0 mol 19 unq 0 iso 0 dist 9.95212 8.54034 9.79414 6.60936 13.4008 6.41656 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 4.74809 5.99466 10.2902 6.05053 5.86181 9.07213 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 5.86181 9.07213 10.2902 6.05053 4.74809 5.99466 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 7.43882 5.99466 5.22924 6.05053 6.3253 9.07213 numMergedOcc 0
4 mol 20 unq 3 iso 0 dist 6.3253 9.07213 5.22924 6.05053 7.43882 5.99466 numMergedOcc 0
5 mol 20 unq 4 iso 0 dist 7.31198 5.99466 9.92781 6.05053 5.80568 9.07213 numMergedOcc 0
6 mol 20 unq 5 iso 0 dist 5.80568 9.07213 9.92781 6.05053 7.31198 5.99466 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 5.95834 7.26334 4.08755 4.15946 4.2121 6.19899 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 5.95834 7.26334 4.08755 9.92026 6.72323 6.61696 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 5.95834 5.78532 6.86136 4.15946 4.2121 8.49709 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 4.2121 6.19899 4.08755 4.15946 5.95834 7.26334 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 4.2121 6.19899 4.08755 6.16544 6.72323 6.61696 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 4.2121 8.49709 6.86136 4.15946 5.95834 5.78532 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 6.72323 6.61696 4.08755 9.92026 5.95834 7.26334 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 6.72323 6.61696 4.08755 6.16544 4.2121 6.19899 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 6.25843 6.53269 9.62058 4.43692 9.86839 9.81524 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 8.88938 6.53269 5.38592 4.43692 10.4292 9.81524 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 8.03296 8.02443 3.81317 7.21092 9.26979 9.09458 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 5.82754 8.02443 4.08868 7.21092 9.05679 9.09458 numMergedOcc 0
19 mol 79 unq 2 iso 0 dist 8.87742 8.02443 6.06691 7.21092 4.93468 9.09458 numMergedOcc 0
20 mol 79 unq 3 iso 0 dist 9.26979 9.09458 3.81317 7.21092 8.03296 8.02443 numMergedOcc 0
21 mol 79 unq 4 iso 0 dist 9.05679 9.09458 4.08868 7.21092 5.82754 8.02443 numMergedOcc 0
22 mol 79 unq 5 iso 0 dist 4.93468 9.09458 6.06691 7.21092 8.87742 8.02443 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 9.60622 8.98912 11.9597 5.74171 9.91054 8.93769 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 9.91054 8.93769 11.9597 5.74171 9.60622 8.98912 numMergedOcc 0
25 mol 93 unq 0 iso 0 dist 8.74378 9.19977 11.7638 4.37353 8.89417 7.28831 numMergedOcc 0
26 mol 93 unq 1 iso 0 dist 8.74378 9.19977 11.7638 11.3265 17.8011 9.71411 numMergedOcc 0
27 mol 93 unq 2 iso 0 dist 8.89417 7.28831 11.7638 4.37353 8.74378 9.19977 numMergedOcc 0
28 mol 93 unq 3 iso 0 dist 8.89417 7.28831 11.7638 12.5773 17.8011 9.71411 numMergedOcc 0
29 mol 93 unq 4 iso 0 dist 9.95255 7.28831 5.93472 4.37353 11.3682 9.19977 numMergedOcc 0
30 mol 93 unq 5 iso 0 dist 9.95255 7.28831 5.93472 12.5773 14.105 9.71411 numMergedOcc 0
31 mol 98 unq 0 iso 0 dist 7.36769 9.25444 3.92737 10.2754 6.88901 8.46823 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 7.36769 9.84703 3.94967 10.2754 6.88901 4.62494 numMergedOcc 0
33 mol 98 unq 2 iso 0 dist 6.88901 8.46823 3.92737 10.2754 7.36769 9.25444 numMergedOcc 0
34 mol 98 unq 3 iso 0 dist 6.88901 4.62494 3.94967 10.2754 7.36769 9.84703 numMergedOcc 0
35 mol 100 unq 0 iso 0 dist 9.5057 6.59691 12.48 4.36434 12.71 6.55173 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 6.83404 5.92302 10.0208 6.51325 11.8798 5.29898 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 7.32087 9.06571 5.3698 9.87773 8.86197 9.88897 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 8.86197 9.88897 5.3698 9.87773 7.32087 9.06571 numMergedOcc 0
39 mol 181 unq 2 iso 0 dist 5.94379 9.88897 9.56782 9.87773 13.134 9.06571 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 7.22883 9.43306 10.273 9.53592 11.8112 8.4848 numMergedOcc 0
41 mol 192 unq 0 iso 0 dist 8.26288 9.40971 11.3394 4.20321 10.5991 9.8428 numMergedOcc 0
42 mol 192 unq 1 iso 0 dist 6.60053 9.40971 5.80651 4.20321 9.36796 9.8428 numMergedOcc 0
43 mol 192 unq 2 iso 0 dist 9.36796 9.8428 5.80651 4.20321 6.60053 9.40971 numMergedOcc 0
44 mol 225 unq 0 iso 0 dist 8.37739 9.82043 5.8463 4.23863 9.47237 8.22922 numMergedOcc 0
45 mol 225 unq 1 iso 0 dist 8.37739 6.94762 3.94409 5.51027 10.6612 7.7086 numMergedOcc 0
46 mol 225 unq 2 iso 0 dist 9.47237 8.22922 5.8463 4.23863 8.37739 9.82043 numMergedOcc 0
47 mol 225 unq 3 iso 0 dist 9.47237 6.94762 6.88465 5.51027 11.3252 7.7086 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 7.75216 9.65868 10.7442 10.7637 12.0228 8.60027 numMergedOcc 0
49 mol 274 unq 1 iso 0 dist 6.88827 8.60027 13.3632 10.7637 10.6742 9.65868 numMergedOcc 0
50 mol 274 unq 2 iso 0 dist 9.16942 8.60027 5.39432 10.7637 10.083 9.65868 numMergedOcc 0
51 mol 292 unq 0 iso 0 dist 8.25485 7.83214 6.56416 6.86413 9.21964 9.59929 numMergedOcc 0
