0 mol 26 unq 0 iso 0 dist 9.44899 8.54885 4.87741 7.37634 16.6458 14.5663 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.41403 8.90473 13.2728 7.65918 12.9685 9.64848 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.79074 8.54885 16.1501 7.37634 3.9368 14.5663 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.28723 8.90473 9.97479 7.65918 10.3322 9.64848 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.87499 7.15015 6.58841 8.15347 13.4047 9.57664 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 8.87499 3.68549 7.19972 8.15347 13.4047 6.61952 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 8.2359 7.15015 11.9061 8.15347 9.29547 9.57664 numMergedOcc 0
7 mol 30 unq 3 iso 0 dist 8.2359 3.68549 6.67111 8.15347 9.29547 6.61952 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 8.29997 8.27307 5.08122 5.38363 6.25587 8.67853 numMergedOcc 0
9 mol 69 unq 1 iso 0 dist 8.29997 6.92837 9.69519 5.38363 6.25587 10.8149 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.90372 9.29446 13.9318 9.9934 3.51784 15.5077 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.90372 5.8992 7.73661 9.9934 3.51784 6.67525 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 6.09124 9.29446 4.81535 9.9934 11.452 15.5077 numMergedOcc 0
13 mol 78 unq 3 iso 0 dist 6.09124 5.8992 6.83613 9.9934 11.452 6.67525 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 8.77374 9.86416 5.09079 7.88265 11.6654 10.2694 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.23558 7.2443 7.46917 6.36631 12.827 6.54263 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 9.23558 7.2443 7.46917 6.24308 10.6354 3.92558 numMergedOcc 0
17 mol 113 unq 2 iso 0 dist 9.23558 7.2443 7.46917 6.66182 3.38043 7.07985 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 8.88105 9.66837 8.53662 7.37255 5.94889 7.72421 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 8.51999 6.28961 8.10912 7.07933 3.86496 5.38859 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.30192 9.52413 11.3614 8.86574 12.5023 4.04122 numMergedOcc 0
21 mol 189 unq 0 iso 0 dist 8.91697 8.59972 6.76001 8.49359 5.8269 4.28607 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 5.64116 6.11505 9.7129 4.72209 3.95968 7.35363 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 7.78107 8.95233 9.70376 8.41062 6.12764 9.95258 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 7.78107 8.95233 9.70376 8.93793 9.83826 3.61669 numMergedOcc 0
25 mol 230 unq 0 iso 0 dist 8.27047 6.03738 9.39461 8.32382 9.61033 4.65404 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 4.80928 6.90245 10.2076 7.65636 11.3639 4.07839 numMergedOcc 0
27 mol 241 unq 1 iso 0 dist 9.92576 6.90245 10.1832 7.65636 6.51662 4.07839 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 5.87353 9.07206 7.58851 6.26593 6.77462 13.3122 numMergedOcc 0
29 mol 264 unq 1 iso 0 dist 7.87214 9.07206 13.6874 6.26593 3.91293 13.3122 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 5.67503 8.49415 4.75685 9.40917 3.8221 5.94366 numMergedOcc 0
31 mol 265 unq 1 iso 0 dist 5.67503 8.49415 4.75685 5.44039 3.5393 7.71667 numMergedOcc 0
32 mol 265 unq 2 iso 0 dist 8.35562 8.49415 11.5105 9.40917 8.11011 5.94366 numMergedOcc 0
33 mol 265 unq 3 iso 0 dist 8.35562 8.49415 11.5105 5.44039 3.99477 7.71667 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.00434 6.95233 9.65978 7.96613 11.4637 14.5358 numMergedOcc 0
35 mol 266 unq 1 iso 0 dist 9.00434 9.61741 18.4434 7.96613 11.4637 13.7682 numMergedOcc 0
36 mol 266 unq 2 iso 0 dist 9.00434 5.61056 13.7874 7.96613 11.4637 11.879 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 6.76971 9.27716 11.6589 7.8046 11.6467 12.8596 numMergedOcc 0
38 mol 281 unq 1 iso 0 dist 9.68891 9.27716 17.1255 7.8046 9.44473 12.8596 numMergedOcc 0
