6.22714 15.1827 10.216 5.64181 18.1876 10.5202 10.4664 8.6597 numMergedOcc 0
18 mol 238 unq 4 iso 0 dist 9.66555 12.2428 6.22714 15.1827 10.216 5.64181 16.4667 12.1784 11.2717 7.47235 numMergedOcc 0
19 mol 238 unq 5 iso 0 dist 9.66555 12.2428 6.22714 15.1827 10.216 5.64181 8.92175 7.49471 5.17471 6.44735 numMergedOcc 0
20 mol 238 unq 6 iso 0 dist 9.66555 12.2428 6.22714 15.1827 10.216 5.64181 14.2865 10.9946 5.03393 5.91208 numMergedOcc 0
21 mol 238 unq 7 iso 0 dist 8.67205 8.66185 6.22714 12.1317 10.216 5.64181 17.0559 10.5202 10.4664 8.6597 numMergedOcc 0
22 mol 238 unq 8 iso 0 dist 8.67205 8.66185 6.22714 12.1317 10.216 5.64181 15.6785 12.1784 11.2717 7.47235 numMergedOcc 0
23 mol 238 unq 9 iso 0 dist 8.67205 8.66185 6.22714 12.1317 10.216 5.64181 5.94371 7.49471 5.17471 6.44735 numMergedOcc 0
24 mol 238 unq 10 iso 0 dist 8.67205 8.66185 6.22714 12.1317 10.216 5.64181 9.72668 10.9946 5.03393 5.91208 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 9.30428 7.31951 8.59697 4.09442 8.37865 5.31048 6.39918 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 12.6659 6.59863 9.05222 10.9346 10.597 5.7074 7.35433 numMergedOcc 0
27 mol 272 unq 1 iso 0 dist 9.96394 11.5918 8.33638 16.9819 8.7909 8.46061 14.0341 10.1966 8.52877 7.55161 numMergedOcc 0
