0 mol 24 unq 0 iso 0 dist 8.86116 8.09311 11.6226 4.79736 12.3058 7.77964 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.38394 8.09311 6.17155 4.79736 10.6772 7.77964 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.04899 6.55597 4.69295 6.47509 7.05196 8.07318 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 5.04899 7.05196 6.47509 4.69295 6.55597 8.07318 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 5.04899 7.05196 6.47509 11.6045 12.3944 7.44277 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 7.57578 4.79873 10.2864 5.63212 10.9703 7.44277 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 7.17969 4.79873 11.4148 5.63212 10.3338 7.44277 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.73819 6.75943 4.96926 5.07458 6.66407 8.34145 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 5.73819 6.66407 5.07458 11.4153 13.8936 9.50614 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 5.73819 6.66407 5.07458 4.96926 6.75943 8.34145 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 8.80331 6.6263 5.41726 10.8828 10.0168 8.34145 numMergedOcc 0
11 mol 43 unq 4 iso 0 dist 6.20293 6.75943 5.41726 5.07458 10.0168 8.34145 numMergedOcc 0
12 mol 43 unq 5 iso 0 dist 8.93915 6.75943 10.0383 5.07458 10.9975 8.34145 numMergedOcc 0
13 mol 56 unq 0 iso 0 dist 8.66265 9.03564 6.75591 9.96534 13.2483 8.77529 numMergedOcc 0
14 mol 59 unq 0 iso 0 dist 7.17396 6.56212 7.31539 6.08003 12.4823 8.66724 numMergedOcc 0
15 mol 59 unq 1 iso 0 dist 9.21998 6.56212 11.1607 6.08003 13.2239 8.66724 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 8.70481 5.5087 11.2069 6.41115 15.0347 8.46627 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 8.70481 6.08682 10.6713 6.41115 15.0347 9.22208 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 9.64443 9.36001 5.31547 6.77937 12.8197 9.99441 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 7.27724 9.3948 3.94537 13.086 10.3995 8.75345 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 8.03644 9.3948 11.3215 13.086 18.3711 8.75345 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 8.69985 7.07971 4.69373 5.00433 8.52024 9.09348 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 8.69985 8.52024 5.00433 4.69373 7.07971 9.09348 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.30858 9.42082 15.3161 6.01673 13.22 7.65564 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 9.33865 6.39384 6.63111 6.95773 6.24825 7.65564 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 9.33865 6.24825 6.95773 6.63111 6.39384 7.65564 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 5.83991 9.42082 6.63111 6.01673 6.24825 7.65564 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 5.83991 6.24825 6.01673 6.63111 9.42082 7.65564 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 6.11741 6.39384 6.07067 6.95773 10.0255 7.65564 numMergedOcc 0
29 mol 115 unq 6 iso 0 dist 7.88312 9.42082 6.07067 6.01673 10.0255 7.65564 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 5.83384 5.58833 9.00231 6.16616 11.8464 8.25397 numMergedOcc 0
31 mol 130 unq 0 iso 0 dist 8.70949 6.93139 4.97996 7.21225 10.4778 7.5573 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 7.24514 8.26547 5.03174 6.9945 10.4642 7.48208 numMergedOcc 0
33 mol 133 unq 1 iso 0 dist 8.22656 8.26547 4.88025 6.9945 7.22643 7.48208 numMergedOcc 0
34 mol 133 unq 2 iso 0 dist 8.22656 7.22643 6.9945 4.88025 8.26547 7.48208 numMergedOcc 0
35 mol 133 unq 3 iso 0 dist 6.82262 9.05342 4.88025 4.19723 7.22643 7.48208 numMergedOcc 0
36 mol 133 unq 4 iso 0 dist 6.82262 7.22643 4.19723 4.88025 9.05342 7.48208 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 7.41373 9.33094 8.62504 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 8.94367 9.33094 7.41373 8.06642 7.21868 8.62504 numMergedOcc 0
39 mol 134 unq 2 iso 0 dist 6.37586 7.93372 8.06642 10.8635 9.33094 8.62504 numMergedOcc 0
40 mol 134 unq 3 iso 0 dist 6.37586 9.33094 10.8635 8.06642 7.93372 8.62504 numMergedOcc 0
41 mol 134 unq 4 iso 0 dist 6.49416 9.33094 12.3479 8.06642 11.988 8.62504 numMergedOcc 0
42 mol 134 unq 5 iso 0 dist 9.86662 7.21868 4.00092 7.41373 8.69531 8.62504 numMergedOcc 0
43 mol 134 unq 6 iso 0 dist 9.86662 8.69531 7.41373 4.00092 7.21868 8.62504 numMergedOcc 0
44 mol 134 unq 7 iso 0 dist 9.71307 7.93372 4.00092 10.8635 8.69531 8.62504 numMergedOcc 0
45 mol 134 unq 8 iso 0 dist 9.71307 8.69531 10.8635 4.00092 7.93372 8.62504 numMergedOcc 0
46 mol 143 unq 0 iso 0 dist 5.99315 5.40637 7.39837 4.78563 5.37047 9.29944 numMergedOcc 0
47 mol 143 unq 1 iso 0 dist 5.99315 5.37047 4.78563 7.39837 5.40637 9.29944 numMergedOcc 0
48 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 5.7304 10.7199 8.75024 numMergedOcc 0
49 mol 178 unq 0 iso 0 dist 6.69288 7.06025 6.42973 10.8974 9.79683 7.86352 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 7.81386 9.01624 5.71898 5.42158 9.81178 9.92831 numMergedOcc 0
51 mol 181 unq 1 iso 0 dist 7.63312 9.01624 5.93724 5.42158 10.6106 9.92831 numMergedOcc 0
52 mol 186 unq 0 iso 0 dist 7.54065 6.61112 11.0961 10.8286 17.8564 8.5672 numMergedOcc 0
53 mol 205 unq 0 iso 0 dist 9.61492 6.49765 10.6504 8.97813 15.255 5.03818 numMergedOcc 0
54 mol 205 unq 1 iso 0 dist 7.45763 6.49765 8.67921 8.97813 8.95122 5.03818 numMergedOcc 0
55 mol 214 unq 0 iso 0 dist 9.65138 7.46481 11.4955 16.8346 18.1547 9.43017 numMergedOcc 0
56 mol 214 unq 1 iso 0 dist 7.14453 7.46481 8.459 16.8346 15.2984 9.43017 numMergedOcc 0
57 mol 214 unq 2 iso 0 dist 8.85478 7.46481 11.1534 16.8346 18.5607 9.43017 numMergedOcc 0
58 mol 222 unq 0 iso 0 dist 7.21333 5.56538 6.84862 8.34852 12.0171 8.14294 numMergedOcc 0
59 mol 222 unq 1 iso 0 dist 7.21333 7.48954 9.53117 8.34852 12.0171 5.72 numMergedOcc 0
60 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 4.664 11.595 8.85955 numMergedOcc 0
61 mol 227 unq 1 iso 0 dist 7.22101 5.23634 5.0317 4.1511 9.91384 6.09335 numMergedOcc 0
62 mol 227 unq 2 iso 0 dist 8.65997 6.91318 5.0317 8.49509 11.595 8.85955 numMergedOcc 0
63 mol 227 unq 3 iso 0 dist 8.65997 6.91318 5.0317 4.69247 9.91384 6.09335 numMergedOcc 0
64 mol 227 unq 4 iso 0 dist 7.09863 5.23634 5.83175 4.664 10.1802 8.85955 numMergedOcc 0
65 mol 227 unq 5 iso 0 dist 7.09863 5.23634 5.83175 4.1511 10.3016 6.09335 numMergedOcc 0
66 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 10.4706 8.923 4.66186 numMergedOcc 0
67 mol 238 unq 1 iso 0 dist 7.31233 9.12776 10.3162 5.71717 10.1172 4.66186 numMergedOcc 0
68 mol 243 unq 0 iso 0 dist 8.23192 8.69318 5.71505 10.2068 10.5519 8.30024 numMergedOcc 0
69 mol 243 unq 1 iso 0 dist 8.23192 8.69318 5.71505 5.74165 7.10671 8.20943 numMergedOcc 0
70 mol 243 unq 2 iso 0 dist 8.23192 7.10671 5.74165 5.71505 8.69318 8.20943 numMergedOcc 0
71 mol 264 unq 0 iso 0 dist 9.17653 8.29262 10.7813 13.2035 19.5824 9.78237 numMergedOcc 0
72 mol 272 unq 0 iso 0 dist 8.48753 6.44147 5.12237 4.03396 10.3659 8.55539 numMergedOcc 0
73 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 3.97543 12.1398 7.16209 numMergedOcc 0
74 mol 277 unq 1 iso 0 dist 9.7748 6.92711 14.772 3.97543 12.1398 4.62936 numMergedOcc 0
