0 mol 83 unq 0 iso 0 dist 8.79457 14.6805 9.25264 13.549 8.90591 5.48288 numMergedOcc 0
1 mol 83 unq 0 iso 1 dist 9.25264 14.6805 8.79457 5.48288 8.90591 13.549 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 9.43487 8.76937 9.97052 13.1684 6.41507 9.20774 numMergedOcc 0
3 mol 113 unq 0 iso 1 dist 9.97052 8.76937 9.43487 9.20774 6.41507 13.1684 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 9.43487 8.76937 9.97052 8.60362 6.03035 5.56591 numMergedOcc 0
5 mol 113 unq 1 iso 1 dist 9.97052 8.76937 9.43487 5.56591 6.03035 8.60362 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 9.43487 14.4973 7.3324 13.1684 6.41507 10.6893 numMergedOcc 0
7 mol 113 unq 2 iso 1 dist 7.3324 14.4973 9.43487 10.6893 6.41507 13.1684 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 9.43487 14.4973 7.3324 8.60362 6.03035 12.0012 numMergedOcc 0
9 mol 113 unq 3 iso 1 dist 7.3324 14.4973 9.43487 12.0012 6.03035 8.60362 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 9.97052 13.7958 7.3324 9.20774 6.41507 10.6893 numMergedOcc 0
11 mol 113 unq 2 iso 1 dist 7.3324 13.7958 9.97052 10.6893 6.41507 9.20774 numMergedOcc 0
12 mol 113 unq 3 iso 0 dist 9.97052 13.7958 7.3324 5.56591 6.03035 12.0012 numMergedOcc 0
13 mol 113 unq 3 iso 1 dist 7.3324 13.7958 9.97052 12.0012 6.03035 5.56591 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 4.80778 5.01776 6.58803 3.84992 5.47256 5.68827 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 6.58803 5.01776 4.80778 5.68827 5.47256 3.84992 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 4.80778 11.3944 9.96967 3.84992 5.47256 10.124 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 9.96967 11.3944 4.80778 10.124 5.47256 3.84992 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 4.80778 10.5425 6.31523 3.84992 5.47256 11.5628 numMergedOcc 0
19 mol 133 unq 2 iso 1 dist 6.31523 10.5425 4.80778 11.5628 5.47256 3.84992 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 6.58803 7.3347 9.96967 5.68827 5.47256 10.124 numMergedOcc 0
21 mol 133 unq 1 iso 1 dist 9.96967 7.3347 6.58803 10.124 5.47256 5.68827 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 6.58803 12.3753 6.31523 5.68827 5.47256 11.5628 numMergedOcc 0
23 mol 133 unq 2 iso 1 dist 6.31523 12.3753 6.58803 11.5628 5.47256 5.68827 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 9.96967 14.0664 6.31523 10.124 5.47256 11.5628 numMergedOcc 0
25 mol 133 unq 2 iso 1 dist 6.31523 14.0664 9.96967 11.5628 5.47256 10.124 numMergedOcc 0
26 mol 176 unq 0 iso 0 dist 8.00931 7.54158 9.65262 7.24458 8.77098 6.12334 numMergedOcc 0
27 mol 176 unq 0 iso 1 dist 9.65262 7.54158 8.00931 6.12334 8.77098 7.24458 numMergedOcc 0
28 mol 198 unq 0 iso 0 dist 9.7384 4.05005 8.89259 8.86056 9.56078 5.70176 numMergedOcc 0
29 mol 198 unq 0 iso 1 dist 8.89259 4.05005 9.7384 5.70176 9.56078 8.86056 numMergedOcc 0
30 mol 198 unq 1 iso 0 dist 9.7384 11.3368 9.95733 8.86056 9.56078 9.65484 numMergedOcc 0
31 mol 198 unq 1 iso 1 dist 9.95733 11.3368 9.7384 9.65484 9.56078 8.86056 numMergedOcc 0
32 mol 198 unq 2 iso 0 dist 9.7384 8.73251 9.72176 8.86056 9.56078 5.64576 numMergedOcc 0
33 mol 198 unq 2 iso 1 dist 9.72176 8.73251 9.7384 5.64576 9.56078 8.86056 numMergedOcc 0
34 mol 198 unq 1 iso 0 dist 8.89259 11.578 9.95733 5.70176 9.56078 9.65484 numMergedOcc 0
35 mol 198 unq 1 iso 1 dist 9.95733 11.578 8.89259 9.65484 9.56078 5.70176 numMergedOcc 0
36 mol 198 unq 2 iso 0 dist 8.89259 8.0554 9.72176 5.70176 9.56078 5.64576 numMergedOcc 0
37 mol 198 unq 2 iso 1 dist 9.72176 8.0554 8.89259 5.64576 9.56078 5.70176 numMergedOcc 0
38 mol 198 unq 2 iso 0 dist 9.95733 4.51529 9.72176 9.65484 9.56078 5.64576 numMergedOcc 0
39 mol 198 unq 2 iso 1 dist 9.72176 4.51529 9.95733 5.64576 9.56078 9.65484 numMergedOcc 0
40 mol 219 unq 0 iso 0 dist 8.15287 16.2337 8.72341 8.72864 6.44817 12.6546 numMergedOcc 0
41 mol 219 unq 0 iso 1 dist 8.72341 16.2337 8.15287 12.6546 6.44817 8.72864 numMergedOcc 0
42 mol 219 unq 1 iso 0 dist 8.15287 16.2337 8.72341 12.8837 9.36547 8.54055 numMergedOcc 0
43 mol 219 unq 1 iso 1 dist 8.72341 16.2337 8.15287 8.54055 9.36547 12.8837 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 7.01175 6.47501 7.50074 4.06041 9.0654 9.59994 numMergedOcc 0
45 mol 266 unq 0 iso 1 dist 7.50074 6.47501 7.01175 9.59994 9.0654 4.06041 numMergedOcc 0
46 mol 286 unq 0 iso 0 dist 9.96295 11.5223 8.95266 13.3451 9.2551 13.6536 numMergedOcc 0
47 mol 286 unq 0 iso 1 dist 8.95266 11.5223 9.96295 13.6536 9.2551 13.3451 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 6.08044 6.13067 8.8956 10.8556 9.62446 12.7029 numMergedOcc 0
49 mol 287 unq 0 iso 1 dist 8.8956 6.13067 6.08044 12.7029 9.62446 10.8556 numMergedOcc 0
50 mol 287 unq 1 iso 0 dist 6.08044 6.13067 8.8956 10.4719 9.99681 5.57075 numMergedOcc 0
51 mol 287 unq 1 iso 1 dist 8.8956 6.13067 6.08044 5.57075 9.99681 10.4719 numMergedOcc 0
52 mol 288 unq 0 iso 0 dist 6.08044 6.13067 8.8956 10.8556 9.62446 12.7029 numMergedOcc 0
53 mol 288 unq 0 iso 1 dist 8.8956 6.13067 6.08044 12.7029 9.62446 10.8556 numMergedOcc 0
54 mol 288 unq 1 iso 0 dist 6.08044 6.13067 8.8956 10.4719 9.99681 5.57075 numMergedOcc 0
55 mol 288 unq 1 iso 1 dist 8.8956 6.13067 6.08044 5.57075 9.99681 10.4719 numMergedOcc 0
56 mol 289 unq 0 iso 0 dist 6.08044 6.13067 8.8956 10.8556 9.62446 12.7029 numMergedOcc 0
57 mol 289 unq 0 iso 1 dist 8.8956 6.13067 6.08044 12.7029 9.62446 10.8556 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 6.08044 6.13067 8.8956 10.4719 9.99681 5.57075 numMergedOcc 0
59 mol 289 unq 1 iso 1 dist 8.8956 6.13067 6.08044 5.57075 9.99681 10.4719 numMergedOcc 0
