0 mol 1 unq 0 iso 0 dist 9.40282 9.35554 13.3466 8.93702 5.11735 9.01967 7.48521 6.86701 10.8992 5.96833 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 7.37356 9.2978 10.1903 8.25905 7.04695 5.01478 6.82841 5.65084 9.45949 5.04478 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 8.90024 5.06502 7.84444 8.01951 12.2025 6.59001 6.66407 10.0168 10.0025 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 6.78532 5.89973 7.84444 8.01951 7.68348 6.59001 6.66407 10.9975 10.0025 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 5.48831 9.39178 5.82403 7.95972 7.17489 12.6531 10.6185 9.55118 15.0406 6.7272 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 5.48831 9.39178 5.82403 7.95972 7.17489 12.6531 4.89334 9.10345 14.0306 7.64009 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 8.86938 7.42474 14.5975 6.85365 12.8768 6.35364 9.50897 8.47988 16.8523 13.9563 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 8.86938 7.42474 14.5975 6.85365 12.8768 6.35364 11.9673 8.0427 19.0564 17.873 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 7.42474 8.86938 14.5975 6.85365 6.35364 12.8768 4.9759 9.05166 13.1243 8.91262 numMergedOcc 0
9 mol 112 unq 3 iso 0 dist 7.42474 8.86938 14.5975 6.85365 6.35364 12.8768 6.59976 5.56994 15.3113 6.12922 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.00172 8.66715 8.18495 4.95674 9.53782 12.0863 7.44092 8.77023 12.5855 8.55349 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.31276 5.79157 11.6064 5.98435 5.31077 6.74887 6.67639 9.10524 12.1179 10.3419 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.31276 5.79157 11.6064 5.98435 5.31077 6.74887 4.72407 6.42772 9.1998 6.44575 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 8.31276 5.79157 11.6064 8.80672 14.0644 12.6989 6.67639 9.10524 12.1179 5.73203 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 8.31276 5.79157 11.6064 8.80672 14.0644 12.6989 4.72407 6.42772 9.1998 11.8267 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 8.31276 5.50687 13.7309 5.98435 5.31077 10.9715 6.67639 9.10524 9.69086 10.3419 numMergedOcc 0
16 mol 134 unq 5 iso 0 dist 8.31276 5.50687 13.7309 5.98435 5.31077 10.9715 4.72407 6.42772 8.70621 6.44575 numMergedOcc 0
17 mol 134 unq 6 iso 0 dist 8.31276 5.50687 13.7309 8.80672 14.0644 8.96357 6.67639 9.10524 9.69086 5.73203 numMergedOcc 0
18 mol 134 unq 7 iso 0 dist 8.31276 5.50687 13.7309 8.80672 14.0644 8.96357 4.72407 6.42772 8.70621 11.8267 numMergedOcc 0
19 mol 134 unq 8 iso 0 dist 8.31276 7.30919 14.069 5.98435 5.31077 11.4638 6.67639 9.10524 9.00918 10.3419 numMergedOcc 0
20 mol 134 unq 9 iso 0 dist 8.31276 7.30919 14.069 5.98435 5.31077 11.4638 4.72407 6.42772 11.8779 6.44575 numMergedOcc 0
21 mol 134 unq 10 iso 0 dist 8.31276 7.30919 14.069 8.80672 14.0644 5.9915 6.67639 9.10524 9.00918 5.73203 numMergedOcc 0
22 mol 134 unq 11 iso 0 dist 8.31276 7.30919 14.069 8.80672 14.0644 5.9915 4.72407 6.42772 11.8779 11.8267 numMergedOcc 0
23 mol 134 unq 12 iso 0 dist 5.79157 8.31276 11.6064 5.98435 6.74887 5.31077 4.72407 9.1998 6.42772 6.44575 numMergedOcc 0
24 mol 134 unq 13 iso 0 dist 5.79157 8.31276 11.6064 5.98435 6.74887 5.31077 7.97297 8.69531 9.70973 7.43401 numMergedOcc 0
25 mol 134 unq 14 iso 0 dist 5.79157 8.31276 11.6064 8.80672 12.6989 14.0644 4.72407 9.1998 6.42772 11.8267 numMergedOcc 0
26 mol 134 unq 15 iso 0 dist 5.79157 8.31276 11.6064 8.80672 12.6989 14.0644 7.97297 8.69531 9.70973 16.4934 numMergedOcc 0
27 mol 134 unq 16 iso 0 dist 5.79157 5.50687 7.09823 5.98435 6.74887 10.9715 4.72407 9.1998 8.70621 6.44575 numMergedOcc 0
28 mol 134 unq 17 iso 0 dist 5.79157 5.50687 7.09823 5.98435 6.74887 10.9715 7.97297 8.69531 10.3432 7.43401 numMergedOcc 0
29 mol 134 unq 18 iso 0 dist 5.79157 5.50687 7.09823 8.80672 12.6989 8.96357 4.72407 9.1998 8.70621 11.8267 numMergedOcc 0
30 mol 134 unq 19 iso 0 dist 5.79157 5.50687 7.09823 8.80672 12.6989 8.96357 7.97297 8.69531 10.3432 16.4934 numMergedOcc 0
31 mol 134 unq 20 iso 0 dist 5.79157 7.30919 8.25185 5.98435 6.74887 11.4638 4.72407 9.1998 11.8779 6.44575 numMergedOcc 0
32 mol 134 unq 21 iso 0 dist 5.79157 7.30919 8.25185 5.98435 6.74887 11.4638 7.97297 8.69531 14.7874 7.43401 numMergedOcc 0
33 mol 134 unq 22 iso 0 dist 5.79157 7.30919 8.25185 8.80672 12.6989 5.9915 4.72407 9.1998 11.8779 11.8267 numMergedOcc 0
34 mol 134 unq 23 iso 0 dist 5.79157 7.30919 8.25185 8.80672 12.6989 5.9915 7.97297 8.69531 14.7874 16.4934 numMergedOcc 0
35 mol 134 unq 24 iso 0 dist 5.50687 8.31276 13.7309 5.98435 10.9715 5.31077 4.4987 5.35237 10.6728 10.0977 numMergedOcc 0
36 mol 134 unq 25 iso 0 dist 5.50687 8.31276 13.7309 5.98435 10.9715 5.31077 4.72407 8.70621 6.42772 6.44575 numMergedOcc 0
37 mol 134 unq 26 iso 0 dist 5.50687 8.31276 13.7309 8.80672 8.96357 14.0644 4.4987 5.35237 10.6728 6.57379 numMergedOcc 0
38 mol 134 unq 27 iso 0 dist 5.50687 8.31276 13.7309 8.80672 8.96357 14.0644 4.72407 8.70621 6.42772 11.8267 numMergedOcc 0
39 mol 134 unq 28 iso 0 dist 5.50687 5.79157 7.09823 5.98435 10.9715 6.74887 4.4987 5.35237 9.71716 10.0977 numMergedOcc 0
40 mol 134 unq 29 iso 0 dist 5.50687 5.79157 7.09823 5.98435 10.9715 6.74887 4.72407 8.70621 9.1998 6.44575 numMergedOcc 0
41 mol 134 unq 30 iso 0 dist 5.50687 5.79157 7.09823 8.80672 8.96357 12.6989 4.4987 5.35237 9.71716 6.57379 numMergedOcc 0
42 mol 134 unq 31 iso 0 dist 5.50687 5.79157 7.09823 8.80672 8.96357 12.6989 4.72407 8.70621 9.1998 11.8267 numMergedOcc 0
43 mol 134 unq 32 iso 0 dist 5.50687 7.30919 6.90348 5.98435 10.9715 11.4638 4.4987 5.35237 7.99477 10.0977 numMergedOcc 0
44 mol 134 unq 33 iso 0 dist 5.50687 7.30919 6.90348 5.98435 10.9715 11.4638 4.72407 8.70621 11.8779 6.44575 numMergedOcc 0
45 mol 134 unq 34 iso 0 dist 5.50687 7.30919 6.90348 8.80672 8.96357 5.9915 4.4987 5.35237 7.99477 6.57379 numMergedOcc 0
46 mol 134 unq 35 iso 0 dist 5.50687 7.30919 6.90348 8.80672 8.96357 5.9915 4.72407 8.70621 11.8779 11.8267 numMergedOcc 0
47 mol 134 unq 36 iso 0 dist 7.30919 8.31276 14.069 5.98435 11.4638 5.31077 6.67639 9.00918 9.10524 10.3419 numMergedOcc 0
48 mol 134 unq 37 iso 0 dist 7.30919 8.31276 14.069 5.98435 11.4638 5.31077 4.4987 7.99477 10.6728 10.0977 numMergedOcc 0
49 mol 134 unq 38 iso 0 dist 7.30919 8.31276 14.069 8.80672 5.9915 14.0644 6.67639 9.00918 9.10524 5.73203 numMergedOcc 0
50 mol 134 unq 39 iso 0 dist 7.30919 8.31276 14.069 8.80672 5.9915 14.0644 4.4987 7.99477 10.6728 6.57379 numMergedOcc 0
51 mol 134 unq 40 iso 0 dist 7.30919 5.79157 8.25185 5.98435 11.4638 6.74887 6.67639 9.00918 12.1179 10.3419 numMergedOcc 0
52 mol 134 unq 41 iso 0 dist 7.30919 5.79157 8.25185 5.98435 11.4638 6.74887 4.4987 7.99477 9.71716 10.0977 numMergedOcc 0
53 mol 134 unq 42 iso 0 dist 7.30919 5.79157 8.25185 8.80672 5.9915 12.6989 6.67639 9.00918 12.1179 5.73203 numMergedOcc 0
54 mol 134 unq 43 iso 0 dist 7.30919 5.79157 8.25185 8.80672 5.9915 12.6989 4.4987 7.99477 9.71716 6.57379 numMergedOcc 0
55 mol 134 unq 44 iso 0 dist 7.30919 5.50687 6.90348 5.98435 11.4638 10.9715 6.67639 9.00918 9.69086 10.3419 numMergedOcc 0
56 mol 134 unq 45 iso 0 dist 7.30919 5.50687 6.90348 5.98435 11.4638 10.9715 4.4987 7.99477 5.35237 10.0977 numMergedOcc 0
57 mol 134 unq 46 iso 0 dist 7.30919 5.50687 6.90348 8.80672 5.9915 8.96357 6.67639 9.00918 9.69086 5.73203 numMergedOcc 0
58 mol 134 unq 47 iso 0 dist 7.30919 5.50687 6.90348 8.80672 5.9915 8.96357 4.4987 7.99477 5.35237 6.57379 numMergedOcc 0
59 mol 154 unq 0 iso 0 dist 7.34207 6.44195 9.41666 5.81632 6.53652 5.83431 13.1744 8.33439 15.6983 14.6576 numMergedOcc 0
60 mol 197 unq 0 iso 0 dist 6.18446 9.96544 5.43601 6.58245 5.2908 6.23998 9.66766 9.10817 6.86828 9.27218 numMergedOcc 0
61 mol 197 unq 1 iso 0 dist 6.18446 9.96544 5.43601 6.58245 5.2908 6.23998 7.69814 9.73548 15.043 11.3514 numMergedOcc 0
62 mol 197 unq 2 iso 0 dist 9.96544 6.18446 5.43601 6.58245 6.23998 5.2908 9.66766 6.86828 9.10817 9.27218 numMergedOcc 0
63 mol 206 unq 0 iso 0 dist 6.22964 5.82039 7.08143 8.65687 5.94313 4.8585 10.9033 9.21377 14.3439 13.1287 numMergedOcc 0
