0 mol 12 unq 0 iso 0 dist 5.44478 9.41745 6.9065 8.79013 5.03514 8.10227 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.17979 7.23594 10.6394 9.00899 11.4319 4.59668 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.17979 7.23594 10.6394 7.826 5.69898 13.2203 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 6.04822 11.7739 5.03027 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.41008 7.0928 12.4427 7.72717 9.6251 8.17061 numMergedOcc 0
5 mol 36 unq 0 iso 0 dist 4.10339 7.34019 9.45335 6.1084 9.13645 4.24251 numMergedOcc 0
6 mol 36 unq 1 iso 0 dist 4.10339 8.43828 5.98566 6.1084 9.13645 9.98403 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.83248 9.15042 10.6711 9.4658 7.20713 9.49478 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 8.58849 5.39975 11.3575 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 5.8166 8.97292 6.34748 5.73075 8.37969 13.6023 numMergedOcc 0
10 mol 59 unq 2 iso 0 dist 5.8166 6.85083 6.47721 8.58849 5.39975 6.64449 numMergedOcc 0
11 mol 59 unq 3 iso 0 dist 5.8166 6.85083 6.47721 5.73075 8.37969 7.31539 numMergedOcc 0
12 mol 59 unq 4 iso 0 dist 6.47468 8.97292 13.0793 8.58849 5.46757 11.3575 numMergedOcc 0
13 mol 59 unq 5 iso 0 dist 6.47468 8.97292 13.0793 5.73075 3.58984 13.6023 numMergedOcc 0
14 mol 59 unq 6 iso 0 dist 6.47468 6.85083 8.64013 8.58849 5.46757 6.64449 numMergedOcc 0
15 mol 59 unq 7 iso 0 dist 6.47468 6.85083 8.64013 5.73075 3.58984 7.31539 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 8.20839 6.27528 8.8408 6.22498 3.83791 5.10993 numMergedOcc 0
17 mol 86 unq 0 iso 0 dist 8.4254 5.49793 5.19926 7.19148 7.36782 5.9022 numMergedOcc 0
18 mol 103 unq 0 iso 0 dist 5.72494 5.94478 6.07628 9.43076 4.78648 6.80028 numMergedOcc 0
19 mol 103 unq 1 iso 0 dist 8.70106 5.94478 10.2138 9.43076 10.6434 6.80028 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 7.34585 9.61656 6.9791 numMergedOcc 0
21 mol 125 unq 0 iso 0 dist 4.81596 8.38646 6.06241 9.69767 5.72858 9.19101 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 7.11486 6.57177 6.16616 numMergedOcc 0
23 mol 148 unq 0 iso 0 dist 5.86949 8.62898 5.34721 9.23896 8.49619 4.94499 numMergedOcc 0
24 mol 148 unq 1 iso 0 dist 5.86949 8.62898 5.34721 6.02506 8.01366 9.29878 numMergedOcc 0
25 mol 148 unq 2 iso 0 dist 8.60157 9.7168 5.77745 9.8506 16.0449 15.239 numMergedOcc 0
26 mol 148 unq 3 iso 0 dist 8.60157 7.38138 11.2162 9.8506 16.0449 8.68046 numMergedOcc 0
27 mol 148 unq 4 iso 0 dist 6.72591 9.7168 12.9245 9.8506 8.01366 15.239 numMergedOcc 0
28 mol 148 unq 5 iso 0 dist 6.72591 7.38138 10.5987 9.8506 8.01366 8.68046 numMergedOcc 0
29 mol 150 unq 0 iso 0 dist 5.84971 8.6102 5.38822 9.46439 8.69407 4.99218 numMergedOcc 0
30 mol 150 unq 1 iso 0 dist 5.84971 8.6102 5.38822 6.07854 8.04136 9.35505 numMergedOcc 0
31 mol 150 unq 2 iso 0 dist 8.59359 9.61132 5.71213 9.91991 16.1293 15.2388 numMergedOcc 0
32 mol 150 unq 3 iso 0 dist 8.59359 7.34423 11.2566 9.91991 16.1293 8.55576 numMergedOcc 0
33 mol 150 unq 4 iso 0 dist 6.80192 9.61132 12.8684 9.91991 8.04136 15.2388 numMergedOcc 0
34 mol 150 unq 5 iso 0 dist 6.80192 7.34423 10.4881 9.91991 8.04136 8.55576 numMergedOcc 0
35 mol 158 unq 0 iso 0 dist 6.45502 8.1504 5.16728 6.22696 7.41724 4.63654 numMergedOcc 0
36 mol 178 unq 0 iso 0 dist 7.33326 6.01118 5.84525 8.74572 14.0884 10.8974 numMergedOcc 0
37 mol 178 unq 1 iso 0 dist 7.33326 6.01118 5.84525 8.62441 11.0838 8.44333 numMergedOcc 0
38 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 8.45614 12.8965 4.88992 numMergedOcc 0
39 mol 182 unq 1 iso 0 dist 9.42196 6.31492 13.9897 8.45614 13.9118 4.88992 numMergedOcc 0
40 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 8.37455 9.62353 6.0599 numMergedOcc 0
41 mol 214 unq 0 iso 0 dist 9.66533 9.01896 11.3575 8.70011 10.0389 8.52282 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 7.8428 10.9358 9.99423 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 9.33299 9.34738 6.04412 7.8428 10.9358 8.95813 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 9.33299 9.47382 12.7868 7.8428 10.9358 8.81358 numMergedOcc 0
45 mol 259 unq 3 iso 0 dist 9.49732 6.49599 11.0067 7.8428 6.51653 9.99423 numMergedOcc 0
46 mol 259 unq 4 iso 0 dist 9.49732 9.34738 11.569 7.8428 6.51653 8.95813 numMergedOcc 0
47 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 7.8428 6.51653 8.81358 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 7.28238 7.70229 6.17747 9.07173 7.78603 8.58259 numMergedOcc 0
49 mol 282 unq 1 iso 0 dist 7.28238 7.90792 7.94567 9.07173 7.78603 5.29852 numMergedOcc 0
50 mol 282 unq 2 iso 0 dist 7.3389 7.70229 13.1327 9.07173 8.55841 8.58259 numMergedOcc 0
51 mol 282 unq 3 iso 0 dist 7.3389 7.90792 11.2762 9.07173 8.55841 5.29852 numMergedOcc 0
52 mol 284 unq 0 iso 0 dist 9.75137 9.27402 5.36955 7.21255 13.9708 10.6409 numMergedOcc 0
53 mol 284 unq 1 iso 0 dist 9.75137 9.26573 10.6793 7.21255 13.9708 6.25608 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 4.66252 9.22576 11.3048 7.74312 10.6613 4.13216 numMergedOcc 0
55 mol 288 unq 0 iso 0 dist 4.66252 9.22576 11.3048 7.74312 10.6613 4.13216 numMergedOcc 0
56 mol 289 unq 0 iso 0 dist 4.66252 9.22576 11.3048 7.74312 10.6613 4.13216 numMergedOcc 0
57 mol 292 unq 0 iso 0 dist 9.20553 6.8133 9.63504 6.98961 4.17974 5.50627 numMergedOcc 0
