0 mol 51 unq 0 iso 0 dist 9.66898 8.55004 4.9987 7.24502 12.9167 8.84151 7.23303 11.1832 7.73836 5.2887 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 9.44364 7.28815 4.29097 10.1018 12.1922 8.92529 9.85206 11.7461 7.50921 7.78799 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 9.0455 7.13958 5.0466 4.74644 6.65878 7.6453 9.05571 8.09774 8.85652 6.31483 numMergedOcc 0
3 mol 129 unq 1 iso 0 dist 9.0455 7.13958 5.0466 4.74644 6.65878 7.6453 9.63308 11.4776 9.31543 9.82512 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.64946 7.17051 5.57746 5.9683 11.9103 9.2759 3.75291 9.76097 5.9959 4.85121 numMergedOcc 0
5 mol 139 unq 0 iso 0 dist 8.49892 5.77343 4.94393 4.19005 9.71665 8.78382 4.37138 7.02063 7.20542 3.82037 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 8.59783 6.20851 5.24208 5.93953 10.0089 6.19457 9.12839 6.51523 9.67711 10.9652 numMergedOcc 0
7 mol 187 unq 0 iso 0 dist 7.81168 5.82577 8.91643 10.7172 13.7054 5.58167 5.93957 8.94341 5.7938 8.06583 numMergedOcc 0
8 mol 187 unq 1 iso 0 dist 7.81168 5.82577 8.91643 4.75665 7.87608 8.0501 5.93957 8.94341 5.7938 3.94358 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 9.80584 8.86627 4.65303 8.61606 5.21088 7.36571 9.82173 7.93715 5.77035 6.62595 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 9.80584 8.86627 4.65303 4.25327 12.3136 9.80122 9.82173 7.93715 5.77035 9.6618 numMergedOcc 0
11 mol 192 unq 2 iso 0 dist 9.80584 8.86627 4.65303 4.97164 8.25609 9.17137 9.82173 7.93715 5.77035 12.1003 numMergedOcc 0
12 mol 192 unq 3 iso 0 dist 7.95713 9.10569 4.65303 5.41356 5.21088 7.36571 9.52963 7.93715 5.77035 6.62595 numMergedOcc 0
13 mol 192 unq 4 iso 0 dist 7.95713 9.10569 4.65303 8.1874 12.3136 9.80122 9.52963 7.93715 5.77035 9.6618 numMergedOcc 0
14 mol 192 unq 5 iso 0 dist 7.95713 9.10569 4.65303 4.87986 8.25609 9.17137 9.52963 7.93715 5.77035 12.1003 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 9.37229 7.54614 6.92911 12.983 15.606 8.74399 10.2945 14.8729 8.31266 5.27153 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.37512 9.52903 11.3847 5.66907 12.5673 8.10903 11.7204 18.0482 9.6327 8.78474 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 8.37512 9.52903 11.3847 9.6053 13.6155 7.25618 11.7204 18.0482 9.6327 11.3267 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 7.34794 8.06908 6.92619 5.99165 11.0717 8.54422 5.49348 4.95855 8.40328 11.0103 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 7.34794 8.06908 6.92619 5.99165 11.0717 8.54422 5.13138 7.72489 8.2518 10.099 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 7.34794 8.06908 6.92619 4.78344 10.5924 7.67473 5.49348 4.95855 8.40328 8.71577 numMergedOcc 0
21 mol 259 unq 3 iso 0 dist 7.34794 8.06908 6.92619 4.78344 10.5924 7.67473 5.13138 7.72489 8.2518 6.47425 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 8.12306 5.76796 6.37482 11.2606 13.5396 7.872 9.11313 10.6626 5.49829 3.05975 numMergedOcc 0
23 mol 285 unq 1 iso 0 dist 8.12306 5.76796 6.37482 11.2606 13.5396 7.872 6.01574 5.09181 6.24134 11.5704 numMergedOcc 0
24 mol 285 unq 2 iso 0 dist 8.12306 5.76796 6.37482 8.7778 7.38536 6.32984 9.11313 10.6626 5.49829 5.76392 numMergedOcc 0
25 mol 285 unq 3 iso 0 dist 8.12306 5.76796 6.37482 8.7778 7.38536 6.32984 6.01574 5.09181 6.24134 4.4744 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 5.64662 9.27722 7.19568 3.85958 numMergedOcc 0
27 mol 287 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 5.64662 9.27722 7.19568 5.93557 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 5.64662 9.27722 7.19568 3.85958 numMergedOcc 0
29 mol 288 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 5.64662 9.27722 7.19568 5.93557 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 5.64662 9.27722 7.19568 3.85958 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 5.64662 9.27722 7.19568 5.93557 numMergedOcc 0
