0 mol 27 unq 0 iso 0 dist 6.68662 11.3613 9.11084 4.66619 9.76721 10.6589 numMergedOcc 0
1 mol 27 unq 0 iso 1 dist 9.11084 11.3613 6.68662 10.6589 9.76721 4.66619 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 8.44721 5.55889 5.31062 10.585 9.71891 9.21621 numMergedOcc 0
3 mol 44 unq 0 iso 1 dist 5.31062 5.55889 8.44721 9.21621 9.71891 10.585 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 8.44721 5.55889 5.31062 5.57404 7.55822 7.08048 numMergedOcc 0
5 mol 44 unq 1 iso 1 dist 5.31062 5.55889 8.44721 7.08048 7.55822 5.57404 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 9.38103 12.2267 6.13256 7.2983 6.00709 11.0627 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 6.13256 12.2267 9.38103 11.0627 6.00709 7.2983 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 6.88471 10.2326 7.74797 10.928 9.739 5.13304 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 7.74797 10.2326 6.88471 5.13304 9.739 10.928 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 6.88471 5.45378 8.19547 10.928 9.739 10.8297 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 8.19547 5.45378 6.88471 10.8297 9.739 10.928 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 7.74797 12.223 8.19547 5.13304 9.739 10.8297 numMergedOcc 0
13 mol 78 unq 1 iso 1 dist 8.19547 12.223 7.74797 10.8297 9.739 5.13304 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 7.0847 7.06739 5.8981 12.2484 8.79457 12.8549 numMergedOcc 0
15 mol 83 unq 0 iso 1 dist 5.8981 7.06739 7.0847 12.8549 8.79457 12.2484 numMergedOcc 0
16 mol 83 unq 1 iso 0 dist 7.0847 7.06739 5.8981 13.6357 9.25264 6.82052 numMergedOcc 0
17 mol 83 unq 1 iso 1 dist 5.8981 7.06739 7.0847 6.82052 9.25264 13.6357 numMergedOcc 0
18 mol 151 unq 0 iso 0 dist 5.37884 4.43638 6.24917 4.51635 8.13302 8.56008 numMergedOcc 0
19 mol 151 unq 0 iso 1 dist 6.24917 4.43638 5.37884 8.56008 8.13302 4.51635 numMergedOcc 0
20 mol 151 unq 1 iso 0 dist 5.37884 4.43638 6.24917 5.24414 5.11555 5.34678 numMergedOcc 0
21 mol 151 unq 1 iso 1 dist 6.24917 4.43638 5.37884 5.34678 5.11555 5.24414 numMergedOcc 0
22 mol 151 unq 2 iso 0 dist 5.37884 4.43638 6.24917 7.9137 8.29457 4.83603 numMergedOcc 0
23 mol 151 unq 2 iso 1 dist 6.24917 4.43638 5.37884 4.83603 8.29457 7.9137 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 8.34851 15.7389 9.97781 12.7549 6.11207 4.67753 numMergedOcc 0
25 mol 276 unq 0 iso 1 dist 9.97781 15.7389 8.34851 4.67753 6.11207 12.7549 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 5.34771 4.80485 9.40332 9.63141 7.81415 10.2512 numMergedOcc 0
27 mol 283 unq 0 iso 1 dist 9.40332 4.80485 5.34771 10.2512 7.81415 9.63141 numMergedOcc 0
28 mol 286 unq 0 iso 0 dist 6.57496 3.96857 7.9554 7.22566 9.96295 5.71244 numMergedOcc 0
29 mol 286 unq 0 iso 1 dist 7.9554 3.96857 6.57496 5.71244 9.96295 7.22566 numMergedOcc 0
30 mol 286 unq 1 iso 0 dist 6.57496 3.96857 7.9554 5.79125 8.95266 9.73618 numMergedOcc 0
31 mol 286 unq 1 iso 1 dist 7.9554 3.96857 6.57496 9.73618 8.95266 5.79125 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 7.86603 12.8716 7.17626 11.5428 6.08044 5.60788 numMergedOcc 0
33 mol 287 unq 0 iso 1 dist 7.17626 12.8716 7.86603 5.60788 6.08044 11.5428 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 7.86603 12.8716 7.17626 14.8583 8.8956 10.718 numMergedOcc 0
35 mol 287 unq 1 iso 1 dist 7.17626 12.8716 7.86603 10.718 8.8956 14.8583 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 7.86603 12.8716 7.17626 11.5428 6.08044 5.60788 numMergedOcc 0
37 mol 288 unq 0 iso 1 dist 7.17626 12.8716 7.86603 5.60788 6.08044 11.5428 numMergedOcc 0
38 mol 288 unq 1 iso 0 dist 7.86603 12.8716 7.17626 14.8583 8.8956 10.718 numMergedOcc 0
39 mol 288 unq 1 iso 1 dist 7.17626 12.8716 7.86603 10.718 8.8956 14.8583 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 7.86603 12.8716 7.17626 11.5428 6.08044 5.60788 numMergedOcc 0
41 mol 289 unq 0 iso 1 dist 7.17626 12.8716 7.86603 5.60788 6.08044 11.5428 numMergedOcc 0
42 mol 289 unq 1 iso 0 dist 7.86603 12.8716 7.17626 14.8583 8.8956 10.718 numMergedOcc 0
43 mol 289 unq 1 iso 1 dist 7.17626 12.8716 7.86603 10.718 8.8956 14.8583 numMergedOcc 0
