0 mol 43 unq 0 iso 0 dist 7.67459 6.30607 9.21978 9.69698 8.03754 11.3575 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 7.67459 9.69698 8.03754 6.30607 9.21978 11.3575 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 8.03504 8.38443 6.65254 7.60951 8.97965 5.43882 numMergedOcc 0
3 mol 55 unq 0 iso 1 dist 8.03504 7.60951 8.97965 8.38443 6.65254 5.43882 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 8.03504 8.38443 6.65254 7.3265 8.94235 6.69537 numMergedOcc 0
5 mol 55 unq 1 iso 1 dist 8.03504 7.3265 8.94235 8.38443 6.65254 6.69537 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 8.03504 7.60951 8.97965 7.3265 8.94235 10.066 numMergedOcc 0
7 mol 55 unq 1 iso 1 dist 8.03504 7.3265 8.94235 7.60951 8.97965 10.066 numMergedOcc 0
8 mol 55 unq 2 iso 0 dist 7.87739 9.41439 6.65254 13.3483 8.97965 5.43882 numMergedOcc 0
9 mol 55 unq 2 iso 1 dist 7.87739 13.3483 8.97965 9.41439 6.65254 5.43882 numMergedOcc 0
10 mol 55 unq 3 iso 0 dist 7.87739 9.41439 6.65254 5.33255 8.94235 6.69537 numMergedOcc 0
11 mol 55 unq 3 iso 1 dist 7.87739 5.33255 8.94235 9.41439 6.65254 6.69537 numMergedOcc 0
12 mol 55 unq 3 iso 0 dist 7.87739 13.3483 8.97965 5.33255 8.94235 10.066 numMergedOcc 0
13 mol 55 unq 3 iso 1 dist 7.87739 5.33255 8.94235 13.3483 8.97965 10.066 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 5.45684 11.6779 8.75668 12.0048 9.64871 10.6748 numMergedOcc 0
15 mol 64 unq 0 iso 1 dist 5.45684 12.0048 9.64871 11.6779 8.75668 10.6748 numMergedOcc 0
16 mol 64 unq 1 iso 0 dist 5.45684 11.6779 8.75668 10.7116 9.95118 14.7857 numMergedOcc 0
17 mol 64 unq 1 iso 1 dist 5.45684 10.7116 9.95118 11.6779 8.75668 14.7857 numMergedOcc 0
18 mol 64 unq 1 iso 0 dist 5.45684 12.0048 9.64871 10.7116 9.95118 5.87491 numMergedOcc 0
19 mol 64 unq 1 iso 1 dist 5.45684 10.7116 9.95118 12.0048 9.64871 5.87491 numMergedOcc 0
20 mol 64 unq 2 iso 0 dist 7.76644 10.1207 8.75668 15.2828 9.64871 10.6748 numMergedOcc 0
21 mol 64 unq 2 iso 1 dist 7.76644 15.2828 9.64871 10.1207 8.75668 10.6748 numMergedOcc 0
22 mol 64 unq 3 iso 0 dist 7.76644 10.1207 8.75668 15.7534 9.95118 14.7857 numMergedOcc 0
23 mol 64 unq 3 iso 1 dist 7.76644 15.7534 9.95118 10.1207 8.75668 14.7857 numMergedOcc 0
24 mol 64 unq 3 iso 0 dist 7.76644 15.2828 9.64871 15.7534 9.95118 5.87491 numMergedOcc 0
25 mol 64 unq 3 iso 1 dist 7.76644 15.7534 9.95118 15.2828 9.64871 5.87491 numMergedOcc 0
26 mol 73 unq 0 iso 0 dist 6.7939 10.3774 7.23812 10.539 5.36012 12.0013 numMergedOcc 0
27 mol 73 unq 0 iso 1 dist 6.7939 10.539 5.36012 10.3774 7.23812 12.0013 numMergedOcc 0
28 mol 73 unq 1 iso 0 dist 8.44695 12.6626 7.23812 7.03229 5.36012 12.0013 numMergedOcc 0
29 mol 73 unq 1 iso 1 dist 8.44695 7.03229 5.36012 12.6626 7.23812 12.0013 numMergedOcc 0
30 mol 73 unq 2 iso 0 dist 5.68894 9.64124 7.23812 4.91508 5.36012 12.0013 numMergedOcc 0
31 mol 73 unq 2 iso 1 dist 5.68894 4.91508 5.36012 9.64124 7.23812 12.0013 numMergedOcc 0
32 mol 172 unq 0 iso 0 dist 7.44084 5.78278 5.44495 10.5031 9.54742 5.1625 numMergedOcc 0
33 mol 172 unq 0 iso 1 dist 7.44084 10.5031 9.54742 5.78278 5.44495 5.1625 numMergedOcc 0
34 mol 172 unq 1 iso 0 dist 5.28889 5.25252 5.44495 9.10992 9.54742 5.1625 numMergedOcc 0
35 mol 172 unq 1 iso 1 dist 5.28889 9.10992 9.54742 5.25252 5.44495 5.1625 numMergedOcc 0
36 mol 211 unq 0 iso 0 dist 9.24739 7.59113 9.26395 11.3709 7.3748 5.81924 numMergedOcc 0
37 mol 211 unq 0 iso 1 dist 9.24739 11.3709 7.3748 7.59113 9.26395 5.81924 numMergedOcc 0
38 mol 226 unq 0 iso 0 dist 8.24741 12.6212 9.30975 10.78 9.14028 5.16662 numMergedOcc 0
39 mol 226 unq 0 iso 1 dist 8.24741 10.78 9.14028 12.6212 9.30975 5.16662 numMergedOcc 0
40 mol 226 unq 1 iso 0 dist 5.07958 9.83787 9.30975 11.3247 9.14028 5.16662 numMergedOcc 0
41 mol 226 unq 1 iso 1 dist 5.07958 11.3247 9.14028 9.83787 9.30975 5.16662 numMergedOcc 0
42 mol 226 unq 2 iso 0 dist 6.19519 6.6871 9.30975 6.19485 9.14028 5.16662 numMergedOcc 0
43 mol 226 unq 2 iso 1 dist 6.19519 6.19485 9.14028 6.6871 9.30975 5.16662 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 7.449 5.56089 6.29774 7.18168 9.28258 6.68485 numMergedOcc 0
45 mol 239 unq 0 iso 1 dist 7.449 7.18168 9.28258 5.56089 6.29774 6.68485 numMergedOcc 0
46 mol 239 unq 1 iso 0 dist 8.98789 8.75635 6.29774 5.85469 9.28258 6.68485 numMergedOcc 0
47 mol 239 unq 1 iso 1 dist 8.98789 5.85469 9.28258 8.75635 6.29774 6.68485 numMergedOcc 0
48 mol 248 unq 0 iso 0 dist 7.51278 6.14956 9.27041 5.68749 8.98788 10.8143 numMergedOcc 0
49 mol 248 unq 0 iso 1 dist 7.51278 5.68749 8.98788 6.14956 9.27041 10.8143 numMergedOcc 0
50 mol 261 unq 0 iso 0 dist 7.3406 9.20564 9.77784 4.69366 5.00128 10.1239 numMergedOcc 0
51 mol 261 unq 0 iso 1 dist 7.3406 4.69366 5.00128 9.20564 9.77784 10.1239 numMergedOcc 0
52 mol 280 unq 0 iso 0 dist 6.38295 8.30978 5.41639 5.80223 7.96485 5.51836 numMergedOcc 0
53 mol 280 unq 0 iso 1 dist 6.38295 5.80223 7.96485 8.30978 5.41639 5.51836 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 9.24592 11.3986 8.19169 8.598 7.7743 13.1959 numMergedOcc 0
55 mol 287 unq 0 iso 1 dist 9.24592 8.598 7.7743 11.3986 8.19169 13.1959 numMergedOcc 0
56 mol 287 unq 1 iso 0 dist 9.24592 11.3986 8.19169 10.9452 8.71506 11.5655 numMergedOcc 0
57 mol 287 unq 1 iso 1 dist 9.24592 10.9452 8.71506 11.3986 8.19169 11.5655 numMergedOcc 0
58 mol 287 unq 1 iso 0 dist 9.24592 8.598 7.7743 10.9452 8.71506 4.8356 numMergedOcc 0
59 mol 287 unq 1 iso 1 dist 9.24592 10.9452 8.71506 8.598 7.7743 4.8356 numMergedOcc 0
60 mol 288 unq 0 iso 0 dist 9.24592 11.3986 8.19169 8.598 7.7743 13.1959 numMergedOcc 0
61 mol 288 unq 0 iso 1 dist 9.24592 8.598 7.7743 11.3986 8.19169 13.1959 numMergedOcc 0
62 mol 288 unq 1 iso 0 dist 9.24592 11.3986 8.19169 10.9452 8.71506 11.5655 numMergedOcc 0
63 mol 288 unq 1 iso 1 dist 9.24592 10.9452 8.71506 11.3986 8.19169 11.5655 numMergedOcc 0
64 mol 288 unq 1 iso 0 dist 9.24592 8.598 7.7743 10.9452 8.71506 4.8356 numMergedOcc 0
65 mol 288 unq 1 iso 1 dist 9.24592 10.9452 8.71506 8.598 7.7743 4.8356 numMergedOcc 0
66 mol 289 unq 0 iso 0 dist 9.24592 11.3986 8.19169 8.598 7.7743 13.1959 numMergedOcc 0
67 mol 289 unq 0 iso 1 dist 9.24592 8.598 7.7743 11.3986 8.19169 13.1959 numMergedOcc 0
68 mol 289 unq 1 iso 0 dist 9.24592 11.3986 8.19169 10.9452 8.71506 11.5655 numMergedOcc 0
69 mol 289 unq 1 iso 1 dist 9.24592 10.9452 8.71506 11.3986 8.19169 11.5655 numMergedOcc 0
70 mol 289 unq 1 iso 0 dist 9.24592 8.598 7.7743 10.9452 8.71506 4.8356 numMergedOcc 0
71 mol 289 unq 1 iso 1 dist 9.24592 10.9452 8.71506 8.598 7.7743 4.8356 numMergedOcc 0
