0 mol 18 unq 0 iso 0 dist 8.02753 5.32758 5.59658 11.1731 4.76781 7.60512 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.23075 5.11617 7.85986 5.68215 9.24731 6.61696 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.23075 5.11617 7.85986 10.9113 11.1587 5.80953 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.7841 4.50066 7.03544 5.68215 3.53396 6.19899 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 4.7841 4.50066 7.03544 10.4441 10.8745 8.49709 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 4.7841 5.11617 4.30252 5.68215 3.53396 6.61696 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 4.7841 5.11617 4.30252 10.9113 8.72577 5.80953 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 7.98005 10.797 9.82851 16.1166 15.8256 9.36924 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 7.98005 10.9837 9.11311 13.6545 7.78809 6.7142 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 7.15542 8.82805 7.20729 9.17838 3.3785 6.07052 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 9.23438 10.2049 6.41008 15.888 8.98585 7.58739 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 9.23438 10.2049 6.41008 13.3281 10.5853 9.01564 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 9.23438 10.2049 6.41008 11.5155 5.11422 7.11065 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 7.17488 5.49591 6.41008 11.2189 8.98585 7.58739 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 7.17488 5.49591 6.41008 8.96727 10.5853 9.01564 numMergedOcc 0
15 mol 58 unq 5 iso 0 dist 7.17488 5.49591 6.41008 8.01308 5.11422 7.11065 numMergedOcc 0
16 mol 58 unq 6 iso 0 dist 6.79356 5.85698 6.41008 11.7132 8.98585 7.58739 numMergedOcc 0
17 mol 58 unq 7 iso 0 dist 6.79356 5.85698 6.41008 14.4498 10.5853 9.01564 numMergedOcc 0
18 mol 58 unq 8 iso 0 dist 6.79356 5.85698 6.41008 10.6166 5.11422 7.11065 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 5.25027 9.69296 7.56495 14.6142 11.5615 9.77084 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 5.25027 9.69296 7.56495 11.2699 10.2908 6.5551 numMergedOcc 0
21 mol 79 unq 2 iso 0 dist 4.37025 9.69296 7.63923 14.6142 10.6375 9.77084 numMergedOcc 0
22 mol 79 unq 3 iso 0 dist 4.37025 9.69296 7.63923 11.2699 7.19532 6.5551 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 4.17838 7.05542 8.43964 7.13008 7.35325 8.98912 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 9.37946 8.6888 5.41121 11.1627 13.5169 9.15283 numMergedOcc 0
25 mol 175 unq 0 iso 0 dist 9.32259 11.6798 4.51777 13.1336 5.42718 8.81244 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 5.90765 8.98536 9.31569 13.141 11.6544 8.92115 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 5.90765 7.30024 8.72743 8.73533 3.60793 9.45907 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 7.86092 8.77113 8.34477 7.88013 3.42559 8.66624 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 8.25985 4.9377 9.78273 6.71524 3.43286 9.9183 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 6.76495 4.66802 7.08328 10.8595 6.41309 7.95464 numMergedOcc 0
31 mol 258 unq 1 iso 0 dist 5.4557 6.93678 7.08328 9.17612 6.41309 7.95464 numMergedOcc 0
32 mol 275 unq 0 iso 0 dist 8.81644 4.33371 5.74353 11.0346 5.57469 9.91011 numMergedOcc 0
