0 mol 43 unq 0 iso 0 dist 4.44406 12.345 9.52295 12.4205 9.36759 4.66789 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 4.44406 12.345 9.52295 5.71606 5.0553 9.8284 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 8.68377 5.88705 4.7864 10.7096 9.57666 7.18353 numMergedOcc 0
3 mol 53 unq 1 iso 0 dist 6.63089 3.47775 4.7864 5.95586 9.57666 7.18353 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 6.57886 8.96662 8.18695 6.4022 4.71246 10.4299 numMergedOcc 0
5 mol 81 unq 1 iso 0 dist 6.57886 4.68007 7.82027 6.4022 4.71246 5.39514 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 9.01327 4.23182 8.6176 9.36488 6.29207 6.16048 numMergedOcc 0
7 mol 107 unq 0 iso 0 dist 9.24821 9.78371 8.83855 13.8568 6.99676 12.4695 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.61323 5.91575 9.91321 9.94763 7.34368 5.88232 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 4.58432 11.6766 9.06801 12.6755 9.87656 4.62126 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 4.58432 11.6766 9.06801 5.60671 5.35463 8.90456 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.9987 3.39334 9.18848 8.85571 7.41387 11.2678 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 9.83117 10.1929 6.54995 15.8633 6.35103 8.52732 numMergedOcc 0
13 mol 163 unq 1 iso 0 dist 9.83117 6.65976 5.27374 15.8633 6.35103 10.0505 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 5.7554 11.0803 7.39089 4.7112 7.43688 14.2074 numMergedOcc 0
15 mol 243 unq 1 iso 0 dist 5.7554 11.0803 7.39089 9.56957 5.50716 5.80426 numMergedOcc 0
16 mol 243 unq 2 iso 0 dist 7.3738 8.91375 7.39089 8.85604 7.43688 14.2074 numMergedOcc 0
17 mol 243 unq 3 iso 0 dist 7.3738 8.91375 7.39089 6.36228 5.50716 5.80426 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.89002 7.46031 7.01175 7.94063 9.27812 8.61267 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 8.89002 12.0129 7.50074 7.94063 9.27812 14.1041 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 6.93453 11.3093 6.96758 12.759 8.64115 4.22263 numMergedOcc 0
