0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 10.1354 10.3603 8.31812 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 10.6533 7.38017 6.20227 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 5.86882 10.0889 5.47982 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 5.86882 6.07553 5.47982 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 7.6222 8.80127 4.87192 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 7.36323 9.24958 4.33963 11.7026 8.80127 4.87192 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 7.57578 6.90155 9.36158 7.19007 12.9796 5.44124 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 7.17969 6.90155 10.1525 7.19007 12.3239 5.44124 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 7.31767 5.81959 7.63409 5.52519 11.272 5.44124 numMergedOcc 0
9 mol 25 unq 3 iso 0 dist 6.03987 5.81959 8.4666 5.52519 9.90362 5.44124 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 9.56076 15.1703 9.53772 numMergedOcc 0
11 mol 56 unq 1 iso 0 dist 8.66265 6.77886 6.03623 11.2895 12.3361 7.3576 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 8.00278 16.2514 9.22853 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 8.00278 13.1245 9.22853 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 10.4159 13.1245 9.22853 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 9.75218 7.04044 8.35241 8.00278 16.0336 9.22853 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 5.46695 8.77199 6.00564 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 7.95579 8.00777 5.08358 6.62562 8.81824 6.00564 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 6.19965 7.1589 5.08358 5.46695 8.81824 6.00564 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 6.42493 11.8946 8.81779 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.87172 7.99857 7.61939 4.55137 8.20715 8.81779 numMergedOcc 0
21 mol 120 unq 0 iso 0 dist 8.75408 8.93905 7.27181 12.4334 14.1585 9.23243 numMergedOcc 0
22 mol 120 unq 1 iso 0 dist 6.44653 8.93905 10.5192 12.4334 16.1123 9.23243 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 9.29945 8.0154 4.24624 13.4456 6.62757 6.59925 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 12.2848 11.394 6.61806 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 6.03031 8.44861 5.28092 9.73907 7.23959 7.85966 numMergedOcc 0
26 mol 205 unq 2 iso 0 dist 7.26832 5.60393 5.28092 9.41884 11.394 6.61806 numMergedOcc 0
27 mol 205 unq 3 iso 0 dist 7.26832 5.60393 5.28092 12.3578 7.23959 7.85966 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 6.18308 5.37446 9.59996 7.09658 10.7105 9.40123 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.65138 6.38157 7.38025 10.2428 14.454 7.48626 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 7.14453 6.38157 9.35273 10.2428 15.5922 7.48626 numMergedOcc 0
31 mol 214 unq 2 iso 0 dist 8.85478 6.38157 5.63388 10.2428 11.1906 7.48626 numMergedOcc 0
32 mol 214 unq 3 iso 0 dist 8.82096 8.46327 10.2399 15.5459 18.7398 9.734 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 6.21901 12.8593 7.14633 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 13.798 10.1659 9.94302 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 6.29394 12.8593 7.14633 numMergedOcc 0
36 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 10.9445 10.1659 9.94302 numMergedOcc 0
37 mol 227 unq 4 iso 0 dist 7.09863 8.38865 12.9587 6.21901 13.0188 7.14633 numMergedOcc 0
38 mol 227 unq 5 iso 0 dist 7.09863 8.38865 12.9587 13.798 14.039 9.94302 numMergedOcc 0
39 mol 230 unq 0 iso 0 dist 6.7547 6.41286 6.20661 10.3804 13.259 7.81987 numMergedOcc 0
40 mol 252 unq 0 iso 0 dist 8.1148 6.11473 9.32326 7.15243 10.9802 6.5058 numMergedOcc 0
41 mol 252 unq 1 iso 0 dist 8.1148 8.47784 5.89666 7.15243 10.9802 6.77555 numMergedOcc 0
42 mol 252 unq 2 iso 0 dist 8.1715 6.11473 5.72783 7.15243 11.7535 6.5058 numMergedOcc 0
43 mol 252 unq 3 iso 0 dist 8.1715 8.47784 10.672 7.15243 11.7535 6.77555 numMergedOcc 0
44 mol 252 unq 4 iso 0 dist 7.19638 6.86945 5.25252 3.6688 6.38733 8.62955 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 6.60405 6.70815 7.42673 9.34197 12.9131 8.65191 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 6.42289 7.99477 7.42673 8.40328 12.9131 8.65191 numMergedOcc 0
47 mol 261 unq 0 iso 0 dist 9.14619 5.26434 6.04016 7.83541 13.0961 7.75255 numMergedOcc 0
48 mol 261 unq 1 iso 0 dist 9.14619 5.26434 6.04016 10.6727 12.4461 8.96013 numMergedOcc 0
49 mol 261 unq 2 iso 0 dist 8.45658 8.60026 6.04016 14.5304 13.0961 7.75255 numMergedOcc 0
50 mol 261 unq 3 iso 0 dist 8.45658 8.60026 6.04016 16.5975 12.4461 8.96013 numMergedOcc 0
51 mol 272 unq 0 iso 0 dist 9.97651 9.19033 10.26 5.99934 13.7372 7.64992 numMergedOcc 0
52 mol 272 unq 1 iso 0 dist 8.46116 9.19033 13.5034 5.99934 12.4864 7.64992 numMergedOcc 0
