0 mol 5 unq 0 iso 0 dist 8.97274 10.7591 7.56229 6.86923 3.14155 5.69239 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.5815 3.91535 7.56229 4.60775 3.14155 5.69239 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.82875 6.94628 6.77807 11.3311 8.56896 8.7908 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 9.4148 8.89273 9.2146 16.9644 16.4255 8.53424 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.4148 8.89273 9.2146 14.7676 16.0765 7.08766 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 9.4148 8.89273 9.2146 13.0428 13.6412 4.82199 numMergedOcc 0
6 mol 28 unq 3 iso 0 dist 6.87842 8.10455 9.2146 15.1706 16.4255 8.53424 numMergedOcc 0
7 mol 28 unq 4 iso 0 dist 6.87842 8.10455 9.2146 14.1709 16.0765 7.08766 numMergedOcc 0
8 mol 28 unq 5 iso 0 dist 6.87842 8.10455 9.2146 12.7139 13.6412 4.82199 numMergedOcc 0
9 mol 29 unq 0 iso 0 dist 9.78134 13.1956 5.99655 17.9644 8.80559 9.2087 numMergedOcc 0
10 mol 30 unq 0 iso 0 dist 7.13565 3.90342 8.67216 9.11745 3.08756 9.63882 numMergedOcc 0
11 mol 30 unq 1 iso 0 dist 7.13565 3.90342 8.67216 4.62145 3.30447 6.87277 numMergedOcc 0
12 mol 33 unq 0 iso 0 dist 7.84077 3.63113 4.64187 7.97002 3.60218 4.78873 numMergedOcc 0
13 mol 34 unq 0 iso 0 dist 8.3307 10.6836 6.52283 10.7497 3.41186 4.75881 numMergedOcc 0
14 mol 48 unq 0 iso 0 dist 8.8645 6.44604 7.78689 13.8065 9.26377 8.22812 numMergedOcc 0
15 mol 48 unq 1 iso 0 dist 8.8645 6.44604 7.78689 8.52681 4.88527 4.22002 numMergedOcc 0
16 mol 48 unq 2 iso 0 dist 8.8645 6.44604 7.78689 10.084 4.76279 5.77855 numMergedOcc 0
17 mol 48 unq 3 iso 0 dist 8.8645 6.44604 7.78689 9.98769 5.56357 8.10774 numMergedOcc 0
18 mol 48 unq 4 iso 0 dist 8.8645 6.44604 7.78689 10.9073 9.94951 6.5241 numMergedOcc 0
19 mol 48 unq 5 iso 0 dist 8.3491 6.4561 7.70645 9.40291 5.43784 8.14245 numMergedOcc 0
20 mol 48 unq 6 iso 0 dist 8.3491 6.4561 7.70645 10.6705 9.7018 6.36817 numMergedOcc 0
21 mol 48 unq 7 iso 0 dist 8.3491 6.4561 7.70645 13.4464 8.95384 8.0812 numMergedOcc 0
22 mol 48 unq 8 iso 0 dist 8.3491 6.4561 7.70645 7.94814 4.57947 4.17933 numMergedOcc 0
23 mol 48 unq 9 iso 0 dist 8.3491 6.4561 7.70645 9.55632 4.60843 5.54893 numMergedOcc 0
24 mol 68 unq 0 iso 0 dist 7.50377 11.7176 8.71074 13.9507 7.18877 7.7485 numMergedOcc 0
25 mol 79 unq 0 iso 0 dist 8.4416 4.15002 7.92114 6.64921 4.69555 4.15789 numMergedOcc 0
26 mol 79 unq 1 iso 0 dist 7.79538 4.15002 8.18375 6.64921 6.49084 4.15789 numMergedOcc 0
27 mol 79 unq 2 iso 0 dist 6.30814 9.13196 4.74254 13.3239 7.19532 6.20144 numMergedOcc 0
28 mol 83 unq 0 iso 0 dist 5.25361 4.48523 5.35861 5.13041 3.62753 7.50925 numMergedOcc 0
29 mol 83 unq 1 iso 0 dist 5.25361 4.48523 5.35861 8.57603 3.65203 6.96722 numMergedOcc 0
30 mol 83 unq 2 iso 0 dist 5.25361 9.79852 8.61641 8.57603 3.65203 7.61085 numMergedOcc 0
31 mol 147 unq 0 iso 0 dist 8.0732 3.7035 7.7464 6.42361 5.19008 3.82583 numMergedOcc 0
32 mol 147 unq 1 iso 0 dist 8.0732 3.7035 7.7464 7.4121 5.27556 5.19116 numMergedOcc 0
33 mol 147 unq 2 iso 0 dist 5.93918 3.7035 5.12272 6.42361 3.7729 3.82583 numMergedOcc 0
34 mol 147 unq 3 iso 0 dist 5.93918 3.7035 5.12272 7.4121 6.34165 5.19116 numMergedOcc 0
35 mol 147 unq 4 iso 0 dist 5.93918 3.20279 8.7121 6.42361 3.7729 8.25768 numMergedOcc 0
36 mol 147 unq 5 iso 0 dist 5.93918 3.20279 8.7121 7.4121 6.34165 8.71702 numMergedOcc 0
37 mol 168 unq 0 iso 0 dist 8.18217 3.60864 7.0961 5.64732 6.06538 5.86767 numMergedOcc 0
38 mol 168 unq 1 iso 0 dist 8.18217 3.60864 7.0961 5.52214 10.919 5.28353 numMergedOcc 0
39 mol 168 unq 2 iso 0 dist 5.51167 3.60864 8.21227 5.64732 9.99868 5.86767 numMergedOcc 0
40 mol 168 unq 3 iso 0 dist 5.51167 3.60864 8.21227 5.52214 6.91388 5.28353 numMergedOcc 0
41 mol 169 unq 0 iso 0 dist 7.06772 10.1931 7.65903 6.27378 3.18152 5.10589 numMergedOcc 0
42 mol 169 unq 1 iso 0 dist 7.06772 10.5136 5.97653 6.27378 3.18152 4.63336 numMergedOcc 0
43 mol 169 unq 2 iso 0 dist 7.06772 10.212 7.75523 6.27378 3.18152 6.10715 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 8.9221 10.1418 7.72861 6.39822 3.14784 7.8598 numMergedOcc 0
45 mol 266 unq 1 iso 0 dist 8.9221 10.1418 7.72861 5.36518 5.95721 7.80711 numMergedOcc 0
46 mol 266 unq 2 iso 0 dist 8.9221 7.63149 8.20376 10.3444 3.68488 6.96692 numMergedOcc 0
47 mol 266 unq 3 iso 0 dist 8.9221 7.63149 8.20376 6.39822 3.14784 8.25286 numMergedOcc 0
48 mol 266 unq 4 iso 0 dist 8.9221 7.63149 8.20376 5.36518 5.95721 9.9965 numMergedOcc 0
49 mol 266 unq 5 iso 0 dist 9.51145 10.3155 7.72861 8.61077 3.14784 7.8598 numMergedOcc 0
50 mol 266 unq 6 iso 0 dist 9.51145 10.3155 7.72861 9.11585 5.95721 7.80711 numMergedOcc 0
51 mol 266 unq 7 iso 0 dist 9.51145 4.39553 8.20376 9.90506 3.68488 6.96692 numMergedOcc 0
52 mol 266 unq 8 iso 0 dist 9.51145 4.39553 8.20376 8.61077 3.14784 8.25286 numMergedOcc 0
53 mol 266 unq 9 iso 0 dist 9.51145 4.39553 8.20376 9.11585 5.95721 9.9965 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 6.42951 9.21484 5.13533 9.07744 10.5214 7.98956 numMergedOcc 0
55 mol 287 unq 0 iso 0 dist 8.43856 9.67218 6.22311 9.67507 5.96434 6.24487 numMergedOcc 0
56 mol 287 unq 1 iso 0 dist 5.83857 5.1451 6.22311 5.44942 5.96434 6.24487 numMergedOcc 0
57 mol 287 unq 2 iso 0 dist 5.32839 5.15725 6.22311 7.82157 5.96434 6.24487 numMergedOcc 0
58 mol 288 unq 0 iso 0 dist 8.43856 9.67218 6.22311 9.67507 5.96434 6.24487 numMergedOcc 0
59 mol 288 unq 1 iso 0 dist 5.83857 5.1451 6.22311 5.44942 5.96434 6.24487 numMergedOcc 0
60 mol 288 unq 2 iso 0 dist 5.32839 5.15725 6.22311 7.82157 5.96434 6.24487 numMergedOcc 0
61 mol 289 unq 0 iso 0 dist 8.43856 9.67218 6.22311 9.67507 5.96434 6.24487 numMergedOcc 0
62 mol 289 unq 1 iso 0 dist 5.83857 5.1451 6.22311 5.44942 5.96434 6.24487 numMergedOcc 0
63 mol 289 unq 2 iso 0 dist 5.32839 5.15725 6.22311 7.82157 5.96434 6.24487 numMergedOcc 0
