0 mol 58 unq 0 iso 0 dist 9.97769 5.23069 9.32706 11.884 9.10675 12.0104 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 9.32706 5.23069 9.97769 12.0104 9.10675 11.884 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.97769 7.5247 9.08221 11.884 9.10675 5.87468 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 9.08221 7.5247 9.97769 5.87468 9.10675 11.884 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 9.32706 10.0658 9.08221 12.0104 9.10675 5.87468 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 9.08221 10.0658 9.32706 5.87468 9.10675 12.0104 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 9.69044 8.62608 6.9103 14.3608 9.19512 5.9487 numMergedOcc 0
7 mol 62 unq 0 iso 1 dist 6.9103 8.62608 9.69044 5.9487 9.19512 14.3608 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 9.8703 14.224 7.39665 10.9724 8.19932 10.6721 numMergedOcc 0
9 mol 68 unq 0 iso 1 dist 7.39665 14.224 9.8703 10.6721 8.19932 10.9724 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 5.99857 8.99811 6.9362 8.67853 9.08745 10.8149 numMergedOcc 0
11 mol 69 unq 0 iso 1 dist 6.9362 8.99811 5.99857 10.8149 9.08745 8.67853 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.27883 6.59884 7.7152 4.73066 4.3439 4.20834 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 7.7152 6.59884 8.27883 4.20834 4.3439 4.73066 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 9.02706 4.8896 8.47988 6.35793 5.92828 4.69658 numMergedOcc 0
15 mol 112 unq 0 iso 1 dist 8.47988 4.8896 9.02706 4.69658 5.92828 6.35793 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 9.39168 4.8896 8.0427 6.35793 9.1247 4.69658 numMergedOcc 0
17 mol 112 unq 1 iso 1 dist 8.0427 4.8896 9.39168 4.69658 9.1247 6.35793 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.10524 14.069 9.00918 14.9489 6.76852 9.39407 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 9.00918 14.069 9.10524 9.39407 6.76852 14.9489 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 5.35237 6.90348 7.99477 7.89899 4.94473 9.39407 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 7.99477 6.90348 5.35237 9.39407 4.94473 7.89899 numMergedOcc 0
22 mol 142 unq 0 iso 0 dist 7.81207 5.32922 6.14151 4.05822 5.42679 4.7832 numMergedOcc 0
23 mol 142 unq 0 iso 1 dist 6.14151 5.32922 7.81207 4.7832 5.42679 4.05822 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 6.59889 7.65448 6.70693 10.6994 8.60651 4.68615 numMergedOcc 0
25 mol 152 unq 0 iso 1 dist 6.70693 7.65448 6.59889 4.68615 8.60651 10.6994 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 8.90571 7.09479 6.61112 9.14919 9.17458 12.2442 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 6.61112 7.09479 8.90571 12.2442 9.17458 9.14919 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 8.90571 7.09479 6.61112 9.11577 7.36794 11.7398 numMergedOcc 0
29 mol 186 unq 1 iso 1 dist 6.61112 7.09479 8.90571 11.7398 7.36794 9.11577 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 7.21137 10.817 8.4844 9.8496 7.68686 4.69695 numMergedOcc 0
31 mol 205 unq 0 iso 1 dist 8.4844 10.817 7.21137 4.69695 7.68686 9.8496 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 8.1945 13.3965 6.50998 14.2198 8.74463 9.72811 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 6.50998 13.3965 8.1945 9.72811 8.74463 14.2198 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 6.29377 7.218 5.70635 3.99115 8.60314 10.0427 numMergedOcc 0
35 mol 235 unq 0 iso 1 dist 5.70635 7.218 6.29377 10.0427 8.60314 3.99115 numMergedOcc 0
36 mol 255 unq 0 iso 0 dist 6.87333 8.04381 9.86207 6.08042 8.7958 13.4617 numMergedOcc 0
37 mol 255 unq 0 iso 1 dist 9.86207 8.04381 6.87333 13.4617 8.7958 6.08042 numMergedOcc 0
38 mol 264 unq 0 iso 0 dist 5.90924 7.07277 5.90058 8.3189 8.55386 3.35448 numMergedOcc 0
39 mol 264 unq 0 iso 1 dist 5.90058 7.07277 5.90924 3.35448 8.55386 8.3189 numMergedOcc 0
40 mol 264 unq 1 iso 0 dist 5.90924 8.96144 9.58916 8.3189 8.55386 16.639 numMergedOcc 0
41 mol 264 unq 1 iso 1 dist 9.58916 8.96144 5.90924 16.639 8.55386 8.3189 numMergedOcc 0
42 mol 264 unq 1 iso 0 dist 5.90058 14.3597 9.58916 3.35448 8.55386 16.639 numMergedOcc 0
43 mol 264 unq 1 iso 1 dist 9.58916 14.3597 5.90058 16.639 8.55386 3.35448 numMergedOcc 0
44 mol 264 unq 2 iso 0 dist 9.19754 4.92077 8.29262 10.1415 9.87744 11.5587 numMergedOcc 0
45 mol 264 unq 2 iso 1 dist 8.29262 4.92077 9.19754 11.5587 9.87744 10.1415 numMergedOcc 0
