0 mol 26 unq 0 iso 0 dist 6.73259 5.23054 6.73167 6.65309 7.40948 10.1642 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 6.73259 6.65309 7.40948 5.23054 6.73167 10.1642 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.60352 12.0047 6.73167 3.7444 7.40948 10.1642 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 8.60352 3.7444 7.40948 12.0047 6.73167 10.1642 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 6.12212 8.45505 7.99016 8.17661 6.41793 3.52812 numMergedOcc 0
5 mol 39 unq 0 iso 1 dist 6.12212 8.17661 6.41793 8.45505 7.99016 3.52812 numMergedOcc 0
6 mol 39 unq 1 iso 0 dist 6.12212 8.45505 7.99016 3.85593 6.50101 5.02447 numMergedOcc 0
7 mol 39 unq 1 iso 1 dist 6.12212 3.85593 6.50101 8.45505 7.99016 5.02447 numMergedOcc 0
8 mol 39 unq 1 iso 0 dist 6.12212 8.17661 6.41793 3.85593 6.50101 5.09114 numMergedOcc 0
9 mol 39 unq 1 iso 1 dist 6.12212 3.85593 6.50101 8.17661 6.41793 5.09114 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 5.69384 6.35003 8.04168 3.45432 5.70907 9.61175 numMergedOcc 0
11 mol 79 unq 0 iso 1 dist 5.69384 3.45432 5.70907 6.35003 8.04168 9.61175 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.42713 3.91263 7.8435 5.59024 5.99269 5.21654 numMergedOcc 0
13 mol 93 unq 0 iso 1 dist 8.42713 5.59024 5.99269 3.91263 7.8435 5.21654 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 8.42713 3.91263 7.8435 12.9872 5.71763 13.3531 numMergedOcc 0
15 mol 93 unq 1 iso 1 dist 8.42713 12.9872 5.71763 3.91263 7.8435 13.3531 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 8.42713 5.59024 5.99269 12.9872 5.71763 10.7398 numMergedOcc 0
17 mol 93 unq 1 iso 1 dist 8.42713 12.9872 5.71763 5.59024 5.99269 10.7398 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 8.21032 15.8131 7.8435 13.6266 5.99269 5.21654 numMergedOcc 0
19 mol 93 unq 2 iso 1 dist 8.21032 13.6266 5.99269 15.8131 7.8435 5.21654 numMergedOcc 0
20 mol 93 unq 3 iso 0 dist 8.21032 15.8131 7.8435 5.17052 5.71763 13.3531 numMergedOcc 0
21 mol 93 unq 3 iso 1 dist 8.21032 5.17052 5.71763 15.8131 7.8435 13.3531 numMergedOcc 0
22 mol 93 unq 3 iso 0 dist 8.21032 13.6266 5.99269 5.17052 5.71763 10.7398 numMergedOcc 0
23 mol 93 unq 3 iso 1 dist 8.21032 5.17052 5.71763 13.6266 5.99269 10.7398 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 7.47107 12.1522 5.53324 5.18485 6.72182 9.10229 numMergedOcc 0
25 mol 194 unq 0 iso 1 dist 7.47107 5.18485 6.72182 12.1522 5.53324 9.10229 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 9.65075 13.5289 9.57955 6.40342 8.79277 8.05944 numMergedOcc 0
27 mol 225 unq 0 iso 1 dist 9.65075 6.40342 8.79277 13.5289 9.57955 8.05944 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 8.28454 11.1052 9.87668 3.60045 8.42121 8.05944 numMergedOcc 0
29 mol 225 unq 1 iso 1 dist 8.28454 3.60045 8.42121 11.1052 9.87668 8.05944 numMergedOcc 0
30 mol 225 unq 2 iso 0 dist 8.28454 11.1052 9.87668 12.7272 7.8744 16.7885 numMergedOcc 0
31 mol 225 unq 2 iso 1 dist 8.28454 12.7272 7.8744 11.1052 9.87668 16.7885 numMergedOcc 0
32 mol 225 unq 3 iso 0 dist 8.28454 11.1052 9.87668 10.6169 4.98402 13.7858 numMergedOcc 0
33 mol 225 unq 3 iso 1 dist 8.28454 10.6169 4.98402 11.1052 9.87668 13.7858 numMergedOcc 0
34 mol 225 unq 2 iso 0 dist 8.28454 3.60045 8.42121 12.7272 7.8744 14.5755 numMergedOcc 0
35 mol 225 unq 2 iso 1 dist 8.28454 12.7272 7.8744 3.60045 8.42121 14.5755 numMergedOcc 0
36 mol 225 unq 3 iso 0 dist 8.28454 3.60045 8.42121 10.6169 4.98402 11.2712 numMergedOcc 0
37 mol 225 unq 3 iso 1 dist 8.28454 10.6169 4.98402 3.60045 8.42121 11.2712 numMergedOcc 0
38 mol 225 unq 3 iso 0 dist 8.28454 12.7272 7.8744 10.6169 4.98402 8.90802 numMergedOcc 0
39 mol 225 unq 3 iso 1 dist 8.28454 10.6169 4.98402 12.7272 7.8744 8.90802 numMergedOcc 0
40 mol 250 unq 0 iso 0 dist 9.43554 6.9412 7.22664 6.56481 7.15762 6.74332 numMergedOcc 0
41 mol 250 unq 0 iso 1 dist 9.43554 6.56481 7.15762 6.9412 7.22664 6.74332 numMergedOcc 0
42 mol 250 unq 1 iso 0 dist 9.21681 15.9167 7.22664 12.9916 7.15762 6.74332 numMergedOcc 0
43 mol 250 unq 1 iso 1 dist 9.21681 12.9916 7.15762 15.9167 7.22664 6.74332 numMergedOcc 0
44 mol 252 unq 0 iso 0 dist 9.81593 9.75376 8.19529 10.8474 6.45396 5.1765 numMergedOcc 0
45 mol 252 unq 0 iso 1 dist 9.81593 10.8474 6.45396 9.75376 8.19529 5.1765 numMergedOcc 0
46 mol 252 unq 1 iso 0 dist 9.78248 12.4311 8.19529 8.1205 6.45396 5.1765 numMergedOcc 0
47 mol 252 unq 1 iso 1 dist 9.78248 8.1205 6.45396 12.4311 8.19529 5.1765 numMergedOcc 0
48 mol 270 unq 0 iso 0 dist 8.05859 12.8011 7.39185 12.2628 8.20158 6.67404 numMergedOcc 0
49 mol 270 unq 0 iso 1 dist 8.05859 12.2628 8.20158 12.8011 7.39185 6.67404 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 5.63154 3.77031 5.8304 9.11782 7.37478 11.3734 numMergedOcc 0
51 mol 279 unq 0 iso 1 dist 5.63154 9.11782 7.37478 3.77031 5.8304 11.3734 numMergedOcc 0
