0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 7.02374 12.7627 7.92928 6.0225 9.72725 6.94943 4.22598 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.2708 10.672 9.55056 12.8323 9.87885 8.15894 4.40641 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 7.88043 10.2446 6.06176 6.36911 7.45262 12.8323 9.87885 8.15894 7.92429 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.41585 8.80762 12.3097 12.2708 10.672 7.57354 12.8323 9.87885 8.45544 4.40641 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 8.41585 8.80762 12.3097 6.06176 6.36911 6.96586 12.8323 9.87885 8.45544 7.92429 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 7.10621 5.72491 5.44992 10.789 7.31201 9.55056 7.12508 6.1206 8.15894 4.40641 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 7.10621 5.72491 5.44992 10.515 9.36807 7.45262 7.12508 6.1206 8.15894 7.92429 numMergedOcc 0
7 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 5.60154 8.47421 8.04924 5.84314 5.8245 7.05919 3.91075 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.34347 5.69955 10.6756 9.87119 17.2621 7.61055 8.25132 13.6027 6.73167 10.267 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 8.34347 5.69955 10.6756 9.87119 17.2621 7.61055 4.94205 12.8365 7.40948 6.77624 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.72991 11.6597 7.82011 10.5563 13.5845 5.43933 8.36589 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 6.72991 11.6597 7.82011 6.95317 8.47988 4.99604 4.89178 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 7.71338 6.43433 8.56707 6.72991 11.6597 7.82011 13.5094 18.1948 9.97483 10.119 numMergedOcc 0
13 mol 112 unq 3 iso 0 dist 7.71338 6.43433 8.56707 6.72991 11.6597 7.82011 6.75738 13.1243 7.44041 9.69404 numMergedOcc 0
14 mol 112 unq 4 iso 0 dist 9.60462 9.92283 17.3924 8.57646 17.7547 7.82011 12.6108 19.476 5.43933 8.36589 numMergedOcc 0
15 mol 112 unq 5 iso 0 dist 9.60462 9.92283 17.3924 8.57646 17.7547 7.82011 10.9279 19.9429 4.99604 4.89178 numMergedOcc 0
16 mol 112 unq 6 iso 0 dist 9.60462 9.92283 17.3924 8.57646 17.7547 7.82011 13.764 19.2666 9.97483 10.119 numMergedOcc 0
17 mol 112 unq 7 iso 0 dist 9.60462 9.92283 17.3924 8.57646 17.7547 7.82011 5.43385 10.2348 7.44041 9.69404 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 11.7126 11.695 9.9928 5.03039 6.04595 8.4965 13.2709 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 11.7126 13.9977 9.9928 5.03039 10.5599 8.4965 13.2709 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 11.7126 6.99777 9.9928 5.03039 11.8378 8.4965 13.2709 numMergedOcc 0
21 mol 130 unq 0 iso 0 dist 8.70949 8.33077 5.97111 8.84655 6.89257 6.42785 7.21225 10.4778 6.5739 11.4437 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 4.89973 11.0153 9.39683 8.57203 14.4508 6.78801 8.34485 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 7.00551 11.0153 9.39683 12.6005 14.4508 6.78801 8.34485 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 5.99315 7.25673 9.23795 6.01455 9.27292 7.88655 4.78563 5.37047 8.612 4.38322 numMergedOcc 0
25 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 5.25267 10.5498 5.98771 6.42973 7.06025 8.25282 5.88866 numMergedOcc 0
26 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 5.25267 11.4139 5.98771 6.42973 10.0638 8.25282 5.88866 numMergedOcc 0
27 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 5.25267 10.2288 5.98771 6.42973 13.2692 8.25282 5.88866 numMergedOcc 0
28 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 5.25267 11.4815 5.98771 6.42973 15.0672 8.25282 5.88866 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 6.43754 12.4085 7.1372 5.0317 10.7855 9.43618 4.09934 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 9.60993 12.9493 9.20589 4.1511 9.91384 5.28771 9.08701 numMergedOcc 0
31 mol 227 unq 2 iso 0 dist 7.22101 8.38865 11.0628 13.3557 12.3856 7.89801 4.1511 9.91384 5.28771 12.0749 numMergedOcc 0
32 mol 227 unq 3 iso 0 dist 7.22101 8.03442 10.5813 6.43754 8.17891 7.1372 5.0317 5.23634 9.43618 4.09934 numMergedOcc 0
33 mol 227 unq 4 iso 0 dist 8.65997 5.4694 11.0628 5.34702 12.9493 9.20589 4.69247 9.91384 5.28771 9.08701 numMergedOcc 0
34 mol 227 unq 5 iso 0 dist 8.65997 5.4694 11.0628 8.8709 12.3856 7.89801 4.69247 9.91384 5.28771 12.0749 numMergedOcc 0
35 mol 227 unq 6 iso 0 dist 8.65997 8.03442 7.22396 6.43754 6.95902 7.1372 5.0317 6.91318 9.43618 4.09934 numMergedOcc 0
36 mol 227 unq 7 iso 0 dist 7.56888 8.03442 6.10296 6.43754 11.004 7.1372 5.0317 11.2661 9.43618 4.09934 numMergedOcc 0
37 mol 227 unq 8 iso 0 dist 7.55216 8.03442 9.69537 6.43754 12.8864 7.1372 5.0317 12.3663 9.43618 4.09934 numMergedOcc 0
38 mol 227 unq 9 iso 0 dist 7.09863 8.38865 12.9587 9.60993 15.4174 9.20589 4.1511 10.3016 5.28771 9.08701 numMergedOcc 0
39 mol 227 unq 10 iso 0 dist 7.09863 8.38865 12.9587 13.3557 16.1617 7.89801 4.1511 10.3016 5.28771 12.0749 numMergedOcc 0
40 mol 252 unq 0 iso 0 dist 8.1148 6.11473 9.32326 4.23801 7.66365 6.57207 5.6214 13.1298 9.39658 9.43777 numMergedOcc 0
41 mol 252 unq 1 iso 0 dist 8.1148 8.47784 5.89666 4.23801 7.66365 5.2361 6.62402 10.6424 8.19529 4.21466 numMergedOcc 0
42 mol 252 unq 2 iso 0 dist 8.1148 8.47784 5.89666 4.23801 7.66365 5.2361 10.2463 11.0129 6.45396 6.19861 numMergedOcc 0
43 mol 252 unq 3 iso 0 dist 8.1148 8.47784 5.89666 13.6996 10.765 5.57515 6.62402 10.6424 8.19529 11.9287 numMergedOcc 0
44 mol 252 unq 4 iso 0 dist 8.1148 8.47784 5.89666 13.6996 10.765 5.57515 10.2463 11.0129 6.45396 7.84988 numMergedOcc 0
45 mol 252 unq 5 iso 0 dist 8.1148 8.47784 5.89666 15.4395 13.5038 8.28694 6.62402 10.6424 8.19529 11.5083 numMergedOcc 0
46 mol 252 unq 6 iso 0 dist 8.1148 8.47784 5.89666 15.4395 13.5038 8.28694 10.2463 11.0129 6.45396 6.38319 numMergedOcc 0
47 mol 252 unq 7 iso 0 dist 8.1715 6.11473 5.72783 4.23801 10.165 6.57207 5.6214 10.5687 9.39658 9.43777 numMergedOcc 0
48 mol 252 unq 8 iso 0 dist 8.1715 8.47784 10.672 4.23801 10.165 5.2361 6.62402 14.0636 8.19529 4.21466 numMergedOcc 0
49 mol 252 unq 9 iso 0 dist 8.1715 8.47784 10.672 4.23801 10.165 5.2361 10.2463 15.7955 6.45396 6.19861 numMergedOcc 0
50 mol 252 unq 10 iso 0 dist 8.1715 8.47784 10.672 13.6996 15.0802 5.57515 6.62402 14.0636 8.19529 11.9287 numMergedOcc 0
51 mol 252 unq 11 iso 0 dist 8.1715 8.47784 10.672 13.6996 15.0802 5.57515 10.2463 15.7955 6.45396 7.84988 numMergedOcc 0
52 mol 252 unq 12 iso 0 dist 8.1715 8.47784 10.672 15.4395 18.7608 8.28694 6.62402 14.0636 8.19529 11.5083 numMergedOcc 0
53 mol 252 unq 13 iso 0 dist 8.1715 8.47784 10.672 15.4395 18.7608 8.28694 10.2463 15.7955 6.45396 6.38319 numMergedOcc 0
54 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 12.3807 21.0973 9.42738 13.2035 19.5824 7.14086 9.04569 numMergedOcc 0
