0 mol 43 unq 0 iso 0 dist 8.84944 14.9082 8.03754 16.6791 8.75469 9.74445 22.5146 14.0204 8.80331 10.323 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.84944 14.9082 8.03754 16.6791 8.75469 9.74445 19.6842 13.1056 6.20293 14.445 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 7.21995 4.80528 8.03754 10.0917 8.75469 9.74445 12.8866 14.0204 8.80331 10.323 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 7.21995 4.80528 8.03754 10.0917 8.75469 9.74445 10.6604 13.1056 6.20293 14.445 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.8795 10.0338 8.44473 15.7081 12.9303 9.62468 16.1999 11.2947 6.65721 10.7369 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 8.8795 10.0338 8.44473 15.7081 12.9303 9.62468 12.1145 4.78811 6.72123 11.5608 numMergedOcc 0
6 mol 61 unq 2 iso 0 dist 8.8795 10.0338 8.44473 15.5937 13.2942 5.92705 16.1999 11.2947 6.65721 5.4671 numMergedOcc 0
7 mol 61 unq 3 iso 0 dist 8.8795 10.0338 8.44473 15.5937 13.2942 5.92705 12.1145 4.78811 6.72123 10.1513 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 7.6453 4.80675 8.00624 7.07421 5.06265 6.29026 10.1938 15.4586 8.54584 11.5533 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.65031 14.069 8.41774 16.2429 7.53439 9.10619 21.5408 13.1435 8.56324 9.66339 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 9.65031 14.069 8.41774 16.2429 7.53439 9.10619 19.3797 13.793 6.70283 13.9994 numMergedOcc 0
11 mol 152 unq 2 iso 0 dist 9.65031 14.069 8.41774 16.2429 7.53439 9.10619 15.7694 11.2124 7.16148 14.2552 numMergedOcc 0
12 mol 152 unq 3 iso 0 dist 8.51844 4.46956 8.41774 10.4601 7.53439 9.10619 12.7437 13.1435 8.56324 9.66339 numMergedOcc 0
13 mol 152 unq 4 iso 0 dist 8.51844 4.46956 8.41774 10.4601 7.53439 9.10619 10.5594 13.793 6.70283 13.9994 numMergedOcc 0
14 mol 152 unq 5 iso 0 dist 8.51844 4.46956 8.41774 10.4601 7.53439 9.10619 10.166 11.2124 7.16148 14.2552 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.25149 6.19375 5.39218 7.57712 10.1832 7.31105 15.0279 13.3213 9.23153 14.6296 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 5.25149 6.19375 5.39218 7.57712 10.1832 7.31105 13.2107 11.4842 8.24498 9.52692 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 8.8113 16.607 8.80858 13.5186 5.8656 7.39839 10.2166 4.46743 6.65832 7.65225 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 8.8113 16.607 8.80858 13.5186 5.8656 7.39839 13.6975 4.93626 6.60589 4.91322 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 8.8113 16.607 8.80858 13.5186 5.8656 7.39839 19.4037 11.8641 9.16166 12.979 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 6.23677 6.87755 7.49783 11.9987 11.5364 6.56437 12.2287 12.8561 8.95269 14.2632 numMergedOcc 0
21 mol 224 unq 4 iso 0 dist 6.23677 6.87755 7.49783 7.58998 6.88745 6.23882 12.2287 12.8561 8.95269 15.0038 numMergedOcc 0
22 mol 224 unq 5 iso 0 dist 6.23677 6.87755 7.49783 15.2131 12.1666 9.53131 12.2287 12.8561 8.95269 9.59595 numMergedOcc 0
23 mol 224 unq 6 iso 0 dist 6.23677 6.87755 7.49783 12.0605 9.9943 9.34636 12.2287 12.8561 8.95269 5.63485 numMergedOcc 0
24 mol 224 unq 7 iso 0 dist 9.04741 12.3271 7.49783 16.9768 11.5364 6.56437 16.6527 12.8561 8.95269 14.2632 numMergedOcc 0
25 mol 224 unq 8 iso 0 dist 9.04741 12.3271 7.49783 11.537 6.88745 6.23882 16.6527 12.8561 8.95269 15.0038 numMergedOcc 0
26 mol 224 unq 9 iso 0 dist 9.04741 12.3271 7.49783 20.0294 12.1666 9.53131 16.6527 12.8561 8.95269 9.59595 numMergedOcc 0
27 mol 224 unq 10 iso 0 dist 9.04741 12.3271 7.49783 15.9323 9.9943 9.34636 16.6527 12.8561 8.95269 5.63485 numMergedOcc 0
28 mol 224 unq 11 iso 0 dist 7.31608 11.0252 7.49783 16.8876 11.5364 6.56437 12.7763 12.8561 8.95269 14.2632 numMergedOcc 0
29 mol 224 unq 12 iso 0 dist 7.31608 11.0252 7.49783 12.3857 6.88745 6.23882 12.7763 12.8561 8.95269 15.0038 numMergedOcc 0
30 mol 224 unq 13 iso 0 dist 7.31608 11.0252 7.49783 16.7035 12.1666 9.53131 12.7763 12.8561 8.95269 9.59595 numMergedOcc 0
31 mol 224 unq 14 iso 0 dist 7.31608 11.0252 7.49783 11.2964 9.9943 9.34636 12.7763 12.8561 8.95269 5.63485 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 4.71683 5.52669 9.44496 9.13126 8.3795 9.10613 6.73134 7.41812 8.04248 6.0258 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 6.33567 6.51074 7.69358 8.57305 5.00751 5.81927 10.3219 9.80642 6.97229 9.49027 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 8.10903 9.78068 9.04358 7.70189 5.27718 8.58088 14.0712 8.81588 6.60405 10.221 numMergedOcc 0
35 mol 258 unq 2 iso 0 dist 8.10903 9.78068 9.04358 7.70189 5.27718 8.58088 8.81059 5.90131 6.42289 9.22664 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 6.66936 7.44724 4.81916 6.23539 5.95045 6.90434 14.2462 7.94155 9.7748 13.2927 numMergedOcc 0
37 mol 277 unq 1 iso 0 dist 8.15119 5.77904 4.81916 12.4458 5.95045 6.90434 8.35794 7.94155 9.7748 13.2927 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 4.45141 7.38048 7.96485 13.7994 11.4101 8.85762 10.6192 8.26589 6.0664 4.95798 numMergedOcc 0
