0 mol 5 unq 0 iso 0 dist 6.86923 10.7591 5.69239 8.97274 3.14155 7.56229 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.95226 10.9809 5.69239 12.6411 3.14155 7.56229 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 4.60775 3.91535 5.69239 7.5815 3.14155 7.56229 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.64744 6.94674 5.69239 10.8072 3.14155 7.56229 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.56866 6.62108 8.68577 13.7673 10.4477 8.87945 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 9.22067 6.62108 9.70883 13.7673 9.22937 8.87945 numMergedOcc 0
6 mol 5 unq 6 iso 0 dist 8.49537 14.7887 9.70883 13.3054 9.22937 8.87945 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 5.40468 7.16699 6.83186 15.6489 12.0683 9.89425 numMergedOcc 0
8 mol 28 unq 0 iso 0 dist 5.42412 9.64948 8.53424 15.209 16.4255 9.2146 numMergedOcc 0
9 mol 28 unq 1 iso 0 dist 8.09862 9.64948 7.08766 15.209 16.0765 9.2146 numMergedOcc 0
10 mol 28 unq 2 iso 0 dist 8.97167 10.1805 7.08766 18.206 16.0765 9.2146 numMergedOcc 0
11 mol 28 unq 3 iso 0 dist 8.89114 9.64948 4.82199 15.209 13.6412 9.2146 numMergedOcc 0
12 mol 28 unq 4 iso 0 dist 8.8182 10.1805 4.82199 18.206 13.6412 9.2146 numMergedOcc 0
13 mol 29 unq 0 iso 0 dist 9.03639 9.09595 9.2087 12.9024 8.80559 5.99655 numMergedOcc 0
14 mol 30 unq 0 iso 0 dist 9.11745 3.90342 9.63882 7.13565 3.08756 8.67216 numMergedOcc 0
15 mol 30 unq 1 iso 0 dist 4.62145 3.90342 6.87277 7.13565 3.30447 8.67216 numMergedOcc 0
16 mol 33 unq 0 iso 0 dist 7.97002 3.63113 4.78873 7.84077 3.60218 4.64187 numMergedOcc 0
17 mol 48 unq 0 iso 0 dist 9.55284 8.48678 6.5241 12.7934 9.94951 7.78689 numMergedOcc 0
18 mol 48 unq 1 iso 0 dist 7.33788 3.85292 4.22002 10.4843 4.88527 7.78689 numMergedOcc 0
19 mol 48 unq 2 iso 0 dist 9.74351 3.85292 8.10774 10.4843 5.56357 7.78689 numMergedOcc 0
20 mol 48 unq 3 iso 0 dist 7.36877 3.85292 6.5241 10.4843 9.94951 7.78689 numMergedOcc 0
21 mol 48 unq 4 iso 0 dist 8.52681 6.44604 4.22002 8.8645 4.88527 7.78689 numMergedOcc 0
22 mol 48 unq 5 iso 0 dist 9.98769 6.44604 8.10774 8.8645 5.56357 7.78689 numMergedOcc 0
23 mol 48 unq 6 iso 0 dist 9.21776 3.72746 8.14245 10.0593 5.43784 7.70645 numMergedOcc 0
24 mol 48 unq 7 iso 0 dist 6.89752 3.72746 6.36817 10.0593 9.7018 7.70645 numMergedOcc 0
25 mol 48 unq 8 iso 0 dist 6.85843 3.72746 4.17933 10.0593 4.57947 7.70645 numMergedOcc 0
26 mol 48 unq 9 iso 0 dist 9.40291 6.4561 8.14245 8.3491 5.43784 7.70645 numMergedOcc 0
27 mol 48 unq 10 iso 0 dist 7.94814 6.4561 4.17933 8.3491 4.57947 7.70645 numMergedOcc 0
28 mol 48 unq 11 iso 0 dist 9.55632 6.4561 5.54893 8.3491 4.60843 7.70645 numMergedOcc 0
29 mol 62 unq 0 iso 0 dist 7.01397 7.90686 4.46067 12.077 5.98227 8.93807 numMergedOcc 0
30 mol 63 unq 0 iso 0 dist 6.42443 12.6017 9.13228 10.9406 10.1907 8.78414 numMergedOcc 0
31 mol 76 unq 0 iso 0 dist 9.50939 8.58474 7.66068 16.1719 9.50354 9.57759 numMergedOcc 0
32 mol 78 unq 0 iso 0 dist 7.50229 7.86077 8.61143 11.2839 4.315 9.38837 numMergedOcc 0
33 mol 78 unq 1 iso 0 dist 7.50229 7.86077 8.61143 10.4541 9.00868 9.80913 numMergedOcc 0
34 mol 79 unq 0 iso 0 dist 6.64921 4.15002 4.15789 8.4416 4.69555 7.92114 numMergedOcc 0
35 mol 79 unq 1 iso 0 dist 6.64921 4.15002 4.15789 7.79538 6.49084 8.18375 numMergedOcc 0
36 mol 83 unq 0 iso 0 dist 5.13041 4.48523 7.50925 5.25361 3.62753 5.35861 numMergedOcc 0
37 mol 90 unq 0 iso 0 dist 7.01987 6.65219 5.24346 12.0429 5.4118 7.62463 numMergedOcc 0
38 mol 101 unq 0 iso 0 dist 8.2549 6.43467 8.19144 12.3632 7.5541 9.33112 numMergedOcc 0
39 mol 143 unq 0 iso 0 dist 6.38786 3.66518 4.3855 9.78214 5.94217 6.60366 numMergedOcc 0
40 mol 147 unq 0 iso 0 dist 6.42361 3.7035 3.82583 8.0732 5.19008 7.7464 numMergedOcc 0
41 mol 147 unq 1 iso 0 dist 6.42361 3.7035 3.82583 5.93918 3.7729 5.12272 numMergedOcc 0
42 mol 147 unq 2 iso 0 dist 6.42361 3.20279 8.25768 5.93918 3.7729 8.7121 numMergedOcc 0
43 mol 147 unq 3 iso 0 dist 7.4121 3.7035 5.19116 8.0732 5.27556 7.7464 numMergedOcc 0
44 mol 147 unq 4 iso 0 dist 7.4121 3.7035 5.19116 5.93918 6.34165 5.12272 numMergedOcc 0
45 mol 147 unq 5 iso 0 dist 7.4121 3.20279 8.71702 5.93918 6.34165 8.7121 numMergedOcc 0
46 mol 168 unq 0 iso 0 dist 5.64732 3.60864 5.86767 8.18217 6.06538 7.0961 numMergedOcc 0
47 mol 168 unq 1 iso 0 dist 5.64732 3.60864 5.86767 5.51167 9.99868 8.21227 numMergedOcc 0
48 mol 168 unq 2 iso 0 dist 5.64732 3.60864 5.86767 9.35431 10.7133 6.53038 numMergedOcc 0
49 mol 168 unq 3 iso 0 dist 5.52214 3.60864 5.28353 8.18217 10.919 7.0961 numMergedOcc 0
50 mol 168 unq 4 iso 0 dist 5.52214 3.60864 5.28353 5.51167 6.91388 8.21227 numMergedOcc 0
51 mol 168 unq 5 iso 0 dist 5.52214 3.60864 5.28353 9.35431 6.65321 6.53038 numMergedOcc 0
52 mol 169 unq 0 iso 0 dist 6.27378 10.1931 5.10589 7.06772 3.18152 7.65903 numMergedOcc 0
53 mol 169 unq 1 iso 0 dist 6.27378 10.5136 4.63336 7.06772 3.18152 5.97653 numMergedOcc 0
54 mol 169 unq 2 iso 0 dist 6.27378 10.212 6.10715 7.06772 3.18152 7.75523 numMergedOcc 0
55 mol 220 unq 0 iso 0 dist 9.80204 9.54951 7.83056 11.2633 3.52598 6.31365 numMergedOcc 0
56 mol 254 unq 0 iso 0 dist 7.40957 9.72134 9.20109 14.0896 10.929 5.6417 numMergedOcc 0
57 mol 254 unq 1 iso 0 dist 7.40957 9.72134 9.20109 13.9988 10.706 7.42831 numMergedOcc 0
58 mol 266 unq 0 iso 0 dist 9.90506 4.39553 6.96692 9.51145 3.68488 8.20376 numMergedOcc 0
59 mol 266 unq 1 iso 0 dist 9.03341 3.94797 6.96692 10.1964 3.68488 8.20376 numMergedOcc 0
60 mol 266 unq 2 iso 0 dist 6.39822 10.1418 7.8598 8.9221 3.14784 7.72861 numMergedOcc 0
61 mol 266 unq 3 iso 0 dist 6.39822 7.63149 8.25286 8.9221 3.14784 8.20376 numMergedOcc 0
62 mol 266 unq 4 iso 0 dist 8.61077 10.3155 7.8598 9.51145 3.14784 7.72861 numMergedOcc 0
63 mol 266 unq 5 iso 0 dist 8.61077 4.39553 8.25286 9.51145 3.14784 8.20376 numMergedOcc 0
64 mol 266 unq 6 iso 0 dist 5.36518 10.1418 7.80711 8.9221 5.95721 7.72861 numMergedOcc 0
65 mol 266 unq 7 iso 0 dist 5.36518 7.63149 9.9965 8.9221 5.95721 8.20376 numMergedOcc 0
66 mol 266 unq 8 iso 0 dist 9.11585 10.3155 7.80711 9.51145 5.95721 7.72861 numMergedOcc 0
67 mol 266 unq 9 iso 0 dist 9.11585 4.39553 9.9965 9.51145 5.95721 8.20376 numMergedOcc 0
68 mol 277 unq 0 iso 0 dist 9.07744 9.21484 7.98956 6.42951 10.5214 5.13533 numMergedOcc 0
69 mol 277 unq 1 iso 0 dist 8.42892 7.73174 7.98956 11.5117 10.5214 5.13533 numMergedOcc 0
70 mol 277 unq 2 iso 0 dist 8.90967 16.883 7.98956 18.819 10.5214 5.13533 numMergedOcc 0
71 mol 287 unq 0 iso 0 dist 5.44942 5.1451 6.24487 5.83857 5.96434 6.22311 numMergedOcc 0
72 mol 287 unq 1 iso 0 dist 8.53689 7.5241 6.24487 11.0572 5.96434 6.22311 numMergedOcc 0
73 mol 287 unq 2 iso 0 dist 7.82157 5.15725 6.24487 5.32839 5.96434 6.22311 numMergedOcc 0
74 mol 288 unq 0 iso 0 dist 5.44942 5.1451 6.24487 5.83857 5.96434 6.22311 numMergedOcc 0
75 mol 288 unq 1 iso 0 dist 8.53689 7.5241 6.24487 11.0572 5.96434 6.22311 numMergedOcc 0
76 mol 288 unq 2 iso 0 dist 7.82157 5.15725 6.24487 5.32839 5.96434 6.22311 numMergedOcc 0
77 mol 289 unq 0 iso 0 dist 5.44942 5.1451 6.24487 5.83857 5.96434 6.22311 numMergedOcc 0
78 mol 289 unq 1 iso 0 dist 8.53689 7.5241 6.24487 11.0572 5.96434 6.22311 numMergedOcc 0
79 mol 289 unq 2 iso 0 dist 7.82157 5.15725 6.24487 5.32839 5.96434 6.22311 numMergedOcc 0
