0 mol 7 unq 0 iso 0 dist 8.77648 9.28571 8.4061 15.7038 16.2804 8.05125 12.0771 13.848 5.96526 6.0323 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 6.0323 8.05125 5.96526 15.7038 12.0771 9.28571 16.2804 13.848 8.4061 8.77648 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.17591 7.13608 6.97536 13.7123 16.3601 9.46895 15.2557 13.9739 8.79217 7.12013 numMergedOcc 0
3 mol 32 unq 0 iso 1 dist 7.12013 9.46895 8.79217 13.7123 15.2557 7.13608 16.3601 13.9739 6.97536 9.17591 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 9.3239 8.03504 4.60627 9.40104 8.34632 7.87739 11.447 5.20168 5.55161 5.62629 numMergedOcc 0
5 mol 55 unq 0 iso 1 dist 5.62629 7.87739 5.55161 9.40104 11.447 8.03504 8.34632 5.20168 4.60627 9.3239 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 4.76283 6.14513 5.01302 3.843 4.87423 7.12853 10.8022 8.67175 9.08204 7.75237 numMergedOcc 0
7 mol 71 unq 0 iso 1 dist 7.75237 7.12853 9.08204 3.843 10.8022 6.14513 4.87423 8.67175 5.01302 4.76283 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 12.3241 8.66342 5.68894 12.1654 5.47475 7.92924 7.53504 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 7.53504 5.68894 7.92924 12.3241 12.1654 6.7939 8.66342 5.47475 5.4653 7.02351 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 12.3241 8.66342 5.68894 10.4593 4.4628 7.09483 7.21285 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 7.21285 5.68894 7.09483 12.3241 10.4593 6.7939 8.66342 4.4628 5.4653 7.02351 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 7.02351 6.7939 5.4653 12.3241 8.66342 5.68894 16.7273 11.6754 11.341 6.95094 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 6.95094 5.68894 11.341 12.3241 16.7273 6.7939 8.66342 11.6754 5.4653 7.02351 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 7.02351 6.85356 4.63063 12.3241 8.66342 7.32265 12.1654 5.47475 8.30433 7.53504 numMergedOcc 0
15 mol 73 unq 3 iso 1 dist 7.53504 7.32265 8.30433 12.3241 12.1654 6.85356 8.66342 5.47475 4.63063 7.02351 numMergedOcc 0
16 mol 73 unq 4 iso 0 dist 7.02351 6.85356 4.63063 12.3241 8.66342 7.32265 10.4593 4.4628 4.68175 7.21285 numMergedOcc 0
17 mol 73 unq 4 iso 1 dist 7.21285 7.32265 4.68175 12.3241 10.4593 6.85356 8.66342 4.4628 4.63063 7.02351 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 7.02351 6.85356 4.63063 12.3241 8.66342 7.32265 16.7273 11.6754 10.0459 6.95094 numMergedOcc 0
19 mol 73 unq 5 iso 1 dist 6.95094 7.32265 10.0459 12.3241 16.7273 6.85356 8.66342 11.6754 4.63063 7.02351 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 8.87856 6.62952 11.2334 5.4823 11.3126 4.3521 6.2491 11.9551 7.89992 3.59451 numMergedOcc 0
21 mol 98 unq 0 iso 1 dist 3.59451 4.3521 7.89992 5.4823 6.2491 6.62952 11.3126 11.9551 11.2334 8.87856 numMergedOcc 0
22 mol 122 unq 0 iso 0 dist 9.21665 8.68384 13.4677 7.69764 14.791 9.00365 14.2336 18.5276 7.687 9.80092 numMergedOcc 0
23 mol 122 unq 0 iso 1 dist 9.80092 9.00365 7.687 7.69764 14.2336 8.68384 14.791 18.5276 13.4677 9.21665 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 6.4922 8.15734 6.69705 10.0801 11.8716 6.00896 14.1149 11.7396 6.01484 7.94564 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 7.94564 6.00896 6.01484 10.0801 14.1149 8.15734 11.8716 11.7396 6.69705 6.4922 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 6.4922 8.15734 6.69705 10.0801 11.8716 6.00896 18.1155 17.0089 10.6104 9.21999 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 9.21999 6.00896 10.6104 10.0801 18.1155 8.15734 11.8716 17.0089 6.69705 6.4922 numMergedOcc 0
28 mol 209 unq 0 iso 0 dist 8.65539 8.12326 10.2501 9.5473 16.3357 8.20431 12.9945 15.9208 5.86856 7.757 numMergedOcc 0
29 mol 209 unq 0 iso 1 dist 7.757 8.20431 5.86856 9.5473 12.9945 8.12326 16.3357 15.9208 10.2501 8.65539 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 9.74776 9.984 8.70221 10.3111 13.5453 8.08702 14.3572 12.3617 4.56028 9.56271 numMergedOcc 0
31 mol 220 unq 0 iso 1 dist 9.56271 8.08702 4.56028 10.3111 14.3572 9.984 13.5453 12.3617 8.70221 9.74776 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 9.27643 7.66323 4.85368 10.6003 5.00735 9.32781 12.9267 5.38279 7.91665 6.73755 numMergedOcc 0
33 mol 230 unq 0 iso 1 dist 6.73755 9.32781 7.91665 10.6003 12.9267 7.66323 5.00735 5.38279 4.85368 9.27643 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 8.87355 8.52827 10.2078 7.00034 8.18179 7.14122 12.022 11.5781 4.8005 7.45556 numMergedOcc 0
35 mol 279 unq 0 iso 1 dist 7.45556 7.14122 4.8005 7.00034 12.022 8.52827 8.18179 11.5781 10.2078 8.87355 numMergedOcc 0
36 mol 279 unq 1 iso 0 dist 8.87355 8.52827 10.2078 7.00034 8.18179 7.14122 12.0184 11.6836 8.61009 5.25218 numMergedOcc 0
37 mol 279 unq 1 iso 1 dist 5.25218 7.14122 8.61009 7.00034 12.0184 8.52827 8.18179 11.6836 10.2078 8.87355 numMergedOcc 0
