0 mol 7 unq 0 iso 0 dist 8.23909 13.7145 6.02702 10.4925 6.55304 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.85726 5.25379 6.7985 10.4728 8.43473 6.14469 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.72215 6.11915 6.02702 8.02892 6.55304 6.14469 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 6.79478 10.9655 6.35398 16.1805 10.9183 7.98326 numMergedOcc 0
4 mol 11 unq 1 iso 0 dist 6.79478 10.9655 6.35398 11.665 9.99434 7.90478 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 16.7308 14.012 6.72323 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.89722 11.5412 9.24757 12.5237 6.29906 8.87464 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 7.26679 11.2253 9.24757 13.0206 6.29906 8.87464 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.86724 5.97684 5.9465 12.2742 8.70803 6.77241 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 7.86724 5.97684 5.9465 8.66742 9.52327 5.50508 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.59261 5.24592 5.78706 4.96613 11.3905 7.14031 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 6.67936 5.24592 5.59328 4.96613 4.67519 7.14031 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 8.25817 5.24592 7.5242 4.96613 10.4027 7.14031 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 9.01767 10.4216 8.31932 12.9233 4.48396 8.88394 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 9.80678 12.8733 8.31932 11.9963 4.48396 8.88394 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.93703 5.01597 8.99399 6.13508 7.45148 7.20249 numMergedOcc 0
16 mol 125 unq 0 iso 0 dist 8.84867 11.7281 7.73435 16.0723 9.20086 6.11502 numMergedOcc 0
17 mol 125 unq 1 iso 0 dist 8.84867 14.8614 9.3778 16.0723 9.20086 6.33431 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.11955 4.7146 5.87634 11.0798 14.8102 8.95662 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 7.78849 4.15314 5.83771 9.46933 4.60632 6.40575 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 7.30021 9.69888 9.4013 9.6281 5.4555 8.37434 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.44191 6.70394 6.46704 13.0487 7.81713 7.32087 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 7.44191 11.2787 6.59025 13.0487 7.81713 8.86197 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 7.44191 11.2787 6.59025 13.2143 7.16549 5.94379 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 6.00053 10.8517 6.46704 12.5826 7.81713 7.32087 numMergedOcc 0
25 mol 181 unq 4 iso 0 dist 6.00053 5.87168 6.59025 12.5826 7.81713 8.86197 numMergedOcc 0
26 mol 181 unq 5 iso 0 dist 6.00053 5.87168 6.59025 5.67112 7.16549 5.94379 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 7.32478 7.75447 6.72379 11.9074 7.11753 6.38324 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 9.48439 6.38935 6.72379 10.896 7.11753 6.38324 numMergedOcc 0
29 mol 196 unq 0 iso 0 dist 6.76923 9.91514 6.86319 15.7716 10.645 7.21349 numMergedOcc 0
30 mol 226 unq 0 iso 0 dist 9.5723 7.93097 6.11704 10.7136 7.554 5.70795 numMergedOcc 0
31 mol 235 unq 0 iso 0 dist 9.71281 6.18998 6.36341 12.6417 5.5163 6.94789 numMergedOcc 0
32 mol 249 unq 0 iso 0 dist 7.29898 10.4369 5.48118 14.9674 9.0676 5.9627 numMergedOcc 0
33 mol 249 unq 1 iso 0 dist 8.91685 13.4788 5.48118 17.8805 9.0676 5.9627 numMergedOcc 0
34 mol 265 unq 0 iso 0 dist 8.1498 7.43256 6.71375 13.7473 10.0732 8.984 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 8.90885 5.06747 8.83865 12.1498 12.0136 7.16346 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 7.89852 5.62662 9.18157 10.6456 12.1851 7.16346 numMergedOcc 0
37 mol 273 unq 2 iso 0 dist 9.96963 5.06747 9.18157 12.1498 12.1851 7.16346 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 9.696 14.679 9.85289 13.0106 5.29529 6.88827 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 9.6331 12.4627 6.89451 16.9331 7.83813 6.95912 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 9.6331 12.4627 6.89451 16.9331 7.83813 6.95912 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 9.6331 12.4627 6.89451 16.9331 7.83813 6.95912 numMergedOcc 0
