0 mol 55 unq 0 iso 0 dist 8.34632 5.62629 5.20168 7.87739 4.60627 5.55161 numMergedOcc 0
1 mol 55 unq 0 iso 1 dist 5.62629 8.34632 5.20168 7.87739 5.55161 4.60627 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 4.87423 7.75237 8.67175 7.12853 5.01302 9.08204 numMergedOcc 0
3 mol 71 unq 0 iso 1 dist 7.75237 4.87423 8.67175 7.12853 9.08204 5.01302 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.53504 8.66342 5.47475 5.68894 7.92924 5.4653 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 8.66342 7.53504 5.47475 5.68894 5.4653 7.92924 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.53504 8.66342 5.47475 7.32265 8.30433 4.63063 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 8.66342 7.53504 5.47475 7.32265 4.63063 8.30433 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 7.53504 7.21285 5.05066 5.68894 7.92924 7.09483 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 7.21285 7.53504 5.05066 5.68894 7.09483 7.92924 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.53504 7.21285 5.05066 7.32265 8.30433 4.68175 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 7.21285 7.53504 5.05066 7.32265 4.68175 8.30433 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 7.53504 6.95094 9.51715 5.68894 7.92924 11.341 numMergedOcc 0
13 mol 73 unq 4 iso 1 dist 6.95094 7.53504 9.51715 5.68894 11.341 7.92924 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 7.53504 6.95094 9.51715 7.32265 8.30433 10.0459 numMergedOcc 0
15 mol 73 unq 5 iso 1 dist 6.95094 7.53504 9.51715 7.32265 10.0459 8.30433 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 8.66342 7.21285 4.4628 5.68894 5.4653 7.09483 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 7.21285 8.66342 4.4628 5.68894 7.09483 5.4653 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 8.66342 7.21285 4.4628 7.32265 4.63063 4.68175 numMergedOcc 0
19 mol 73 unq 3 iso 1 dist 7.21285 8.66342 4.4628 7.32265 4.68175 4.63063 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 8.66342 6.95094 11.6754 5.68894 5.4653 11.341 numMergedOcc 0
21 mol 73 unq 4 iso 1 dist 6.95094 8.66342 11.6754 5.68894 11.341 5.4653 numMergedOcc 0
22 mol 73 unq 5 iso 0 dist 8.66342 6.95094 11.6754 7.32265 4.63063 10.0459 numMergedOcc 0
23 mol 73 unq 5 iso 1 dist 6.95094 8.66342 11.6754 7.32265 10.0459 4.63063 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 7.21285 6.95094 7.64038 5.68894 7.09483 11.341 numMergedOcc 0
25 mol 73 unq 4 iso 1 dist 6.95094 7.21285 7.64038 5.68894 11.341 7.09483 numMergedOcc 0
26 mol 73 unq 5 iso 0 dist 7.21285 6.95094 7.64038 7.32265 4.68175 10.0459 numMergedOcc 0
27 mol 73 unq 5 iso 1 dist 6.95094 7.21285 7.64038 7.32265 10.0459 4.68175 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 8.87856 6.2491 11.9551 7.88143 6.62867 12.7928 numMergedOcc 0
29 mol 98 unq 0 iso 1 dist 6.2491 8.87856 11.9551 7.88143 12.7928 6.62867 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 8.87856 6.2491 11.9551 6.62952 11.2334 7.89992 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 6.2491 8.87856 11.9551 6.62952 7.89992 11.2334 numMergedOcc 0
32 mol 101 unq 0 iso 0 dist 9.1109 5.51185 6.8125 7.11476 4.39441 4.84084 numMergedOcc 0
33 mol 101 unq 0 iso 1 dist 5.51185 9.1109 6.8125 7.11476 4.84084 4.39441 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 7.94564 9.21999 5.63574 6.00896 6.01484 10.6104 numMergedOcc 0
35 mol 134 unq 0 iso 1 dist 9.21999 7.94564 5.63574 6.00896 10.6104 6.01484 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 7.99446 7.21636 5.72609 9.54774 8.8525 12.5216 numMergedOcc 0
37 mol 152 unq 0 iso 1 dist 7.21636 7.99446 5.72609 9.54774 12.5216 8.8525 numMergedOcc 0
38 mol 180 unq 0 iso 0 dist 8.86377 8.47156 10.1976 9.68557 14.9732 6.88051 numMergedOcc 0
39 mol 180 unq 0 iso 1 dist 8.47156 8.86377 10.1976 9.68557 6.88051 14.9732 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 5.94835 6.76947 6.26321 7.09439 5.16703 6.81258 numMergedOcc 0
41 mol 205 unq 0 iso 1 dist 6.76947 5.94835 6.26321 7.09439 6.81258 5.16703 numMergedOcc 0
42 mol 210 unq 0 iso 0 dist 7.68078 9.26518 14.3861 8.94889 12.3142 13.7365 numMergedOcc 0
43 mol 210 unq 0 iso 1 dist 9.26518 7.68078 14.3861 8.94889 13.7365 12.3142 numMergedOcc 0
44 mol 211 unq 0 iso 0 dist 9.45365 7.14732 9.23863 8.66183 13.6185 4.53525 numMergedOcc 0
45 mol 211 unq 0 iso 1 dist 7.14732 9.45365 9.23863 8.66183 4.53525 13.6185 numMergedOcc 0
46 mol 220 unq 0 iso 0 dist 4.3362 5.51565 5.88344 6.89587 5.7733 4.4922 numMergedOcc 0
47 mol 220 unq 0 iso 1 dist 5.51565 4.3362 5.88344 6.89587 4.4922 5.7733 numMergedOcc 0
48 mol 223 unq 0 iso 0 dist 9.86372 7.70946 4.44825 7.96628 4.73988 4.78255 numMergedOcc 0
49 mol 223 unq 0 iso 1 dist 7.70946 9.86372 4.44825 7.96628 4.78255 4.73988 numMergedOcc 0
50 mol 223 unq 1 iso 0 dist 9.86372 7.70946 4.44825 7.76053 8.36102 5.43913 numMergedOcc 0
51 mol 223 unq 1 iso 1 dist 7.70946 9.86372 4.44825 7.76053 5.43913 8.36102 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 9.92947 7.46044 16.6444 5.07376 12.9085 4.49347 numMergedOcc 0
53 mol 224 unq 0 iso 1 dist 7.46044 9.92947 16.6444 5.07376 4.49347 12.9085 numMergedOcc 0
54 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 9.32781 4.85368 7.91665 numMergedOcc 0
55 mol 230 unq 0 iso 1 dist 6.73755 5.00735 5.38279 9.32781 7.91665 4.85368 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 8.83777 9.42812 11.4925 6.40125 6.08499 10.3278 numMergedOcc 0
57 mol 277 unq 0 iso 1 dist 9.42812 8.83777 11.4925 6.40125 10.3278 6.08499 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 8.18179 7.45556 11.5781 7.14122 10.2078 4.8005 numMergedOcc 0
59 mol 279 unq 0 iso 1 dist 7.45556 8.18179 11.5781 7.14122 4.8005 10.2078 numMergedOcc 0
60 mol 279 unq 1 iso 0 dist 8.18179 5.25218 11.6836 7.14122 10.2078 8.61009 numMergedOcc 0
61 mol 279 unq 1 iso 1 dist 5.25218 8.18179 11.6836 7.14122 8.61009 10.2078 numMergedOcc 0
62 mol 279 unq 1 iso 0 dist 7.45556 5.25218 5.67158 7.14122 4.8005 8.61009 numMergedOcc 0
63 mol 279 unq 1 iso 1 dist 5.25218 7.45556 5.67158 7.14122 8.61009 4.8005 numMergedOcc 0
64 mol 280 unq 0 iso 0 dist 9.047 9.9227 11.5166 6.38295 14.0927 11.4101 numMergedOcc 0
65 mol 280 unq 0 iso 1 dist 9.9227 9.047 11.5166 6.38295 11.4101 14.0927 numMergedOcc 0
