0 mol 52 unq 0 iso 0 dist 6.08894 8.72923 6.66056 9.79797 6.68648 5.14633 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 9.02308 6.68656 6.66056 9.46119 6.68648 5.14633 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 9.45717 8.21272 17.6269 8.25027 4.19723 16.0555 numMergedOcc 0
3 mol 168 unq 0 iso 0 dist 7.53748 8.80059 7.32989 8.96534 11.2701 16.2709 numMergedOcc 0
4 mol 168 unq 1 iso 0 dist 7.53748 8.80059 7.32989 8.65328 9.87321 12.6805 numMergedOcc 0
5 mol 168 unq 2 iso 0 dist 7.53748 8.80059 7.32989 5.69346 5.16335 7.61798 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 8.68992 6.08141 5.90026 5.98495 3.65288 4.88147 numMergedOcc 0
7 mol 222 unq 0 iso 0 dist 6.82584 8.81874 6.37513 9.06892 6.12236 4.00869 numMergedOcc 0
8 mol 232 unq 0 iso 0 dist 6.94983 8.70651 4.9377 7.13253 5.42461 4.68548 numMergedOcc 0
9 mol 234 unq 0 iso 0 dist 8.58958 8.88567 15.6307 4.37501 5.53885 10.2835 numMergedOcc 0
10 mol 234 unq 1 iso 0 dist 8.58958 9.45787 13.8349 4.37501 5.53885 11.1693 numMergedOcc 0
11 mol 234 unq 2 iso 0 dist 7.17987 8.88567 10.998 4.37501 3.95629 10.2835 numMergedOcc 0
12 mol 234 unq 3 iso 0 dist 7.17987 9.45787 10.0059 4.37501 3.95629 11.1693 numMergedOcc 0
13 mol 257 unq 0 iso 0 dist 5.16581 9.34175 10.8766 7.57749 4.68866 8.56997 numMergedOcc 0
14 mol 257 unq 1 iso 0 dist 5.13633 9.34175 5.754 7.57749 5.66175 8.56997 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 8.82941 6.99089 9.2768 8.6959 10.504 12.359 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 8.23147 9.76241 4.37645 7.98589 4.40029 6.64795 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 6.49176 9.76241 7.70529 7.98589 3.97543 6.64795 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 6.02089 5.54272 4.95054 8.51266 6.73772 9.83556 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 6.87804 5.54272 8.83082 8.51266 15.2885 9.83556 numMergedOcc 0
