0 mol 28 unq 0 iso 0 dist 9.00593 13.3238 8.75468 10.4507 7.62989 4.35316 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 9.00593 10.4507 7.62989 13.3238 8.75468 4.35316 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 9.00593 13.3238 8.75468 3.45063 5.70238 10.5327 numMergedOcc 0
3 mol 28 unq 1 iso 1 dist 9.00593 3.45063 5.70238 13.3238 8.75468 10.5327 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 9.00593 10.4507 7.62989 3.45063 5.70238 8.14155 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 9.00593 3.45063 5.70238 10.4507 7.62989 8.14155 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.27883 13.9292 9.31883 12.332 9.475 3.56021 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 7.27883 12.332 9.475 13.9292 9.31883 3.56021 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 7.27883 13.9292 9.31883 10.6903 8.34011 5.8452 numMergedOcc 0
9 mol 34 unq 1 iso 1 dist 7.27883 10.6903 8.34011 13.9292 9.31883 5.8452 numMergedOcc 0
10 mol 34 unq 2 iso 0 dist 7.27883 13.9292 9.31883 7.10408 6.29842 14.6218 numMergedOcc 0
11 mol 34 unq 2 iso 1 dist 7.27883 7.10408 6.29842 13.9292 9.31883 14.6218 numMergedOcc 0
12 mol 34 unq 1 iso 0 dist 7.27883 12.332 9.475 10.6903 8.34011 5.86087 numMergedOcc 0
13 mol 34 unq 1 iso 1 dist 7.27883 10.6903 8.34011 12.332 9.475 5.86087 numMergedOcc 0
14 mol 34 unq 2 iso 0 dist 7.27883 12.332 9.475 7.10408 6.29842 14.7594 numMergedOcc 0
15 mol 34 unq 2 iso 1 dist 7.27883 7.10408 6.29842 12.332 9.475 14.7594 numMergedOcc 0
16 mol 34 unq 2 iso 0 dist 7.27883 10.6903 8.34011 7.10408 6.29842 11.4891 numMergedOcc 0
17 mol 34 unq 2 iso 1 dist 7.27883 7.10408 6.29842 10.6903 8.34011 11.4891 numMergedOcc 0
18 mol 39 unq 0 iso 0 dist 6.12212 6.18479 8.55553 3.81369 5.00813 7.67651 numMergedOcc 0
19 mol 39 unq 0 iso 1 dist 6.12212 3.81369 5.00813 6.18479 8.55553 7.67651 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 6.53468 12.7709 8.59337 13.1304 7.66942 8.86418 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 6.53468 13.1304 7.66942 12.7709 8.59337 8.86418 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 5.90954 7.78675 8.59337 7.76917 7.66942 8.86418 numMergedOcc 0
23 mol 73 unq 1 iso 1 dist 5.90954 7.76917 7.66942 7.78675 8.59337 8.86418 numMergedOcc 0
24 mol 111 unq 0 iso 0 dist 9.82548 14.3069 4.72339 11.6056 6.48902 6.94371 numMergedOcc 0
25 mol 111 unq 0 iso 1 dist 9.82548 11.6056 6.48902 14.3069 4.72339 6.94371 numMergedOcc 0
26 mol 111 unq 1 iso 0 dist 9.82548 14.3069 4.72339 10.8119 7.21505 8.72808 numMergedOcc 0
27 mol 111 unq 1 iso 1 dist 9.82548 10.8119 7.21505 14.3069 4.72339 8.72808 numMergedOcc 0
28 mol 111 unq 1 iso 0 dist 9.82548 11.6056 6.48902 10.8119 7.21505 10.4972 numMergedOcc 0
29 mol 111 unq 1 iso 1 dist 9.82548 10.8119 7.21505 11.6056 6.48902 10.4972 numMergedOcc 0
30 mol 128 unq 0 iso 0 dist 6.17362 3.81254 7.12765 6.13996 6.28471 4.97239 numMergedOcc 0
31 mol 128 unq 0 iso 1 dist 6.17362 6.13996 6.28471 3.81254 7.12765 4.97239 numMergedOcc 0
32 mol 128 unq 1 iso 0 dist 6.4416 7.67031 7.12765 4.62046 6.28471 4.97239 numMergedOcc 0
33 mol 128 unq 1 iso 1 dist 6.4416 4.62046 6.28471 7.67031 7.12765 4.97239 numMergedOcc 0
34 mol 128 unq 2 iso 0 dist 6.91935 4.79627 7.12765 4.769 6.28471 4.97239 numMergedOcc 0
35 mol 128 unq 2 iso 1 dist 6.91935 4.769 6.28471 4.79627 7.12765 4.97239 numMergedOcc 0
36 mol 147 unq 0 iso 0 dist 6.4752 11.3398 7.19893 6.78721 6.37938 5.61172 numMergedOcc 0
37 mol 147 unq 0 iso 1 dist 6.4752 6.78721 6.37938 11.3398 7.19893 5.61172 numMergedOcc 0
38 mol 182 unq 0 iso 0 dist 9.52012 6.13129 9.19506 4.38036 9.94904 9.21043 numMergedOcc 0
39 mol 182 unq 0 iso 1 dist 9.52012 4.38036 9.94904 6.13129 9.19506 9.21043 numMergedOcc 0
40 mol 182 unq 1 iso 0 dist 9.52012 6.13129 9.19506 9.10159 9.30893 13.7057 numMergedOcc 0
41 mol 182 unq 1 iso 1 dist 9.52012 9.10159 9.30893 6.13129 9.19506 13.7057 numMergedOcc 0
42 mol 182 unq 1 iso 0 dist 9.52012 4.38036 9.94904 9.10159 9.30893 6.78442 numMergedOcc 0
43 mol 182 unq 1 iso 1 dist 9.52012 9.10159 9.30893 4.38036 9.94904 6.78442 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 9.6309 8.71194 6.62738 5.07361 7.13254 5.51725 numMergedOcc 0
45 mol 218 unq 0 iso 1 dist 9.6309 5.07361 7.13254 8.71194 6.62738 5.51725 numMergedOcc 0
46 mol 218 unq 1 iso 0 dist 9.86462 7.57188 5.4621 11.3371 8.91819 6.94905 numMergedOcc 0
47 mol 218 unq 1 iso 1 dist 9.86462 11.3371 8.91819 7.57188 5.4621 6.94905 numMergedOcc 0
48 mol 250 unq 0 iso 0 dist 9.43554 7.81555 7.5999 9.41799 9.50976 8.07034 numMergedOcc 0
49 mol 250 unq 0 iso 1 dist 9.43554 9.41799 9.50976 7.81555 7.5999 8.07034 numMergedOcc 0
50 mol 250 unq 1 iso 0 dist 9.21681 16.7301 7.5999 16.2129 9.50976 8.07034 numMergedOcc 0
51 mol 250 unq 1 iso 1 dist 9.21681 16.2129 9.50976 16.7301 7.5999 8.07034 numMergedOcc 0
52 mol 252 unq 0 iso 0 dist 9.81593 18.713 9.76731 15.0079 8.38599 6.82915 numMergedOcc 0
53 mol 252 unq 0 iso 1 dist 9.81593 15.0079 8.38599 18.713 9.76731 6.82915 numMergedOcc 0
54 mol 252 unq 1 iso 0 dist 9.78248 3.91004 9.76731 3.76825 8.38599 6.82915 numMergedOcc 0
55 mol 252 unq 1 iso 1 dist 9.78248 3.76825 8.38599 3.91004 9.76731 6.82915 numMergedOcc 0
