0 mol 55 unq 0 iso 0 dist 8.34632 5.62629 5.20168 7.87739 4.60627 5.55161 9.40104 9.3239 11.447 8.03504 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 5.62629 8.34632 5.20168 7.87739 5.55161 4.60627 5.90603 6.15118 11.1898 10.4637 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 4.87423 7.75237 8.67175 7.12853 5.01302 9.08204 6.17026 6.71332 12.9793 10.8468 numMergedOcc 0
3 mol 71 unq 1 iso 0 dist 4.87423 7.75237 8.67175 7.12853 5.01302 9.08204 3.843 4.76283 10.8022 6.14513 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.53504 8.66342 5.47475 5.68894 7.92924 5.4653 13.6926 7.84699 8.40844 13.2901 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.53504 8.66342 5.47475 7.32265 8.30433 4.63063 13.6926 7.84699 8.40844 10.8175 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.53504 7.21285 5.05066 5.68894 7.92924 7.09483 13.6926 7.84699 6.99156 13.2901 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 7.53504 7.21285 5.05066 7.32265 8.30433 4.68175 13.6926 7.84699 6.99156 10.8175 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 7.53504 6.95094 9.51715 5.68894 7.92924 11.341 13.6926 7.84699 12.2348 13.2901 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 7.53504 6.95094 9.51715 7.32265 8.30433 10.0459 13.6926 7.84699 12.2348 10.8175 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 8.66342 7.53504 5.47475 5.68894 5.4653 7.92924 13.6926 8.40844 7.84699 13.2901 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 8.66342 7.53504 5.47475 5.68894 5.4653 7.92924 12.3241 7.02351 12.1654 6.7939 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 8.66342 7.53504 5.47475 7.32265 4.63063 8.30433 13.6926 8.40844 7.84699 10.8175 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 8.66342 7.53504 5.47475 7.32265 4.63063 8.30433 12.3241 7.02351 12.1654 6.85356 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 8.66342 7.21285 4.4628 5.68894 5.4653 7.09483 13.6926 8.40844 6.99156 13.2901 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 8.66342 7.21285 4.4628 5.68894 5.4653 7.09483 12.3241 7.02351 10.4593 6.7939 numMergedOcc 0
16 mol 73 unq 12 iso 0 dist 8.66342 7.21285 4.4628 7.32265 4.63063 4.68175 13.6926 8.40844 6.99156 10.8175 numMergedOcc 0
17 mol 73 unq 13 iso 0 dist 8.66342 7.21285 4.4628 7.32265 4.63063 4.68175 12.3241 7.02351 10.4593 6.85356 numMergedOcc 0
18 mol 73 unq 14 iso 0 dist 8.66342 6.95094 11.6754 5.68894 5.4653 11.341 13.6926 8.40844 12.2348 13.2901 numMergedOcc 0
19 mol 73 unq 15 iso 0 dist 8.66342 6.95094 11.6754 5.68894 5.4653 11.341 12.3241 7.02351 16.7273 6.7939 numMergedOcc 0
20 mol 73 unq 16 iso 0 dist 8.66342 6.95094 11.6754 7.32265 4.63063 10.0459 13.6926 8.40844 12.2348 10.8175 numMergedOcc 0
21 mol 73 unq 17 iso 0 dist 8.66342 6.95094 11.6754 7.32265 4.63063 10.0459 12.3241 7.02351 16.7273 6.85356 numMergedOcc 0
22 mol 73 unq 18 iso 0 dist 7.21285 7.53504 5.05066 5.68894 7.09483 7.92924 13.6926 6.99156 7.84699 13.2901 numMergedOcc 0
23 mol 73 unq 19 iso 0 dist 7.21285 7.53504 5.05066 7.32265 4.68175 8.30433 13.6926 6.99156 7.84699 10.8175 numMergedOcc 0
24 mol 73 unq 20 iso 0 dist 7.21285 8.66342 4.4628 5.68894 7.09483 5.4653 13.6926 6.99156 8.40844 13.2901 numMergedOcc 0
25 mol 73 unq 21 iso 0 dist 7.21285 8.66342 4.4628 7.32265 4.68175 4.63063 13.6926 6.99156 8.40844 10.8175 numMergedOcc 0
26 mol 73 unq 22 iso 0 dist 7.21285 6.95094 7.64038 5.68894 7.09483 11.341 13.6926 6.99156 12.2348 13.2901 numMergedOcc 0
27 mol 73 unq 23 iso 0 dist 7.21285 6.95094 7.64038 7.32265 4.68175 10.0459 13.6926 6.99156 12.2348 10.8175 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 6.2491 8.87856 11.9551 7.88143 12.7928 6.62867 5.4823 3.59451 11.3126 10.5625 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 6.2491 8.87856 11.9551 6.62952 7.89992 11.2334 5.4823 3.59451 11.3126 4.3521 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 5.94835 6.76947 6.26321 7.09439 5.16703 6.81258 11.1418 8.21112 13.8569 12.5963 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 5.94835 6.76947 6.26321 7.09439 5.16703 6.81258 10.4273 7.06533 11.3296 12.1949 numMergedOcc 0
32 mol 211 unq 0 iso 0 dist 9.45365 7.14732 9.23863 8.66183 13.6185 4.53525 4.78922 7.15386 10.0622 12.8712 numMergedOcc 0
33 mol 211 unq 1 iso 0 dist 9.45365 7.14732 9.23863 8.66183 13.6185 4.53525 8.05917 7.73993 11.9605 15.098 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 5.51565 4.3362 5.88344 6.89587 4.4922 5.7733 6.08531 9.74776 10.181 12.3506 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 9.92947 7.46044 16.6444 5.07376 12.9085 4.49347 5.639 8.68767 12.7302 10.6332 numMergedOcc 0
36 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 9.32781 4.85368 7.91665 10.6003 9.27643 12.9267 7.66323 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 8.18179 7.45556 11.5781 7.14122 10.2078 4.8005 7.00034 8.87355 12.022 8.52827 numMergedOcc 0
38 mol 279 unq 1 iso 0 dist 8.18179 7.45556 11.5781 7.14122 10.2078 4.8005 5.38839 9.51355 12.3758 12.4687 numMergedOcc 0
39 mol 279 unq 2 iso 0 dist 8.18179 5.25218 11.6836 7.14122 10.2078 8.61009 7.00034 8.87355 12.0184 8.52827 numMergedOcc 0
40 mol 279 unq 3 iso 0 dist 8.18179 5.25218 11.6836 7.14122 10.2078 8.61009 5.38839 9.51355 8.31465 12.4687 numMergedOcc 0
41 mol 279 unq 4 iso 0 dist 5.25218 8.18179 11.6836 7.14122 8.61009 10.2078 5.38839 8.31465 9.51355 12.4687 numMergedOcc 0
42 mol 279 unq 5 iso 0 dist 5.25218 8.18179 11.6836 7.14122 8.61009 10.2078 11.2306 7.88102 15.3751 16.1654 numMergedOcc 0
43 mol 279 unq 6 iso 0 dist 5.25218 7.45556 5.67158 7.14122 8.61009 4.8005 5.38839 8.31465 12.3758 12.4687 numMergedOcc 0
44 mol 279 unq 7 iso 0 dist 5.25218 7.45556 5.67158 7.14122 8.61009 4.8005 11.2306 7.88102 12.7567 16.1654 numMergedOcc 0
