0 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 12.8762 11.4878 8.57077 9.8978 6.0397 9.62394 9.5997 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.95341 11.7623 6.33889 13.0231 11.4878 8.57077 6.26276 6.0397 9.62394 9.5997 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.61158 7.63656 8.21493 8.72187 5.90976 8.38064 5.19544 6.33828 7.07399 4.29582 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.68726 10.8906 8.24062 10.7681 5.3525 7.71095 12.9701 7.0313 6.73347 9.64444 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.68726 10.8906 8.24062 17.118 11.0387 8.84665 12.9701 7.0313 6.73347 4.36133 numMergedOcc 0
5 mol 59 unq 2 iso 0 dist 8.68726 10.8906 8.24062 16.5558 9.15805 8.25513 12.9701 7.0313 6.73347 6.66692 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.90096 5.59449 6.91348 6.31125 6.19596 6.85062 13.6954 9.93183 8.70296 14.2045 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 9.90096 5.59449 6.91348 6.31125 6.19596 6.85062 10.9811 5.90177 9.25558 5.09131 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 7.50392 4.94973 9.38946 11.1867 12.8482 6.43582 10.9644 9.50478 7.92304 5.50031 numMergedOcc 0
9 mol 155 unq 1 iso 0 dist 8.02593 9.80448 7.36102 12.6683 8.27726 6.43582 12.8574 5.50045 7.92304 5.50031 numMergedOcc 0
10 mol 155 unq 2 iso 0 dist 8.77391 4.94973 7.36102 11.1867 8.27726 6.43582 10.9644 5.50045 7.92304 5.50031 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.19849 8.66436 8.62646 5.59806 6.58937 9.87651 15.1236 7.31643 9.67741 13.0123 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 9.86845 6.25083 9.1374 5.66363 4.43678 8.90963 8.91338 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 8.45395 9.47799 6.94688 13.0329 5.86342 5.98885 5.66363 4.43678 8.90963 9.81073 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 8.45395 9.47799 6.94688 14.039 6.80228 9.15386 5.66363 4.43678 8.90963 9.34211 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 9.15368 9.09989 6.94688 12.5284 6.25083 9.1374 5.97968 4.43678 8.90963 8.91338 numMergedOcc 0
16 mol 181 unq 4 iso 0 dist 9.15368 9.09989 6.94688 12.9014 5.86342 5.98885 5.97968 4.43678 8.90963 9.81073 numMergedOcc 0
17 mol 181 unq 5 iso 0 dist 9.15368 9.09989 6.94688 12.9138 6.80228 9.15386 5.97968 4.43678 8.90963 9.34211 numMergedOcc 0
18 mol 181 unq 6 iso 0 dist 9.20477 4.98009 6.94688 12.0593 6.25083 9.1374 8.63119 4.43678 8.90963 8.91338 numMergedOcc 0
19 mol 181 unq 7 iso 0 dist 9.20477 4.98009 6.94688 10.3248 5.86342 5.98885 8.63119 4.43678 8.90963 9.81073 numMergedOcc 0
20 mol 181 unq 8 iso 0 dist 9.20477 4.98009 6.94688 11.7479 6.80228 9.15386 8.63119 4.43678 8.90963 9.34211 numMergedOcc 0
21 mol 181 unq 9 iso 0 dist 5.41368 9.47799 6.71012 9.86845 4.77278 9.1374 5.66363 6.03415 8.90963 8.91338 numMergedOcc 0
22 mol 181 unq 10 iso 0 dist 5.41368 9.47799 6.71012 13.0329 9.14057 5.98885 5.66363 6.03415 8.90963 9.81073 numMergedOcc 0
23 mol 181 unq 11 iso 0 dist 5.41368 9.47799 6.71012 14.039 11.6919 9.15386 5.66363 6.03415 8.90963 9.34211 numMergedOcc 0
24 mol 181 unq 12 iso 0 dist 7.96182 9.09989 6.71012 12.5284 4.77278 9.1374 5.97968 6.03415 8.90963 8.91338 numMergedOcc 0
25 mol 181 unq 13 iso 0 dist 7.96182 9.09989 6.71012 12.9014 9.14057 5.98885 5.97968 6.03415 8.90963 9.81073 numMergedOcc 0
26 mol 181 unq 14 iso 0 dist 7.96182 9.09989 6.71012 12.9138 11.6919 9.15386 5.97968 6.03415 8.90963 9.34211 numMergedOcc 0
27 mol 181 unq 15 iso 0 dist 7.90237 4.98009 6.71012 12.0593 4.77278 9.1374 8.63119 6.03415 8.90963 8.91338 numMergedOcc 0
28 mol 181 unq 16 iso 0 dist 7.90237 4.98009 6.71012 10.3248 9.14057 5.98885 8.63119 6.03415 8.90963 9.81073 numMergedOcc 0
29 mol 181 unq 17 iso 0 dist 7.90237 4.98009 6.71012 11.7479 11.6919 9.15386 8.63119 6.03415 8.90963 9.34211 numMergedOcc 0
30 mol 181 unq 18 iso 0 dist 9.70025 6.20895 7.37327 13.8362 11.1462 7.81386 10.8862 5.35588 5.94469 7.77758 numMergedOcc 0
31 mol 181 unq 19 iso 0 dist 9.70025 6.20895 7.37327 10.0354 13.3389 7.63312 10.8862 5.35588 5.94469 12.5387 numMergedOcc 0
32 mol 181 unq 20 iso 0 dist 6.17129 4.3158 4.93785 9.84952 6.7991 7.81386 12.7332 7.30555 9.39829 7.20191 numMergedOcc 0
33 mol 181 unq 21 iso 0 dist 5.83596 4.3226 4.93785 10.8641 6.7991 7.81386 9.46838 7.30555 9.39829 7.20191 numMergedOcc 0
34 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 15.4893 9.82139 8.56633 16.3411 11.1666 7.50013 8.46623 numMergedOcc 0
35 mol 197 unq 1 iso 0 dist 8.32685 10.5326 8.99696 15.4893 9.82139 8.56633 15.8131 13.3562 5.81233 10.7305 numMergedOcc 0
36 mol 197 unq 2 iso 0 dist 8.32685 10.5326 8.99696 15.4893 9.82139 8.56633 10.5245 4.59269 6.92924 5.41996 numMergedOcc 0
37 mol 197 unq 3 iso 0 dist 8.32685 10.5326 8.99696 15.4893 9.82139 8.56633 15.0846 12.9766 7.14306 6.64537 numMergedOcc 0
38 mol 197 unq 4 iso 0 dist 6.74777 5.29309 8.99696 11.6279 9.82139 8.56633 11.2331 11.1666 7.50013 8.46623 numMergedOcc 0
39 mol 197 unq 5 iso 0 dist 6.74777 5.29309 8.99696 11.6279 9.82139 8.56633 10.433 13.3562 5.81233 10.7305 numMergedOcc 0
40 mol 197 unq 6 iso 0 dist 6.74777 5.29309 8.99696 11.6279 9.82139 8.56633 7.40027 4.59269 6.92924 5.41996 numMergedOcc 0
41 mol 197 unq 7 iso 0 dist 6.74777 5.29309 8.99696 11.6279 9.82139 8.56633 11.0908 12.9766 7.14306 6.64537 numMergedOcc 0
42 mol 197 unq 8 iso 0 dist 9.62514 4.57437 8.99696 12.5442 9.82139 8.56633 8.98598 11.1666 7.50013 8.46623 numMergedOcc 0
43 mol 197 unq 9 iso 0 dist 9.62514 4.57437 8.99696 12.5442 9.82139 8.56633 7.06689 13.3562 5.81233 10.7305 numMergedOcc 0
44 mol 197 unq 10 iso 0 dist 9.62514 4.57437 8.99696 12.5442 9.82139 8.56633 9.69601 4.59269 6.92924 5.41996 numMergedOcc 0
45 mol 197 unq 11 iso 0 dist 9.62514 4.57437 8.99696 12.5442 9.82139 8.56633 11.6502 12.9766 7.14306 6.64537 numMergedOcc 0
46 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 10.8522 4.8892 8.01589 5.89818 7.39748 7.67576 10.3151 numMergedOcc 0
47 mol 222 unq 1 iso 0 dist 7.35476 4.82768 6.82208 10.8522 4.8892 8.01589 9.32543 5.08928 9.82371 8.52017 numMergedOcc 0
48 mol 222 unq 2 iso 0 dist 7.35476 4.82768 6.82208 10.0664 11.0074 7.7699 5.89818 7.39748 7.67576 7.81022 numMergedOcc 0
49 mol 222 unq 3 iso 0 dist 7.35476 4.82768 6.82208 10.0664 11.0074 7.7699 9.32543 5.08928 9.82371 15.7504 numMergedOcc 0
50 mol 222 unq 4 iso 0 dist 7.35476 4.82768 6.82208 7.85877 12.2813 7.21333 5.89818 7.39748 7.67576 7.75656 numMergedOcc 0
51 mol 222 unq 5 iso 0 dist 7.35476 4.82768 6.82208 7.85877 12.2813 7.21333 9.32543 5.08928 9.82371 16.0949 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 9.77231 9.18011 9.29858 8.59074 13.069 5.72887 16.6167 10.3809 9.24557 14.7883 numMergedOcc 0
53 mol 264 unq 0 iso 0 dist 8.44015 11.2529 9.0012 15.3175 9.74238 9.361 15.4255 9.76317 7.16853 11.1431 numMergedOcc 0
54 mol 264 unq 1 iso 0 dist 8.44015 11.2529 9.0012 10.7818 5.12409 6.24356 15.4255 9.76317 7.16853 5.00209 numMergedOcc 0
55 mol 264 unq 2 iso 0 dist 6.21206 11.2529 9.5784 15.3175 9.85579 9.361 15.4255 13.9064 7.16853 11.1431 numMergedOcc 0
56 mol 264 unq 3 iso 0 dist 6.21206 11.2529 9.5784 10.7818 9.67998 6.24356 15.4255 13.9064 7.16853 5.00209 numMergedOcc 0
