0 mol 16 unq 0 iso 0 dist 7.65729 8.4361 5.64581 5.39064 6.29703 4.86568 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.72142 6.28033 5.59769 5.40044 8.47315 4.7319 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.46837 6.84569 6.43294 11.958 8.33883 10.9143 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 6.15118 9.04228 5.23042 9.70697 9.70148 14.7263 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 13.4367 6.89722 11.4799 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.40844 6.10011 9.76331 5.33851 9.68526 8.9232 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.40844 6.10011 9.76331 13.4367 7.26679 11.4799 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 8.40844 6.10011 9.76331 15.7164 9.30776 16.0453 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 8.40844 8.124 5.44275 5.33851 9.68526 10.2049 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 8.40844 8.124 5.44275 15.7164 9.30776 11.6369 numMergedOcc 0
14 mol 73 unq 8 iso 0 dist 6.99156 6.10011 10.4402 5.33851 9.72442 8.9232 numMergedOcc 0
15 mol 73 unq 9 iso 0 dist 6.99156 6.10011 10.4402 16.0086 9.02288 18.5645 numMergedOcc 0
16 mol 73 unq 10 iso 0 dist 6.99156 8.124 8.0624 5.33851 9.72442 10.2049 numMergedOcc 0
17 mol 73 unq 11 iso 0 dist 6.99156 8.124 8.0624 16.0086 9.02288 14.305 numMergedOcc 0
18 mol 73 unq 12 iso 0 dist 7.02351 8.16299 11.2674 13.6586 9.68526 20.257 numMergedOcc 0
19 mol 73 unq 13 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 numMergedOcc 0
20 mol 73 unq 14 iso 0 dist 7.02351 8.16299 11.2674 4.15333 9.30776 10.1207 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 4.85152 5.90776 6.82886 11.1785 9.514 12.4557 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 4.85152 5.90776 6.82886 10.9352 7.84888 10.2618 numMergedOcc 0
23 mol 101 unq 0 iso 0 dist 5.51185 9.3485 4.79998 9.11989 8.77773 12.0459 numMergedOcc 0
24 mol 102 unq 0 iso 0 dist 9.61113 7.42187 13.5433 13.9809 9.01767 18.0405 numMergedOcc 0
25 mol 102 unq 1 iso 0 dist 7.59973 7.42187 8.51668 10.3418 9.43411 14.4792 numMergedOcc 0
26 mol 102 unq 2 iso 0 dist 7.59973 7.42187 8.51668 13.9809 9.80678 18.0405 numMergedOcc 0
27 mol 102 unq 3 iso 0 dist 7.73836 9.84673 6.42572 5.09542 9.01767 7.36792 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 5.24519 8.81172 6.29427 5.34484 7.70533 9.84395 numMergedOcc 0
29 mol 117 unq 1 iso 0 dist 8.30003 7.0318 10.4589 5.21051 9.85576 7.90328 numMergedOcc 0
30 mol 126 unq 0 iso 0 dist 9.40608 6.24392 7.01529 5.50061 9.54928 6.06638 numMergedOcc 0
31 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 10.106 8.48413 14.7391 numMergedOcc 0
32 mol 142 unq 1 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 numMergedOcc 0
33 mol 152 unq 0 iso 0 dist 8.84852 9.60838 5.43283 9.50073 9.10619 13.7502 numMergedOcc 0
34 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 numMergedOcc 0
35 mol 156 unq 1 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 numMergedOcc 0
36 mol 156 unq 2 iso 0 dist 8.79185 9.19499 9.07974 5.59399 6.71202 12.0598 numMergedOcc 0
37 mol 156 unq 3 iso 0 dist 8.79185 7.11647 5.70205 5.59399 6.71202 7.66148 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 8.58709 6.21273 4.90657 5.1021 9.8711 9.23153 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 4.99301 9.74059 10.9595 5.25583 6.56437 14.9391 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 6.36813 9.74059 13.311 5.25583 6.23882 14.9391 numMergedOcc 0
43 mol 224 unq 2 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 numMergedOcc 0
44 mol 224 unq 3 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 numMergedOcc 0
45 mol 224 unq 4 iso 0 dist 7.7163 9.11052 10.3532 11.8217 9.34636 14.0676 numMergedOcc 0
46 mol 224 unq 5 iso 0 dist 7.7163 9.11052 10.3532 10.8463 9.79616 10.5128 numMergedOcc 0
47 mol 224 unq 6 iso 0 dist 9.2 7.07564 4.8786 5.44863 9.29703 5.78342 numMergedOcc 0
48 mol 224 unq 7 iso 0 dist 9.2 9.11052 6.38066 5.44863 9.29703 5.81334 numMergedOcc 0
49 mol 227 unq 0 iso 0 dist 7.99145 7.71761 11.4528 5.841 9.17826 7.55216 numMergedOcc 0
50 mol 230 unq 0 iso 0 dist 5.00735 5.62804 7.07028 6.33989 8.43766 6.7547 numMergedOcc 0
51 mol 230 unq 1 iso 0 dist 5.00735 9.3619 11.491 6.33989 8.43766 11.5044 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 4.21935 6.83046 5.29737 4.77446 6.37342 6.16342 numMergedOcc 0
53 mol 251 unq 0 iso 0 dist 8.65547 8.8487 6.91874 10.0672 9.82043 13.3555 numMergedOcc 0
54 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 5.13233 8.58088 6.42289 numMergedOcc 0
55 mol 274 unq 0 iso 0 dist 5.68643 8.78883 4.97216 7.48637 9.91395 9.10818 numMergedOcc 0
56 mol 274 unq 1 iso 0 dist 8.36043 8.78883 10.2686 8.13367 9.81815 12.5029 numMergedOcc 0
57 mol 274 unq 2 iso 0 dist 5.59151 5.82876 7.96313 7.60191 7.79904 10.3851 numMergedOcc 0
58 mol 274 unq 3 iso 0 dist 5.59151 5.82876 7.96313 13.8866 9.02749 12.8531 numMergedOcc 0
59 mol 274 unq 4 iso 0 dist 5.59151 8.71129 13.1879 7.60191 7.79904 13.6107 numMergedOcc 0
60 mol 274 unq 5 iso 0 dist 5.59151 8.71129 13.1879 13.8866 9.02749 18.9617 numMergedOcc 0
61 mol 274 unq 6 iso 0 dist 8.17922 5.82876 7.97998 10.374 7.80446 11.9707 numMergedOcc 0
62 mol 274 unq 7 iso 0 dist 8.17922 5.82876 7.97998 7.60191 9.86142 10.3851 numMergedOcc 0
63 mol 274 unq 8 iso 0 dist 8.17922 8.71129 5.7745 10.374 7.80446 13.0885 numMergedOcc 0
64 mol 274 unq 9 iso 0 dist 8.17922 8.71129 5.7745 7.60191 9.86142 13.6107 numMergedOcc 0
65 mol 277 unq 0 iso 0 dist 9.42812 7.07459 13.8339 10.7202 8.57532 16.7427 numMergedOcc 0
66 mol 277 unq 1 iso 0 dist 9.42812 7.07459 13.8339 17.0927 9.02914 21.6043 numMergedOcc 0
67 mol 277 unq 2 iso 0 dist 9.42812 7.07459 13.8339 16.2915 6.90434 20.2357 numMergedOcc 0
68 mol 280 unq 0 iso 0 dist 9.9227 8.80588 4.95798 5.80223 8.85762 6.0664 numMergedOcc 0
