0 mol 55 unq 0 iso 0 dist 8.34632 5.62629 5.20168 9.40104 9.3239 11.447 7.87739 4.60627 5.55161 8.03504 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 4.87423 7.75237 8.67175 3.843 4.76283 10.8022 7.12853 5.01302 9.08204 6.14513 numMergedOcc 0
2 mol 71 unq 1 iso 0 dist 4.87423 7.75237 8.67175 3.843 4.76283 10.8022 9.1134 4.64256 11.836 7.4392 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.84699 8.40844 5.47475 13.6926 7.53504 8.66342 13.2901 7.92924 5.4653 5.68894 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.84699 8.40844 5.47475 13.6926 7.53504 8.66342 10.8175 8.30433 4.63063 7.32265 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.84699 6.99156 5.05066 13.6926 7.53504 7.21285 13.2901 7.92924 7.09483 5.68894 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 7.84699 6.99156 5.05066 13.6926 7.53504 7.21285 10.8175 8.30433 4.68175 7.32265 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.40844 7.84699 5.47475 14.5875 7.02351 12.1654 13.2901 5.4653 7.92924 6.7939 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 8.40844 7.84699 5.47475 14.5875 7.02351 12.1654 10.8175 4.63063 8.30433 6.85356 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 8.40844 7.84699 5.47475 13.6926 8.66342 7.53504 13.2901 5.4653 7.92924 5.68894 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 8.40844 7.84699 5.47475 13.6926 8.66342 7.53504 10.8175 4.63063 8.30433 7.32265 numMergedOcc 0
11 mol 73 unq 8 iso 0 dist 8.40844 6.99156 4.4628 14.5875 7.02351 10.4593 13.2901 5.4653 7.09483 6.7939 numMergedOcc 0
12 mol 73 unq 9 iso 0 dist 8.40844 6.99156 4.4628 14.5875 7.02351 10.4593 10.8175 4.63063 4.68175 6.85356 numMergedOcc 0
13 mol 73 unq 10 iso 0 dist 8.40844 6.99156 4.4628 13.6926 8.66342 7.21285 13.2901 5.4653 7.09483 5.68894 numMergedOcc 0
14 mol 73 unq 11 iso 0 dist 8.40844 6.99156 4.4628 13.6926 8.66342 7.21285 10.8175 4.63063 4.68175 7.32265 numMergedOcc 0
15 mol 73 unq 12 iso 0 dist 6.99156 7.84699 5.05066 13.6926 7.21285 7.53504 13.2901 7.09483 7.92924 5.68894 numMergedOcc 0
16 mol 73 unq 13 iso 0 dist 6.99156 7.84699 5.05066 13.6926 7.21285 7.53504 10.8175 4.68175 8.30433 7.32265 numMergedOcc 0
17 mol 73 unq 14 iso 0 dist 6.99156 8.40844 4.4628 13.6926 7.21285 8.66342 13.2901 7.09483 5.4653 5.68894 numMergedOcc 0
18 mol 73 unq 15 iso 0 dist 6.99156 8.40844 4.4628 13.6926 7.21285 8.66342 10.8175 4.68175 4.63063 7.32265 numMergedOcc 0
19 mol 73 unq 16 iso 0 dist 8.66342 7.53504 5.47475 12.3241 7.02351 12.1654 5.68894 5.4653 7.92924 6.7939 numMergedOcc 0
20 mol 73 unq 17 iso 0 dist 8.66342 7.53504 5.47475 12.3241 7.02351 12.1654 7.32265 4.63063 8.30433 6.85356 numMergedOcc 0
21 mol 73 unq 18 iso 0 dist 8.66342 7.21285 4.4628 12.3241 7.02351 10.4593 5.68894 5.4653 7.09483 6.7939 numMergedOcc 0
22 mol 73 unq 19 iso 0 dist 8.66342 7.21285 4.4628 12.3241 7.02351 10.4593 7.32265 4.63063 4.68175 6.85356 numMergedOcc 0
23 mol 73 unq 20 iso 0 dist 8.66342 6.95094 11.6754 12.3241 7.02351 16.7273 5.68894 5.4653 11.341 6.7939 numMergedOcc 0
24 mol 73 unq 21 iso 0 dist 8.66342 6.95094 11.6754 12.3241 7.02351 16.7273 7.32265 4.63063 10.0459 6.85356 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 6.2491 8.87856 11.9551 5.4823 3.59451 11.3126 6.62952 7.89992 11.2334 4.3521 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 5.94835 6.76947 6.26321 11.1418 8.21112 13.8569 13.9502 8.82544 14.5765 6.02053 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 5.94835 6.76947 6.26321 10.4273 7.06533 11.3296 13.9502 8.82544 14.5765 7.41663 numMergedOcc 0
28 mol 211 unq 0 iso 0 dist 7.15386 9.63472 10.7154 4.78922 9.45365 10.2433 12.8712 13.6185 14.8745 8.66183 numMergedOcc 0
29 mol 211 unq 1 iso 0 dist 7.73993 5.42004 10.7154 8.05917 9.45365 10.2433 15.098 13.6185 14.8745 8.66183 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 5.51565 4.3362 5.88344 6.08531 9.74776 10.181 11.0474 8.70221 13.4455 9.984 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 9.92947 7.46044 16.6444 5.639 8.68767 12.7302 10.5916 4.42976 17.6661 8.18749 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 7.7163 9.2 5.75133 5.51581 9.06201 12.9943 12.1661 9.9943 15.4761 8.96263 numMergedOcc 0
33 mol 224 unq 2 iso 0 dist 7.7163 9.2 5.75133 5.51581 9.06201 12.9943 10.826 7.83342 13.5001 7.35677 numMergedOcc 0
34 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 10.6003 9.27643 12.9267 9.32781 4.85368 7.91665 7.66323 numMergedOcc 0
35 mol 260 unq 0 iso 0 dist 8.3298 8.66784 5.54154 10.3809 9.05149 13.9209 13.9457 11.3568 14.8824 8.13605 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 8.18179 7.45556 11.5781 7.00034 8.87355 12.022 7.14122 10.2078 4.8005 8.52827 numMergedOcc 0
37 mol 279 unq 1 iso 0 dist 8.18179 5.25218 11.6836 7.00034 8.87355 12.0184 7.14122 10.2078 8.61009 8.52827 numMergedOcc 0
38 mol 279 unq 2 iso 0 dist 9.51355 8.31465 11.6836 9.39866 8.87355 12.0184 12.4687 10.2078 8.61009 8.52827 numMergedOcc 0
39 mol 279 unq 3 iso 0 dist 9.51355 8.31465 11.6836 5.38839 8.18179 5.25218 12.4687 10.2078 8.61009 7.14122 numMergedOcc 0
40 mol 279 unq 4 iso 0 dist 8.31465 9.51355 11.6836 5.38839 5.25218 8.18179 12.4687 8.61009 10.2078 7.14122 numMergedOcc 0
41 mol 279 unq 5 iso 0 dist 7.88102 7.93694 4.88223 11.2306 5.25218 9.78494 16.1654 8.61009 12.1406 7.14122 numMergedOcc 0
