0 mol 43 unq 0 iso 0 dist 8.58709 7.67459 8.75469 9.69698 9.74445 8.03754 15.7652 10.323 14.0204 8.80331 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.58709 7.67459 8.75469 9.69698 9.74445 8.03754 15.8918 14.445 13.1056 6.20293 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 7.53564 7.62469 6.44784 5.90113 9.74445 10.0804 9.17086 10.323 5.39546 8.80331 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 7.53564 7.62469 6.44784 5.90113 9.74445 10.0804 10.615 14.445 12.2906 6.20293 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.10175 6.29755 12.1689 5.65405 5.59773 9.89662 14.4402 13.9079 17.0633 9.5589 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.10175 6.29755 12.1689 5.65405 5.59773 9.89662 10.5929 10.4238 14.1109 6.83299 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 6.10175 6.29755 12.1689 5.65405 5.59773 9.89662 6.54183 10.1356 5.58127 8.10861 numMergedOcc 0
7 mol 54 unq 3 iso 0 dist 6.10175 7.4038 11.8364 5.65405 5.59773 11.7963 14.4402 13.9079 20.6345 9.5589 numMergedOcc 0
8 mol 54 unq 4 iso 0 dist 6.10175 7.4038 11.8364 5.65405 5.59773 11.7963 10.5929 10.4238 17.5177 6.83299 numMergedOcc 0
9 mol 54 unq 5 iso 0 dist 6.10175 7.4038 11.8364 5.65405 5.59773 11.7963 6.54183 10.1356 5.54544 8.10861 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 13.6586 9.68526 14.8693 11.0108 8.31041 12.8453 9.38498 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 10.3774 7.26679 7.23812 11.0108 8.31041 12.8453 9.96396 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 7.02351 6.7939 5.4653 10.3774 7.26679 7.23812 10.9082 5.44275 9.59988 6.19304 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 7.02351 6.7939 5.4653 10.3774 7.26679 7.23812 8.16299 11.2674 7.80518 8.70481 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 7.02351 6.7939 5.4653 4.15333 9.30776 10.5158 11.0108 8.31041 12.8453 9.75218 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 7.02351 6.85356 4.63063 13.6586 9.68526 11.7079 11.0108 8.31041 12.5789 9.38498 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 7.02351 6.85356 4.63063 10.3774 7.26679 10.396 11.0108 8.31041 12.5789 9.96396 numMergedOcc 0
17 mol 73 unq 7 iso 0 dist 7.02351 6.85356 4.63063 10.3774 7.26679 10.396 10.9082 5.44275 10.019 6.19304 numMergedOcc 0
18 mol 73 unq 8 iso 0 dist 7.02351 6.85356 4.63063 10.3774 7.26679 10.396 8.16299 11.2674 11.6012 8.70481 numMergedOcc 0
19 mol 73 unq 9 iso 0 dist 7.02351 6.85356 4.63063 4.15333 9.30776 10.4252 11.0108 8.31041 12.5789 9.75218 numMergedOcc 0
20 mol 73 unq 10 iso 0 dist 7.53504 5.68894 7.92924 9.64124 6.89722 7.23812 16.3948 10.4716 12.8453 9.96396 numMergedOcc 0
21 mol 73 unq 11 iso 0 dist 7.53504 5.68894 7.92924 9.64124 6.89722 7.23812 11.801 5.2774 9.59988 6.19304 numMergedOcc 0
22 mol 73 unq 12 iso 0 dist 7.53504 5.68894 7.92924 9.64124 6.89722 7.23812 12.2721 13.9156 7.80518 8.70481 numMergedOcc 0
23 mol 73 unq 13 iso 0 dist 7.53504 7.32265 8.30433 9.64124 6.89722 10.396 16.3948 10.4716 12.5789 9.96396 numMergedOcc 0
24 mol 73 unq 14 iso 0 dist 7.53504 7.32265 8.30433 9.64124 6.89722 10.396 11.801 5.2774 10.019 6.19304 numMergedOcc 0
25 mol 73 unq 15 iso 0 dist 7.53504 7.32265 8.30433 9.64124 6.89722 10.396 12.2721 13.9156 11.6012 8.70481 numMergedOcc 0
26 mol 73 unq 16 iso 0 dist 8.66342 5.68894 5.4653 16.8585 9.68526 14.8693 16.3948 8.31041 12.8453 9.38498 numMergedOcc 0
27 mol 73 unq 17 iso 0 dist 8.66342 5.68894 5.4653 9.64124 7.26679 7.23812 16.3948 8.31041 12.8453 9.96396 numMergedOcc 0
28 mol 73 unq 18 iso 0 dist 8.66342 5.68894 5.4653 9.64124 7.26679 7.23812 11.801 5.44275 9.59988 6.19304 numMergedOcc 0
29 mol 73 unq 19 iso 0 dist 8.66342 5.68894 5.4653 9.64124 7.26679 7.23812 12.2721 11.2674 7.80518 8.70481 numMergedOcc 0
30 mol 73 unq 20 iso 0 dist 8.66342 5.68894 5.4653 16.0481 9.30776 10.5158 16.3948 8.31041 12.8453 9.75218 numMergedOcc 0
31 mol 73 unq 21 iso 0 dist 8.66342 7.32265 4.63063 16.8585 9.68526 11.7079 16.3948 8.31041 12.5789 9.38498 numMergedOcc 0
32 mol 73 unq 22 iso 0 dist 8.66342 7.32265 4.63063 9.64124 7.26679 10.396 16.3948 8.31041 12.5789 9.96396 numMergedOcc 0
33 mol 73 unq 23 iso 0 dist 8.66342 7.32265 4.63063 9.64124 7.26679 10.396 11.801 5.44275 10.019 6.19304 numMergedOcc 0
34 mol 73 unq 24 iso 0 dist 8.66342 7.32265 4.63063 9.64124 7.26679 10.396 12.2721 11.2674 11.6012 8.70481 numMergedOcc 0
35 mol 73 unq 25 iso 0 dist 8.66342 7.32265 4.63063 16.0481 9.30776 10.4252 16.3948 8.31041 12.5789 9.75218 numMergedOcc 0
36 mol 73 unq 26 iso 0 dist 7.21285 5.68894 7.09483 16.8585 9.72442 14.8693 16.3948 11.7069 12.8453 9.38498 numMergedOcc 0
37 mol 73 unq 27 iso 0 dist 7.21285 7.32265 4.68175 16.8585 9.72442 11.7079 16.3948 11.7069 12.5789 9.38498 numMergedOcc 0
38 mol 101 unq 0 iso 0 dist 5.51185 7.11476 4.84084 9.11989 8.77773 13.2895 8.97911 5.16122 9.80321 6.57035 numMergedOcc 0
39 mol 114 unq 0 iso 0 dist 8.592 8.75093 5.53478 9.52181 8.42445 10.8086 11.8382 7.18757 6.64673 7.5732 numMergedOcc 0
40 mol 126 unq 0 iso 0 dist 9.40608 9.63161 5.18899 5.50061 9.54928 10.2273 6.24392 7.01529 4.7848 6.06638 numMergedOcc 0
41 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 8.68855 7.57458 10.1001 7.15087 13.1936 9.15453 9.2313 numMergedOcc 0
42 mol 142 unq 1 iso 0 dist 9.5355 7.21779 7.46089 8.68855 7.57458 10.1001 10.5719 12.288 9.78965 7.73169 numMergedOcc 0
43 mol 142 unq 2 iso 0 dist 9.5355 7.21779 7.46089 8.68855 7.57458 10.1001 15.3413 14.2067 14.227 8.96657 numMergedOcc 0
44 mol 152 unq 0 iso 0 dist 8.84852 9.27341 7.53439 9.50073 9.10619 8.41774 15.3848 9.66339 13.1435 8.56324 numMergedOcc 0
45 mol 152 unq 1 iso 0 dist 8.84852 9.27341 7.53439 9.50073 9.10619 8.41774 16.0753 13.9994 13.793 6.70283 numMergedOcc 0
46 mol 152 unq 2 iso 0 dist 8.84852 9.27341 7.53439 9.50073 9.10619 8.41774 16.0158 14.2552 11.2124 7.16148 numMergedOcc 0
47 mol 175 unq 0 iso 0 dist 8.39634 8.09309 10.2448 9.72213 9.00898 11.6161 13.5463 5.96451 13.6066 9.29945 numMergedOcc 0
48 mol 220 unq 0 iso 0 dist 4.3362 6.89587 5.7733 9.20027 7.31105 12.2813 17.1012 14.6296 19.9954 9.23153 numMergedOcc 0
49 mol 220 unq 1 iso 0 dist 4.3362 6.89587 5.7733 9.20027 7.31105 12.2813 13.6374 9.52692 12.6261 8.24498 numMergedOcc 0
50 mol 222 unq 0 iso 0 dist 7.10689 7.99609 9.50337 5.01062 8.7347 7.73634 8.7419 8.81265 4.81992 6.00706 numMergedOcc 0
51 mol 222 unq 1 iso 0 dist 7.10689 7.99609 9.50337 5.01062 8.7347 7.73634 8.5834 4.28891 9.69122 7.54212 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 7.46044 5.07376 4.49347 13.1803 9.75313 12.6229 10.6043 6.46679 8.00193 6.61986 numMergedOcc 0
53 mol 224 unq 1 iso 0 dist 9.06201 8.96263 9.9943 11.9904 9.34636 7.49783 10.9817 5.63485 12.8561 8.95269 numMergedOcc 0
54 mol 224 unq 2 iso 0 dist 9.06201 8.96263 9.9943 13.0574 9.79616 11.5265 10.9817 5.63485 12.8561 6.57273 numMergedOcc 0
55 mol 224 unq 3 iso 0 dist 9.06201 8.96263 9.9943 13.0574 9.79616 11.5265 15.8289 9.36962 15.8606 6.60589 numMergedOcc 0
56 mol 224 unq 4 iso 0 dist 9.06201 7.35677 7.83342 11.9904 9.34636 10.6915 10.9817 5.63485 12.414 8.95269 numMergedOcc 0
57 mol 224 unq 5 iso 0 dist 9.06201 7.35677 7.83342 13.0574 9.79616 13.7347 10.9817 5.63485 12.414 6.57273 numMergedOcc 0
58 mol 224 unq 6 iso 0 dist 9.06201 7.35677 7.83342 13.0574 9.79616 13.7347 15.8289 9.36962 16.2209 6.60589 numMergedOcc 0
59 mol 230 unq 0 iso 0 dist 5.00735 9.32781 4.85368 6.33989 8.43766 10.0551 5.62804 7.07028 9.33469 6.7547 numMergedOcc 0
60 mol 230 unq 1 iso 0 dist 9.27643 7.66323 4.85368 6.63414 8.43766 10.0551 10.8539 7.07028 9.33469 6.7547 numMergedOcc 0
61 mol 248 unq 0 iso 0 dist 7.83878 7.51278 4.13513 5.68749 7.66519 8.98788 12.7933 6.42363 9.01779 9.56569 numMergedOcc 0
62 mol 258 unq 0 iso 0 dist 6.59521 8.73425 5.27718 5.13233 8.58088 9.04358 10.7821 10.221 8.81588 6.60405 numMergedOcc 0
63 mol 258 unq 1 iso 0 dist 6.59521 8.73425 5.27718 5.13233 8.58088 9.04358 8.21585 9.22664 5.90131 6.42289 numMergedOcc 0
64 mol 258 unq 2 iso 0 dist 6.59521 9.65711 9.46467 5.13233 8.58088 10.0455 10.7821 10.221 11.1234 6.60405 numMergedOcc 0
65 mol 258 unq 3 iso 0 dist 6.59521 9.65711 9.46467 5.13233 8.58088 10.0455 8.21585 9.22664 4.51422 6.42289 numMergedOcc 0
66 mol 277 unq 0 iso 0 dist 9.42812 6.40125 10.3278 16.2915 6.90434 16.0291 20.3589 13.2927 17.9778 9.7748 numMergedOcc 0
67 mol 280 unq 0 iso 0 dist 9.9227 6.38295 11.4101 5.80223 8.85762 7.96485 8.80588 4.95798 8.26589 6.0664 numMergedOcc 0
