0 mol 62 unq 0 iso 0 dist 6.49446 5.06459 7.30651 10.9175 8.7531 10.1267 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 6.49446 5.06459 7.30651 5.4275 7.25138 5.98227 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.0101 4.05111 6.63973 6.27527 6.46582 3.35924 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 5.8409 10.8182 7.32064 7.4829 8.48827 6.99884 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 5.8409 10.8182 7.32064 8.47947 7.14048 3.75261 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 5.8409 9.73666 5.24136 7.4829 8.48827 7.80916 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 5.8409 9.73666 5.24136 8.47947 7.14048 5.07608 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 5.8409 10.6235 6.44687 7.4829 8.48827 12.6024 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 5.8409 10.6235 6.44687 8.47947 7.14048 11.1395 numMergedOcc 0
9 mol 78 unq 6 iso 0 dist 5.8409 3.48199 5.85007 7.4829 8.48827 4.75637 numMergedOcc 0
10 mol 78 unq 7 iso 0 dist 5.8409 3.48199 5.85007 8.47947 7.14048 5.62063 numMergedOcc 0
11 mol 78 unq 8 iso 0 dist 8.13368 10.8182 4.62314 7.4829 8.03895 6.99884 numMergedOcc 0
12 mol 78 unq 9 iso 0 dist 8.13368 10.8182 4.62314 8.47947 5.68873 3.75261 numMergedOcc 0
13 mol 78 unq 10 iso 0 dist 8.13368 9.73666 4.41745 7.4829 8.03895 7.80916 numMergedOcc 0
14 mol 78 unq 11 iso 0 dist 8.13368 9.73666 4.41745 8.47947 5.68873 5.07608 numMergedOcc 0
15 mol 78 unq 12 iso 0 dist 8.13368 3.48199 6.35234 7.4829 8.03895 4.75637 numMergedOcc 0
16 mol 78 unq 13 iso 0 dist 8.13368 3.48199 6.35234 8.47947 5.68873 5.62063 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 7.18358 6.06978 7.58743 8.10649 9.853 5.43879 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 6.31509 12.8104 8.3505 5.90092 9.68556 17.213 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 6.31509 5.43272 7.34638 5.90092 9.68556 11.0062 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 6.28645 8.50179 6.12348 6.39939 7.08403 3.52445 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 4.76012 5.75588 6.53559 8.90391 7.04904 12.7725 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 4.76012 5.75588 6.53559 5.85476 5.06053 10.2785 numMergedOcc 0
23 mol 129 unq 2 iso 0 dist 4.76012 4.18263 7.90844 8.90391 7.04904 9.39617 numMergedOcc 0
24 mol 129 unq 3 iso 0 dist 4.76012 4.18263 7.90844 5.85476 5.06053 6.48525 numMergedOcc 0
25 mol 169 unq 0 iso 0 dist 6.57161 8.66931 6.27683 6.55092 7.33643 3.59996 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 7.7195 4.91613 6.51523 4.71092 7.06555 7.20382 numMergedOcc 0
27 mol 171 unq 1 iso 0 dist 8.30819 4.61696 6.51523 10.7165 7.06555 7.20382 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 5.39622 8.84505 9.18289 6.14958 6.99587 4.97041 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 5.39622 8.84505 9.18289 5.87342 4.37577 6.50779 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 5.39622 8.53889 6.52441 6.14958 6.99587 4.75583 numMergedOcc 0
31 mol 186 unq 3 iso 0 dist 5.39622 8.53889 6.52441 5.87342 4.37577 3.11607 numMergedOcc 0
32 mol 186 unq 4 iso 0 dist 5.39622 5.565 6.26168 6.14958 6.99587 5.53349 numMergedOcc 0
33 mol 186 unq 5 iso 0 dist 5.39622 5.565 6.26168 5.87342 4.37577 4.65666 numMergedOcc 0
34 mol 192 unq 0 iso 0 dist 7.83389 12.5518 7.93715 9.84703 5.05414 3.41605 numMergedOcc 0
35 mol 192 unq 1 iso 0 dist 7.83389 12.5518 7.93715 10.1702 7.16964 7.59825 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 6.17749 10.935 8.86886 4.73685 4.90656 10.1968 numMergedOcc 0
37 mol 230 unq 0 iso 0 dist 6.97966 3.86571 8.98005 6.74388 6.99256 5.53923 numMergedOcc 0
38 mol 270 unq 0 iso 0 dist 4.60602 4.65147 6.46935 9.89802 7.97614 7.2389 numMergedOcc 0
39 mol 270 unq 1 iso 0 dist 4.60602 7.14116 5.98384 9.89802 7.97614 3.30547 numMergedOcc 0
40 mol 270 unq 2 iso 0 dist 6.62637 7.68003 6.46935 8.63373 7.97614 7.2389 numMergedOcc 0
41 mol 270 unq 3 iso 0 dist 6.62637 5.44817 5.98384 8.63373 7.97614 3.30547 numMergedOcc 0
