0 mol 73 unq 0 iso 0 dist 6.95094 5.68894 11.341 6.35914 8.14547 9.53456 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 6.95094 7.32265 10.0459 6.35914 8.14547 9.66175 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.6308 7.94379 5.12529 4.28396 5.28331 7.01987 numMergedOcc 0
3 mol 101 unq 0 iso 0 dist 9.1109 7.11476 4.39441 4.80201 8.83779 8.2549 numMergedOcc 0
4 mol 101 unq 1 iso 0 dist 5.51185 7.11476 4.84084 4.80201 8.91685 8.2549 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 7.8034 9.14809 9.45822 5.0614 6.94015 11.476 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 7.8034 6.45169 10.1774 5.0614 6.94015 10.8939 numMergedOcc 0
7 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 5.19808 5.79144 6.81144 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 7.21636 9.54774 12.5216 4.52353 8.78397 12.1038 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 5.13722 8.49577 8.78766 10.5517 8.98606 17.4487 numMergedOcc 0
10 mol 193 unq 0 iso 0 dist 9.16852 7.71716 3.53549 11.2707 6.63784 9.73679 numMergedOcc 0
11 mol 193 unq 1 iso 0 dist 9.16852 7.71716 3.53549 13.7744 9.00934 12.0533 numMergedOcc 0
12 mol 193 unq 2 iso 0 dist 5.19654 8.71993 3.53549 4.40965 6.63784 9.73679 numMergedOcc 0
13 mol 193 unq 3 iso 0 dist 5.19654 8.71993 3.53549 6.04442 9.00934 12.0533 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.21112 6.02053 8.82544 6.20494 9.88692 4.93303 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.21112 6.02053 8.82544 13.2338 9.38368 11.7663 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 7.06533 7.41663 8.82544 5.10421 9.88692 4.93303 numMergedOcc 0
17 mol 205 unq 3 iso 0 dist 7.06533 7.41663 8.82544 9.56612 9.38368 11.7663 numMergedOcc 0
18 mol 205 unq 4 iso 0 dist 5.94835 7.09439 5.16703 14.6973 9.88692 14.3729 numMergedOcc 0
19 mol 205 unq 5 iso 0 dist 5.94835 7.09439 5.16703 13.8741 9.38368 12.3863 numMergedOcc 0
20 mol 205 unq 6 iso 0 dist 6.76947 7.09439 6.81258 13.8741 9.29298 12.3863 numMergedOcc 0
21 mol 211 unq 0 iso 0 dist 9.45365 8.66183 13.6185 11.3775 8.13147 18.7882 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 6.04688 5.70674 4.88298 5.63037 7.80866 9.04147 numMergedOcc 0
23 mol 255 unq 0 iso 0 dist 6.61193 7.16286 6.41518 5.09111 8.32084 9.81328 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.34471 9.53832 8.44005 4.2886 9.33223 13.117 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 9.05149 8.13605 11.3568 4.52227 8.69923 12.3302 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.42812 6.40125 10.3278 3.60894 9.48076 9.80798 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 9.9227 6.38295 11.4101 9.17893 8.87017 10.6787 numMergedOcc 0
