0 mol 7 unq 0 iso 0 dist 5.83658 10.826 9.60499 14.8548 11.5784 9.85726 22.6525 19.2577 14.1047 8.85869 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22805 6.96396 7.10621 9.90117 6.09254 7.21217 15.279 12.3221 14.06 7.5298 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.22805 6.96396 7.10621 9.90117 6.09254 7.21217 11.7275 11.9671 5.77391 8.94874 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.04834 6.05535 4.7319 14.0448 5.59769 8.47315 9.19152 6.28033 5.40044 7.72142 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 12.7747 5.38671 8.33883 17.6632 11.8413 11.958 8.46837 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 17.6549 9.96073 5.83937 18.0361 12.177 6.96065 4.96897 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 5.39171 5.2774 6.89722 6.13631 8.124 13.4367 7.84699 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 5.39171 5.2774 6.89722 12.6081 11.801 9.64124 7.53504 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.30194 10.5627 6.19304 9.27355 5.44275 7.26679 6.13631 8.124 13.4367 8.40844 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 6.30194 10.5627 6.19304 9.27355 5.44275 7.26679 16.1129 10.9082 10.3774 7.02351 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 6.30194 10.5627 6.19304 9.27355 5.44275 7.26679 12.6081 11.801 9.64124 8.66342 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 5.79954 14.1415 9.38498 12.802 8.31041 9.68526 15.8227 10.1112 5.33851 8.40844 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 5.79954 14.1415 9.38498 12.802 8.31041 9.68526 12.5841 11.0108 13.6586 7.02351 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 5.79954 14.1415 9.38498 12.802 8.31041 9.68526 20.6164 16.3948 16.8585 8.66342 numMergedOcc 0
14 mol 73 unq 8 iso 0 dist 5.79954 14.1415 9.38498 16.8277 11.7069 9.72442 15.8227 10.1112 5.33851 6.99156 numMergedOcc 0
15 mol 73 unq 9 iso 0 dist 5.79954 14.1415 9.38498 16.8277 11.7069 9.72442 20.6164 16.3948 16.8585 7.21285 numMergedOcc 0
16 mol 73 unq 10 iso 0 dist 5.79954 12.8388 9.96396 15.5908 10.4716 6.89722 15.8227 10.1112 13.4367 7.84699 numMergedOcc 0
17 mol 73 unq 11 iso 0 dist 5.79954 12.8388 9.96396 15.5908 10.4716 6.89722 20.6164 16.3948 9.64124 7.53504 numMergedOcc 0
18 mol 73 unq 12 iso 0 dist 5.79954 12.8388 9.96396 12.802 8.31041 7.26679 15.8227 10.1112 13.4367 8.40844 numMergedOcc 0
19 mol 73 unq 13 iso 0 dist 5.79954 12.8388 9.96396 12.802 8.31041 7.26679 12.5841 11.0108 10.3774 7.02351 numMergedOcc 0
20 mol 73 unq 14 iso 0 dist 5.79954 12.8388 9.96396 12.802 8.31041 7.26679 20.6164 16.3948 9.64124 8.66342 numMergedOcc 0
21 mol 73 unq 15 iso 0 dist 5.79954 9.65653 9.75218 12.802 8.31041 9.30776 15.8227 10.1112 15.7164 8.40844 numMergedOcc 0
22 mol 73 unq 16 iso 0 dist 5.79954 9.65653 9.75218 12.802 8.31041 9.30776 12.5841 11.0108 4.15333 7.02351 numMergedOcc 0
23 mol 73 unq 17 iso 0 dist 5.79954 9.65653 9.75218 12.802 8.31041 9.30776 20.6164 16.3948 16.0481 8.66342 numMergedOcc 0
24 mol 73 unq 18 iso 0 dist 7.01889 7.9573 9.38498 10.4858 8.31041 9.68526 11.8814 10.1112 5.33851 8.40844 numMergedOcc 0
25 mol 73 unq 19 iso 0 dist 7.01889 7.9573 9.38498 10.4858 8.31041 9.68526 10.351 11.0108 13.6586 7.02351 numMergedOcc 0
26 mol 73 unq 20 iso 0 dist 7.01889 7.9573 9.38498 10.4858 8.31041 9.68526 19.0432 16.3948 16.8585 8.66342 numMergedOcc 0
27 mol 73 unq 21 iso 0 dist 7.01889 7.9573 9.38498 13.3367 11.7069 9.72442 11.8814 10.1112 5.33851 6.99156 numMergedOcc 0
28 mol 73 unq 22 iso 0 dist 7.01889 7.9573 9.38498 13.3367 11.7069 9.72442 19.0432 16.3948 16.8585 7.21285 numMergedOcc 0
29 mol 73 unq 23 iso 0 dist 7.01889 15.0744 9.96396 14.6774 10.4716 6.89722 11.8814 10.1112 13.4367 7.84699 numMergedOcc 0
30 mol 73 unq 24 iso 0 dist 7.01889 15.0744 9.96396 14.6774 10.4716 6.89722 19.0432 16.3948 9.64124 7.53504 numMergedOcc 0
31 mol 73 unq 25 iso 0 dist 7.01889 15.0744 9.96396 10.4858 8.31041 7.26679 11.8814 10.1112 13.4367 8.40844 numMergedOcc 0
32 mol 73 unq 26 iso 0 dist 7.01889 15.0744 9.96396 10.4858 8.31041 7.26679 10.351 11.0108 10.3774 7.02351 numMergedOcc 0
33 mol 73 unq 27 iso 0 dist 7.01889 15.0744 9.96396 10.4858 8.31041 7.26679 19.0432 16.3948 9.64124 8.66342 numMergedOcc 0
34 mol 73 unq 28 iso 0 dist 7.01889 8.11922 9.75218 10.4858 8.31041 9.30776 11.8814 10.1112 15.7164 8.40844 numMergedOcc 0
35 mol 73 unq 29 iso 0 dist 7.01889 8.11922 9.75218 10.4858 8.31041 9.30776 10.351 11.0108 4.15333 7.02351 numMergedOcc 0
36 mol 73 unq 30 iso 0 dist 7.01889 8.11922 9.75218 10.4858 8.31041 9.30776 19.0432 16.3948 16.0481 8.66342 numMergedOcc 0
37 mol 114 unq 0 iso 0 dist 9.24515 5.24877 7.5732 5.31281 7.18757 8.42445 7.22809 11.8382 9.52181 8.592 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 7.86207 4.90657 9.8711 11.9931 6.21273 5.1021 8.58709 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 7.04127 4.55824 6.61986 6.6537 6.46679 9.75313 9.80029 10.6043 13.1803 7.46044 numMergedOcc 0
40 mol 230 unq 0 iso 0 dist 8.33847 7.37154 6.7547 13.8632 7.07028 8.43766 11.8106 5.62804 6.33989 5.00735 numMergedOcc 0
41 mol 230 unq 1 iso 0 dist 8.33847 7.37154 6.7547 13.8632 7.07028 8.43766 11.3171 10.8539 6.63414 9.27643 numMergedOcc 0
42 mol 230 unq 2 iso 0 dist 9.12305 9.0274 6.7547 15.0878 7.07028 8.43766 11.2815 5.62804 6.33989 5.00735 numMergedOcc 0
43 mol 230 unq 3 iso 0 dist 9.12305 9.0274 6.7547 15.0878 7.07028 8.43766 15.0962 10.8539 6.63414 9.27643 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 9.27989 12.1502 6.16342 10.2234 5.29737 6.37342 9.44182 6.83046 4.77446 4.21935 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 12.9422 9.22664 8.58088 7.88062 8.21585 5.13233 6.59521 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 8.81059 9.78068 6.42289 7.70189 9.22664 8.58088 5.79358 8.21585 5.13233 6.59521 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 6.76656 5.71237 6.77279 9.43627 13.8844 12.4673 9.16791 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 6.76656 5.71237 9.58006 9.43627 13.8844 16.6792 9.16791 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 6.21831 6.11218 9.10818 9.07452 6.57235 7.80446 14.9337 13.261 10.374 8.17922 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 6.21831 6.11218 9.10818 7.21004 4.97216 9.91395 6.33183 8.78883 7.48637 5.68643 numMergedOcc 0
51 mol 274 unq 2 iso 0 dist 8.3291 6.98398 9.10818 6.44266 6.57235 7.80446 6.26074 13.261 10.374 8.17922 numMergedOcc 0
52 mol 274 unq 3 iso 0 dist 8.3291 6.98398 9.10818 8.75703 4.97216 9.91395 9.34663 8.78883 7.48637 5.68643 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 8.35794 5.77904 9.7748 12.4458 13.2927 6.90434 21.6154 20.3589 16.2915 9.42812 numMergedOcc 0
54 mol 280 unq 0 iso 0 dist 8.27417 7.26698 6.0664 7.3304 4.95798 8.85762 10.5216 8.80588 5.80223 9.9227 numMergedOcc 0
55 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 13.2763 9.63727 5.67266 12.0804 12.7745 4.89059 6.40686 numMergedOcc 0
56 mol 282 unq 1 iso 0 dist 8.58671 8.13794 8.04483 12.2558 9.60898 5.80981 12.0804 12.7745 4.89059 7.14443 numMergedOcc 0
57 mol 282 unq 2 iso 0 dist 6.84554 9.67023 8.76532 7.93511 4.58403 5.67266 8.96033 10.161 4.89059 6.40686 numMergedOcc 0
58 mol 282 unq 3 iso 0 dist 6.84554 9.67023 8.76532 13.5529 10.5698 5.80981 8.96033 10.161 4.89059 7.14443 numMergedOcc 0
59 mol 282 unq 4 iso 0 dist 9.51581 9.67023 6.33524 7.93511 5.04235 5.67266 8.96033 9.83042 4.89059 6.40686 numMergedOcc 0
60 mol 282 unq 5 iso 0 dist 9.51581 9.67023 6.33524 13.5529 8.37652 5.80981 8.96033 9.83042 4.89059 7.14443 numMergedOcc 0
