0 mol 20 unq 0 iso 0 dist 6.81416 7.5037 9.47968 5.06894 8.25405 12.5088 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.8533 7.54726 6.73259 4.18634 6.73167 5.23054 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.8533 7.54726 6.73259 13.421 7.40948 6.65309 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.8533 15.6533 8.60352 4.18634 6.73167 12.0047 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.8533 15.6533 8.60352 13.421 7.40948 3.7444 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 6.87744 12.5131 6.73259 12.7209 6.73167 5.23054 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 6.87744 12.5131 6.73259 9.09086 7.40948 6.65309 numMergedOcc 0
7 mol 26 unq 6 iso 0 dist 6.87744 7.40006 8.60352 12.7209 6.73167 12.0047 numMergedOcc 0
8 mol 26 unq 7 iso 0 dist 6.87744 7.40006 8.60352 9.09086 7.40948 3.7444 numMergedOcc 0
9 mol 26 unq 8 iso 0 dist 7.2612 11.9212 9.46609 6.75443 6.38243 6.0606 numMergedOcc 0
10 mol 34 unq 0 iso 0 dist 8.8717 6.87212 9.69215 6.65242 9.58596 9.96454 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 5.94459 6.51886 5.74389 4.60844 8.05514 4.62009 numMergedOcc 0
12 mol 74 unq 0 iso 0 dist 6.2442 5.11539 9.43699 4.4368 6.3567 8.38339 numMergedOcc 0
13 mol 74 unq 1 iso 0 dist 6.2442 5.6967 5.23115 4.4368 6.3567 8.14688 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 7.03633 3.56535 6.17362 9.31342 9.12084 6.84628 numMergedOcc 0
15 mol 128 unq 1 iso 0 dist 7.03633 9.33619 6.4416 9.31342 9.12084 8.84157 numMergedOcc 0
16 mol 128 unq 2 iso 0 dist 7.03633 8.7862 6.91935 9.31342 9.12084 4.99095 numMergedOcc 0
17 mol 128 unq 3 iso 0 dist 7.90691 10.7105 6.17362 12.6206 9.12084 6.84628 numMergedOcc 0
18 mol 128 unq 4 iso 0 dist 7.90691 4.9915 6.4416 12.6206 9.12084 8.84157 numMergedOcc 0
19 mol 128 unq 5 iso 0 dist 7.90691 8.28445 6.91935 12.6206 9.12084 4.99095 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 9.08064 9.8421 6.0733 10.9048 9.05336 3.75291 numMergedOcc 0
21 mol 154 unq 0 iso 0 dist 6.03116 9.95968 9.2042 13.1744 9.82982 5.18463 numMergedOcc 0
22 mol 173 unq 0 iso 0 dist 7.87322 9.91529 5.36078 9.92222 7.17037 3.83661 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 6.06105 11.8099 9.65075 5.30128 9.57955 13.5289 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 6.06105 11.8099 9.65075 7.291 8.79277 6.40342 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 9.33359 9.48296 8.38439 4.51728 9.14068 7.9415 numMergedOcc 0
26 mol 250 unq 0 iso 0 dist 9.26007 10.3683 9.43554 9.01873 7.22664 6.9412 numMergedOcc 0
27 mol 250 unq 1 iso 0 dist 9.26007 10.3683 9.43554 3.96634 7.15762 6.56481 numMergedOcc 0
28 mol 250 unq 2 iso 0 dist 9.26007 12.9156 9.21681 9.01873 7.22664 15.9167 numMergedOcc 0
29 mol 250 unq 3 iso 0 dist 9.26007 12.9156 9.21681 3.96634 7.15762 12.9916 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 8.62351 14.0369 9.81593 7.51673 8.19529 9.75376 numMergedOcc 0
31 mol 252 unq 1 iso 0 dist 8.62351 14.0369 9.81593 9.93939 6.45396 10.8474 numMergedOcc 0
32 mol 252 unq 2 iso 0 dist 8.62351 13.2459 9.78248 7.51673 8.19529 12.4311 numMergedOcc 0
33 mol 252 unq 3 iso 0 dist 8.62351 13.2459 9.78248 9.93939 6.45396 8.1205 numMergedOcc 0
34 mol 252 unq 4 iso 0 dist 9.44744 7.47327 5.22349 16.3896 9.39658 10.7358 numMergedOcc 0
35 mol 252 unq 5 iso 0 dist 6.94319 7.47327 9.81593 10.1704 8.19529 9.75376 numMergedOcc 0
36 mol 252 unq 6 iso 0 dist 6.94319 7.47327 9.81593 7.35069 6.45396 10.8474 numMergedOcc 0
37 mol 252 unq 7 iso 0 dist 6.94319 12.2701 9.78248 10.1704 8.19529 12.4311 numMergedOcc 0
38 mol 252 unq 8 iso 0 dist 6.94319 12.2701 9.78248 7.35069 6.45396 8.1205 numMergedOcc 0
39 mol 270 unq 0 iso 0 dist 8.2483 8.39676 8.05859 9.76047 7.39185 12.8011 numMergedOcc 0
40 mol 270 unq 1 iso 0 dist 8.2483 8.39676 8.05859 5.26516 8.20158 12.2628 numMergedOcc 0
