0 mol 24 unq 0 iso 0 dist 8.15652 10.9024 8.70141 15.461 9.65174 10.3497 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.44893 10.7171 8.70141 4.30555 9.65174 10.3497 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.2612 11.9212 9.46609 5.01774 9.41425 9.54853 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.72742 6.66112 7.27883 16.7414 9.31883 13.9292 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.72742 6.66112 7.27883 15.4411 9.475 12.332 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 8.72742 6.66112 7.27883 15.4933 8.34011 10.6903 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 8.72742 6.66112 7.27883 9.39237 6.29842 7.10408 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 6.90574 4.51896 9.82548 11.2375 4.72339 14.3069 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 6.90574 4.51896 9.82548 10.673 6.48902 11.6056 numMergedOcc 0
9 mol 111 unq 2 iso 0 dist 6.90574 4.51896 9.82548 6.87591 7.21505 10.8119 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.36473 4.73128 5.82501 8.14095 6.4569 5.40104 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 7.03633 3.56535 6.17362 5.74684 7.12765 3.81254 numMergedOcc 0
12 mol 128 unq 1 iso 0 dist 7.03633 3.56535 6.17362 5.15271 6.28471 6.13996 numMergedOcc 0
13 mol 128 unq 2 iso 0 dist 7.03633 9.33619 6.4416 5.74684 7.12765 7.67031 numMergedOcc 0
14 mol 128 unq 3 iso 0 dist 7.03633 9.33619 6.4416 5.15271 6.28471 4.62046 numMergedOcc 0
15 mol 128 unq 4 iso 0 dist 7.03633 8.7862 6.91935 5.74684 7.12765 4.79627 numMergedOcc 0
16 mol 128 unq 5 iso 0 dist 7.03633 8.7862 6.91935 5.15271 6.28471 4.769 numMergedOcc 0
17 mol 128 unq 6 iso 0 dist 7.90691 10.7105 6.17362 10.2523 7.12765 3.81254 numMergedOcc 0
18 mol 128 unq 7 iso 0 dist 7.90691 10.7105 6.17362 5.43682 6.28471 6.13996 numMergedOcc 0
19 mol 128 unq 8 iso 0 dist 7.90691 4.9915 6.4416 10.2523 7.12765 7.67031 numMergedOcc 0
20 mol 128 unq 9 iso 0 dist 7.90691 4.9915 6.4416 5.43682 6.28471 4.62046 numMergedOcc 0
21 mol 128 unq 10 iso 0 dist 7.90691 8.28445 6.91935 10.2523 7.12765 4.79627 numMergedOcc 0
22 mol 128 unq 11 iso 0 dist 7.90691 8.28445 6.91935 5.43682 6.28471 4.769 numMergedOcc 0
23 mol 146 unq 0 iso 0 dist 4.83039 6.08259 5.04351 9.05929 8.71836 10.8094 numMergedOcc 0
24 mol 146 unq 1 iso 0 dist 5.38829 4.67177 5.04351 6.43443 8.71836 10.8094 numMergedOcc 0
25 mol 146 unq 2 iso 0 dist 7.498 6.31044 5.04351 10.5026 8.71836 10.8094 numMergedOcc 0
26 mol 163 unq 0 iso 0 dist 8.74174 9.10578 9.3832 10.1781 7.69757 3.65465 numMergedOcc 0
27 mol 163 unq 1 iso 0 dist 8.74174 9.44058 6.0247 10.1781 7.69757 11.458 numMergedOcc 0
28 mol 163 unq 2 iso 0 dist 8.74174 5.51241 6.40873 10.1781 7.69757 9.56095 numMergedOcc 0
29 mol 167 unq 0 iso 0 dist 6.6276 4.88159 9.17387 5.60897 8.23119 5.09728 numMergedOcc 0
30 mol 173 unq 0 iso 0 dist 7.87322 9.91529 5.36078 5.50118 9.02222 12.3916 numMergedOcc 0
31 mol 182 unq 0 iso 0 dist 9.94949 8.02514 9.52012 7.33017 9.19506 6.13129 numMergedOcc 0
32 mol 182 unq 1 iso 0 dist 9.94949 8.02514 9.52012 11.9628 9.94904 4.38036 numMergedOcc 0
33 mol 182 unq 2 iso 0 dist 9.94949 8.02514 9.52012 13.6283 9.30893 9.10159 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 9.26007 10.3683 9.43554 11.9339 7.5999 7.81555 numMergedOcc 0
35 mol 250 unq 1 iso 0 dist 9.26007 10.3683 9.43554 5.96199 9.50976 9.41799 numMergedOcc 0
36 mol 250 unq 2 iso 0 dist 9.26007 12.9156 9.21681 11.9339 7.5999 16.7301 numMergedOcc 0
37 mol 250 unq 3 iso 0 dist 9.26007 12.9156 9.21681 5.96199 9.50976 16.2129 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 8.62351 14.0369 9.81593 14.4633 9.76731 18.713 numMergedOcc 0
39 mol 252 unq 1 iso 0 dist 8.62351 14.0369 9.81593 12.2716 8.38599 15.0079 numMergedOcc 0
40 mol 252 unq 2 iso 0 dist 8.62351 13.2459 9.78248 14.4633 9.76731 3.91004 numMergedOcc 0
41 mol 252 unq 3 iso 0 dist 8.62351 13.2459 9.78248 12.2716 8.38599 3.76825 numMergedOcc 0
42 mol 252 unq 4 iso 0 dist 6.94319 7.47327 9.81593 12.6745 9.76731 18.713 numMergedOcc 0
43 mol 252 unq 5 iso 0 dist 6.94319 7.47327 9.81593 9.62252 8.38599 15.0079 numMergedOcc 0
44 mol 252 unq 6 iso 0 dist 6.94319 12.2701 9.78248 12.6745 9.76731 3.91004 numMergedOcc 0
45 mol 252 unq 7 iso 0 dist 6.94319 12.2701 9.78248 9.62252 8.38599 3.76825 numMergedOcc 0
