0 mol 5 unq 0 iso 0 dist 7.8351 9.45559 10.0149 9.59917 7.95876 7.74636 8.41594 11.1493 7.64769 5.31713 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.8351 9.45559 10.0149 9.59917 7.95876 7.74636 12.663 14.7683 8.31759 7.84244 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.8351 7.4332 10.4078 8.94762 15.8919 8.34817 8.41594 11.1493 9.70883 13.2371 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.8351 7.4332 10.4078 8.94762 15.8919 8.34817 11.6739 17.9877 9.65565 3.24598 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.23212 9.74528 9.68636 11.3059 6.54358 9.89425 15.0022 14.9214 6.83186 12.0683 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 8.37503 7.88072 9.52037 4.5844 12.3291 8.67216 4.83638 13.1097 9.63882 3.08756 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 8.37503 7.88072 9.52037 4.5844 12.3291 8.67216 5.2103 10.8573 6.87277 3.30447 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 5.36645 8.26877 6.88863 12.0497 13.0948 7.78689 5.39197 7.15542 8.22812 9.26377 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 5.36645 8.26877 6.88863 12.0497 13.0948 7.78689 9.53255 8.89047 4.22002 4.88527 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 5.36645 8.26877 6.88863 12.0497 13.0948 7.78689 7.75132 8.89003 5.77855 4.76279 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 5.36645 8.26877 6.88863 12.0497 13.0948 7.78689 14.2848 13.1859 8.10774 5.56357 numMergedOcc 0
11 mol 48 unq 4 iso 0 dist 5.36645 8.26877 6.88863 12.0497 13.0948 7.78689 12.4977 9.21413 6.5241 9.94951 numMergedOcc 0
12 mol 48 unq 5 iso 0 dist 8.89758 8.10222 8.42491 5.75684 12.7175 7.70645 9.57893 13.4419 8.14245 5.43784 numMergedOcc 0
13 mol 48 unq 6 iso 0 dist 8.89758 8.10222 8.42491 5.75684 12.7175 7.70645 12.6437 12.9762 6.36817 9.7018 numMergedOcc 0
14 mol 48 unq 7 iso 0 dist 8.89758 8.10222 8.42491 5.75684 12.7175 7.70645 12.0687 15.9912 8.0812 8.95384 numMergedOcc 0
15 mol 48 unq 8 iso 0 dist 8.89758 8.10222 8.42491 5.75684 12.7175 7.70645 7.88988 11.4393 4.17933 4.57947 numMergedOcc 0
16 mol 48 unq 9 iso 0 dist 8.89758 8.10222 8.42491 5.75684 12.7175 7.70645 8.00934 12.9043 5.54893 4.60843 numMergedOcc 0
17 mol 68 unq 0 iso 0 dist 9.7754 5.26566 6.60361 9.4465 12.4729 8.71074 5.08181 13.4733 7.7485 7.18877 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 4.83274 5.91098 3.69293 13.363 10.2456 9.57759 11.6853 10.985 7.66068 9.50354 numMergedOcc 0
19 mol 76 unq 1 iso 0 dist 4.83274 5.91098 3.69293 13.363 10.2456 9.57759 15.0489 12.8435 9.5043 12.0331 numMergedOcc 0
20 mol 76 unq 2 iso 0 dist 4.83274 5.91098 3.69293 13.363 10.2456 9.57759 14.2393 10.6942 8.34132 9.2434 numMergedOcc 0
21 mol 76 unq 3 iso 0 dist 7.89214 4.86523 3.69293 7.37421 10.2456 9.57759 4.94673 10.985 7.66068 9.50354 numMergedOcc 0
22 mol 76 unq 4 iso 0 dist 7.89214 4.86523 3.69293 7.37421 10.2456 9.57759 5.78236 12.8435 9.5043 12.0331 numMergedOcc 0
23 mol 76 unq 5 iso 0 dist 7.89214 4.86523 3.69293 7.37421 10.2456 9.57759 4.73151 10.6942 8.34132 9.2434 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 7.5984 5.33772 6.75249 7.11802 5.40637 6.60366 5.08025 8.99891 4.3855 5.94217 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 7.77535 9.53899 11.4905 10.0389 16.026 7.66702 6.49466 13.0289 7.42759 3.64285 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.84188 4.1545 13.7583 6.65084 13.3371 5.13533 5.11865 9.54359 7.98956 10.5214 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 8.35794 4.1545 11.8607 6.65084 12.1398 5.13533 5.11865 5.69112 7.98956 10.5214 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.45019 8.17436 12.3128 7.94344 13.2357 4.93516 9.08224 12.2717 4.68668 3.66473 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 7.45019 8.17436 12.3128 7.94344 13.2357 4.93516 9.08224 12.2717 4.68668 3.66473 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.45019 8.17436 12.3128 7.94344 13.2357 4.93516 9.08224 12.2717 4.68668 3.66473 numMergedOcc 0
