0 mol 7 unq 0 iso 0 dist 8.85869 14.1047 9.85726 13.0802 5.25379 6.7985 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.85869 14.1047 9.85726 9.02286 5.03532 6.44736 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.72142 5.40044 8.47315 9.9153 12.1062 6.72833 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 8.46837 11.958 8.33883 16.9822 10.2885 6.93532 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 16.0184 10.7304 8.95682 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 11.9521 10.7304 8.95682 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.10175 5.65405 5.59773 8.60653 7.93241 7.21717 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 13.2119 11.5412 9.24757 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.40844 13.4367 7.26679 13.2119 11.2253 9.24757 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.02351 10.3774 7.26679 14.1293 11.2253 9.24757 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.53504 9.64124 6.89722 17.6925 11.5412 9.24757 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 8.66342 9.64124 7.26679 17.6925 11.2253 9.24757 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 9.61113 13.9809 9.01767 18.7002 10.4216 8.31932 numMergedOcc 0
13 mol 102 unq 1 iso 0 dist 7.59973 13.9809 9.80678 18.7002 12.8733 8.31932 numMergedOcc 0
14 mol 102 unq 2 iso 0 dist 7.73836 5.09542 9.01767 11.4976 10.4216 8.31932 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 12.7156 12.5697 6.84011 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 15.0655 7.09391 9.23819 numMergedOcc 0
17 mol 122 unq 1 iso 0 dist 9.44209 11.9943 8.33083 18.2821 10.4589 8.88537 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 8.26291 5.25879 8.54461 6.87196 7.91054 8.78276 numMergedOcc 0
19 mol 130 unq 1 iso 0 dist 8.26291 10.9365 7.83619 6.87196 7.91054 7.96646 numMergedOcc 0
20 mol 130 unq 2 iso 0 dist 7.86001 10.7254 8.54461 12.3159 7.91054 8.78276 numMergedOcc 0
21 mol 130 unq 3 iso 0 dist 7.86001 5.63567 7.83619 12.3159 7.91054 7.96646 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 5.43662 4.17212 8.70296 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 5.50364 5.29825 8.97145 13.3064 13.6005 9.25558 numMergedOcc 0
24 mol 131 unq 2 iso 0 dist 8.7301 5.29825 6.5874 5.43662 9.64263 8.70296 numMergedOcc 0
25 mol 131 unq 3 iso 0 dist 8.7301 5.29825 6.5874 13.3064 5.55307 9.25558 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 10.6749 9.69888 9.4013 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 8.34508 12.7636 7.30021 15.6807 9.69888 9.4013 numMergedOcc 0
28 mol 174 unq 0 iso 0 dist 8.67807 11.932 8.76218 16.5101 10.886 8.87569 numMergedOcc 0
29 mol 174 unq 1 iso 0 dist 8.67807 11.932 8.76218 15.3474 11.8159 9.87122 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 15.2004 10.5222 9.39352 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 4.35909 5.32859 7.44191 8.50938 6.70394 6.46704 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 4.35909 5.32859 7.44191 9.8283 11.2787 6.59025 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 5.77393 5.32859 6.00053 8.50938 10.8517 6.46704 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 5.77393 5.32859 6.00053 9.8283 5.87168 6.59025 numMergedOcc 0
35 mol 213 unq 0 iso 0 dist 8.84278 8.28789 4.58599 13.0786 11.5146 8.14332 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 8.58709 5.1021 9.8711 7.58118 4.39102 6.59716 numMergedOcc 0
37 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 13.4892 15.9714 9.07471 numMergedOcc 0
38 mol 226 unq 0 iso 0 dist 9.05082 10.78 9.5723 6.82883 7.93097 6.11704 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 11.6367 16.3489 7.43071 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 6.65275 5.75236 5.41321 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 4.21935 4.77446 6.37342 10.3104 7.48655 8.84636 numMergedOcc 0
42 mol 248 unq 0 iso 0 dist 7.83878 5.68749 7.66519 10.1331 5.81577 7.16525 numMergedOcc 0
43 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 13.1394 10.4369 5.48118 numMergedOcc 0
44 mol 249 unq 1 iso 0 dist 6.50067 8.68833 8.91685 13.1394 13.4788 5.48118 numMergedOcc 0
45 mol 251 unq 0 iso 0 dist 8.65547 10.0672 9.82043 10.7704 5.93645 8.68707 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 9.96645 6.04536 9.696 12.6353 14.679 9.85289 numMergedOcc 0
47 mol 274 unq 1 iso 0 dist 9.2447 6.12463 9.696 15.8084 14.679 9.85289 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 12.5082 7.46507 9.0975 numMergedOcc 0
49 mol 282 unq 1 iso 0 dist 7.14443 4.89059 5.80981 12.5082 7.79565 9.0975 numMergedOcc 0
