0 mol 5 unq 0 iso 0 dist 8.97274 6.86923 3.14155 10.7591 7.56229 5.69239 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.5815 4.60775 3.14155 3.91535 7.56229 5.69239 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.13565 9.11745 3.08756 3.90342 8.67216 9.63882 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 7.13565 4.62145 3.30447 3.90342 8.67216 6.87277 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 7.84077 7.97002 3.60218 3.63113 4.64187 4.78873 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.8645 8.52681 4.88527 10.4499 12.509 8.96151 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.8645 8.52681 4.88527 6.44604 7.78689 4.22002 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 8.8645 9.98769 5.56357 6.44604 7.78689 8.10774 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 7.34325 7.90416 5.22869 9.165 11.2538 9.05737 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 6.42037 7.90416 4.48872 9.165 11.8252 9.05737 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 8.3491 9.40291 5.43784 6.4561 7.70645 8.14245 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 8.3491 7.94814 4.57947 6.4561 7.70645 4.17933 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 8.3491 9.55632 4.60843 6.4561 7.70645 5.54893 numMergedOcc 0
13 mol 62 unq 0 iso 0 dist 6.27293 7.01397 5.87787 7.90686 9.7316 4.46067 numMergedOcc 0
14 mol 63 unq 0 iso 0 dist 9.06612 6.42443 6.41526 12.6017 10.3553 9.13228 numMergedOcc 0
15 mol 63 unq 1 iso 0 dist 6.04797 6.42443 9.15959 12.6017 17.5417 9.13228 numMergedOcc 0
16 mol 63 unq 2 iso 0 dist 8.88058 6.42443 14.8894 12.6017 21.0983 9.13228 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 8.4416 6.64921 4.69555 4.15002 7.92114 4.15789 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 8.4416 6.64921 4.69555 9.36535 8.8955 4.808 numMergedOcc 0
19 mol 79 unq 2 iso 0 dist 7.79538 6.64921 6.49084 4.15002 8.18375 4.15789 numMergedOcc 0
20 mol 79 unq 3 iso 0 dist 7.79538 6.64921 6.49084 9.36535 10.6844 4.808 numMergedOcc 0
21 mol 83 unq 0 iso 0 dist 7.93119 5.13041 8.9239 4.48523 11.0219 7.50925 numMergedOcc 0
22 mol 83 unq 1 iso 0 dist 5.25361 5.13041 3.62753 4.48523 5.35861 7.50925 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 7.95751 5.28634 5.83839 6.1672 9.5889 4.88514 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 5.39002 5.28634 3.7404 6.1672 8.03978 4.88514 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 8.0732 6.42361 5.19008 3.7035 7.7464 3.82583 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 8.0732 6.42361 5.19008 3.20279 10.735 8.25768 numMergedOcc 0
27 mol 147 unq 2 iso 0 dist 8.0732 7.4121 5.27556 3.7035 7.7464 5.19116 numMergedOcc 0
28 mol 147 unq 3 iso 0 dist 8.0732 7.4121 5.27556 3.20279 10.735 8.71702 numMergedOcc 0
29 mol 147 unq 4 iso 0 dist 5.93918 6.42361 3.7729 3.7035 5.12272 3.82583 numMergedOcc 0
30 mol 147 unq 5 iso 0 dist 5.93918 6.42361 3.7729 3.20279 8.7121 8.25768 numMergedOcc 0
31 mol 147 unq 6 iso 0 dist 5.93918 7.4121 6.34165 3.7035 5.12272 5.19116 numMergedOcc 0
32 mol 147 unq 7 iso 0 dist 5.93918 7.4121 6.34165 3.20279 8.7121 8.71702 numMergedOcc 0
33 mol 158 unq 0 iso 0 dist 7.68074 9.98554 13.5303 7.59334 14.7542 7.97228 numMergedOcc 0
34 mol 158 unq 1 iso 0 dist 9.1854 9.98554 5.09517 7.59334 10.6196 7.97228 numMergedOcc 0
35 mol 168 unq 0 iso 0 dist 8.18217 5.64732 6.06538 3.60864 7.0961 5.86767 numMergedOcc 0
36 mol 168 unq 1 iso 0 dist 8.18217 5.52214 10.919 3.60864 7.0961 5.28353 numMergedOcc 0
37 mol 168 unq 2 iso 0 dist 5.51167 5.64732 9.99868 3.60864 8.21227 5.86767 numMergedOcc 0
38 mol 168 unq 3 iso 0 dist 5.51167 5.52214 6.91388 3.60864 8.21227 5.28353 numMergedOcc 0
39 mol 169 unq 0 iso 0 dist 7.06772 6.27378 3.18152 10.1931 7.65903 5.10589 numMergedOcc 0
40 mol 169 unq 1 iso 0 dist 7.06772 6.27378 3.18152 10.5136 5.97653 4.63336 numMergedOcc 0
41 mol 169 unq 2 iso 0 dist 7.06772 6.27378 3.18152 10.212 7.75523 6.10715 numMergedOcc 0
42 mol 225 unq 0 iso 0 dist 8.69052 6.35772 5.31124 11.0751 10.6109 9.54529 numMergedOcc 0
43 mol 266 unq 0 iso 0 dist 8.9221 6.39822 3.14784 10.1418 7.72861 7.8598 numMergedOcc 0
44 mol 266 unq 1 iso 0 dist 8.9221 6.39822 3.14784 7.63149 8.20376 8.25286 numMergedOcc 0
45 mol 266 unq 2 iso 0 dist 8.9221 5.36518 5.95721 10.1418 7.72861 7.80711 numMergedOcc 0
46 mol 266 unq 3 iso 0 dist 8.9221 5.36518 5.95721 7.63149 8.20376 9.9965 numMergedOcc 0
47 mol 266 unq 4 iso 0 dist 9.51145 9.90506 3.68488 4.39553 8.20376 6.96692 numMergedOcc 0
48 mol 266 unq 5 iso 0 dist 9.51145 8.61077 3.14784 10.3155 7.72861 7.8598 numMergedOcc 0
49 mol 266 unq 6 iso 0 dist 9.51145 8.61077 3.14784 4.39553 8.20376 8.25286 numMergedOcc 0
50 mol 266 unq 7 iso 0 dist 9.51145 9.11585 5.95721 10.3155 7.72861 7.80711 numMergedOcc 0
51 mol 266 unq 8 iso 0 dist 9.51145 9.11585 5.95721 4.39553 8.20376 9.9965 numMergedOcc 0
52 mol 277 unq 0 iso 0 dist 6.42951 9.07744 10.5214 9.21484 5.13533 7.98956 numMergedOcc 0
53 mol 277 unq 1 iso 0 dist 6.42951 9.07744 10.5214 10.3506 8.0969 5.86185 numMergedOcc 0
54 mol 277 unq 2 iso 0 dist 6.42951 9.07744 10.5214 10.4629 14.9526 6.79748 numMergedOcc 0
55 mol 287 unq 0 iso 0 dist 5.83857 5.44942 5.96434 5.1451 6.22311 6.24487 numMergedOcc 0
56 mol 287 unq 1 iso 0 dist 5.32839 7.82157 5.96434 5.15725 6.22311 6.24487 numMergedOcc 0
57 mol 288 unq 0 iso 0 dist 5.83857 5.44942 5.96434 5.1451 6.22311 6.24487 numMergedOcc 0
58 mol 288 unq 1 iso 0 dist 5.32839 7.82157 5.96434 5.15725 6.22311 6.24487 numMergedOcc 0
59 mol 289 unq 0 iso 0 dist 5.83857 5.44942 5.96434 5.1451 6.22311 6.24487 numMergedOcc 0
60 mol 289 unq 1 iso 0 dist 5.32839 7.82157 5.96434 5.15725 6.22311 6.24487 numMergedOcc 0
