0 mol 26 unq 0 iso 0 dist 8.44506 7.11305 6.38243 6.33493 9.41425 4.73981 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.44903 4.96926 7.15901 9.80379 9.82307 5.14161 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.03303 8.96557 7.69861 6.28792 8.59337 9.21869 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.03303 8.96557 7.69861 4.4893 7.66942 6.06973 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 6.49956 4.3481 7.0561 5.94724 7.7346 3.70642 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 9.81831 16.1023 7.8435 8.13232 6.46217 13.6138 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 9.81831 13.1721 5.99269 8.13232 6.46217 12.3588 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 9.81831 9.34182 5.71763 8.13232 6.46217 4.98621 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 9.12858 12.4934 7.8435 9.79899 6.46217 13.6138 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 9.12858 11.0537 5.99269 9.79899 6.46217 12.3588 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 9.12858 12.0103 5.71763 9.79899 6.46217 4.98621 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 9.4523 10.8106 7.8435 13.6379 6.46217 13.6138 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 9.4523 7.14217 5.99269 13.6379 6.46217 12.3588 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 9.4523 12.9351 5.71763 13.6379 6.46217 4.98621 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.49226 12.068 9.43989 4.19634 7.19893 15.2813 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 5.49226 12.068 9.43989 4.45407 6.37938 14.3635 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 6.28351 5.59468 9.43989 10.2041 7.19893 15.2813 numMergedOcc 0
17 mol 147 unq 3 iso 0 dist 6.28351 5.59468 9.43989 10.5141 6.37938 14.3635 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.77552 12.4535 6.92726 10.6994 7.34557 6.15601 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 8.28642 9.84297 6.92726 4.68615 7.34557 6.15601 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 8.35555 4.94983 7.1069 9.75376 9.48674 5.12696 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 7.88319 13.7172 6.11331 6.60451 8.06621 11.6769 numMergedOcc 0
22 mol 170 unq 0 iso 0 dist 8.15099 4.78249 5.13268 8.17522 7.48765 4.57041 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 7.28841 8.0472 8.17226 4.02821 7.88501 4.46688 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 7.28841 8.0472 8.17226 10.619 9.09585 4.9849 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 8.57261 9.71636 7.79115 8.02684 6.18257 3.42559 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 9.18635 5.33039 8.8864 9.65062 5.20846 7.0121 numMergedOcc 0
27 mol 198 unq 1 iso 0 dist 9.18635 10.1469 8.12201 9.65062 5.20846 3.4601 numMergedOcc 0
28 mol 198 unq 2 iso 0 dist 9.18635 5.76471 5.45162 9.65062 5.20846 4.35222 numMergedOcc 0
29 mol 198 unq 3 iso 0 dist 8.10985 9.76488 8.8864 4.27652 5.20846 7.0121 numMergedOcc 0
30 mol 198 unq 4 iso 0 dist 8.10985 6.0599 8.12201 4.27652 5.20846 3.4601 numMergedOcc 0
31 mol 198 unq 5 iso 0 dist 8.10985 6.05382 5.45162 4.27652 5.20846 4.35222 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 7.63018 11.3763 9.14831 11.6379 8.83523 16.3997 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 8.86175 3.8877 8.04838 9.9009 6.62738 9.10705 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 8.86175 3.8877 8.04838 11.0018 7.13254 8.25033 numMergedOcc 0
35 mol 218 unq 2 iso 0 dist 6.29511 6.0516 8.04838 10.3884 6.62738 9.10705 numMergedOcc 0
36 mol 218 unq 3 iso 0 dist 6.29511 6.0516 8.04838 11.2389 7.13254 8.25033 numMergedOcc 0
37 mol 230 unq 0 iso 0 dist 6.41286 9.70574 7.07833 10.043 6.31092 5.53923 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 8.47784 6.62402 8.19529 17.5547 9.76731 14.7399 numMergedOcc 0
39 mol 252 unq 1 iso 0 dist 8.47784 6.62402 8.19529 14.3189 8.38599 9.50623 numMergedOcc 0
40 mol 252 unq 2 iso 0 dist 8.47784 10.2463 6.45396 17.5547 9.76731 10.4834 numMergedOcc 0
41 mol 252 unq 3 iso 0 dist 8.47784 10.2463 6.45396 14.3189 8.38599 4.73966 numMergedOcc 0
42 mol 252 unq 4 iso 0 dist 8.66469 8.71281 8.19529 11.5735 9.76731 14.7399 numMergedOcc 0
43 mol 252 unq 5 iso 0 dist 8.66469 8.71281 8.19529 6.19934 8.38599 9.50623 numMergedOcc 0
44 mol 252 unq 6 iso 0 dist 8.66469 4.54582 6.45396 11.5735 9.76731 10.4834 numMergedOcc 0
45 mol 252 unq 7 iso 0 dist 8.66469 4.54582 6.45396 6.19934 8.38599 4.73966 numMergedOcc 0
46 mol 264 unq 0 iso 0 dist 6.04162 11.4167 7.14086 5.82362 8.78525 10.1726 numMergedOcc 0
47 mol 264 unq 1 iso 0 dist 6.14323 13.2035 7.14086 10.6043 8.78525 10.1726 numMergedOcc 0
