0 mol 10 unq 0 iso 0 dist 9.27096 7.47015 8.76488 7.36963 5.04413 3.92592 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.33409 8.67718 9.29946 9.32581 3.8792 7.45976 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.68339 8.59945 4.90664 7.29121 5.74822 5.98721 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 9.68339 8.59945 4.90664 8.35847 9.2165 9.66249 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.83159 7.54919 11.037 7.56 6.2804 5.76452 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.63478 8.21272 13.8997 8.25027 12.9426 16.0555 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 6.8754 8.80059 10.8621 8.96534 9.27591 16.2709 numMergedOcc 0
7 mol 168 unq 1 iso 0 dist 6.8754 8.80059 10.8621 8.65328 11.412 12.6805 numMergedOcc 0
8 mol 168 unq 2 iso 0 dist 6.8754 8.80059 10.8621 5.69346 4.20684 7.61798 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.43816 8.28099 11.4677 5.09756 8.06464 4.03697 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 9.43816 8.28099 11.4677 7.44523 5.21837 8.99937 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 5.17005 8.96031 10.522 9.56218 9.64122 6.3369 numMergedOcc 0
12 mol 186 unq 3 iso 0 dist 5.17005 8.96031 10.522 8.30899 8.74196 8.54288 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 9.77345 8.81874 8.40968 9.06892 10.9651 4.00869 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.38809 8.70651 13.2043 7.13253 11.433 4.68548 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 9.79506 8.88567 16.7276 4.37501 7.24408 10.2835 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 9.79506 9.45787 17.9138 4.37501 7.24408 11.1693 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 8.94629 9.43704 7.15953 8.34536 11.8723 6.44203 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 8.94629 7.41653 8.01004 8.34536 11.8723 12.4315 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.62474 6.99089 13.5822 8.6959 14.2529 12.359 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 8.01441 6.99089 4.76167 8.6959 10.1664 12.359 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 8.7902 8.2053 7.64059 5.31969 6.14916 3.97454 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 7.61141 8.2053 14.3613 5.31969 11.7594 3.97454 numMergedOcc 0
