0 mol 0 unq 0 iso 0 dist 7.37981 7.30381 5.24778 12.7599 9.6994 11.2072 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.37981 7.30381 5.24778 13.3337 7.15528 11.2263 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.85726 8.94586 16.4469 11.5784 9.60499 12.4629 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 6.72215 8.02892 6.55304 5.38502 9.60499 6.7985 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.87871 6.40741 8.04976 8.95909 9.24927 12.8665 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 6.87871 9.31366 9.01679 8.95909 9.24927 16.1367 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 9.23576 9.18985 11.3707 7.35595 7.50293 14.1941 numMergedOcc 0
7 mol 38 unq 1 iso 0 dist 9.23576 9.18985 11.3707 8.59794 9.91611 16.859 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 5.59773 5.7405 4.29856 13.9079 9.5589 10.6808 numMergedOcc 0
9 mol 54 unq 1 iso 0 dist 5.59773 5.7405 4.29856 10.4238 6.83299 6.14538 numMergedOcc 0
10 mol 54 unq 2 iso 0 dist 5.59773 5.7405 4.29856 10.1356 8.10861 10.4158 numMergedOcc 0
11 mol 60 unq 0 iso 0 dist 8.82095 9.34193 9.49968 5.63638 6.65595 12.1928 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.82095 9.34193 9.49968 5.95814 9.25011 11.3973 numMergedOcc 0
13 mol 60 unq 2 iso 0 dist 8.82095 9.34193 9.49968 13.6099 6.43294 11.816 numMergedOcc 0
14 mol 60 unq 3 iso 0 dist 8.82095 9.34193 9.49968 12.0142 8.52121 12.3484 numMergedOcc 0
15 mol 60 unq 4 iso 0 dist 6.27749 9.34193 5.32257 5.63638 8.90863 12.1928 numMergedOcc 0
16 mol 61 unq 0 iso 0 dist 9.62468 9.32664 15.5028 10.7369 6.65721 14.6329 numMergedOcc 0
17 mol 61 unq 1 iso 0 dist 9.62468 9.32664 15.5028 11.5608 6.72123 18.8776 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 9.72442 9.53327 10.1488 11.7069 9.38498 17.6546 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 9.514 7.2131 8.55834 11.8037 7.4729 10.5753 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 9.514 7.44343 9.50382 11.8037 7.4729 6.95572 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 6.85381 9.69961 5.39346 12.5148 9.60462 10.1861 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 6.85381 9.69961 5.39346 6.38057 7.45389 10.15 numMergedOcc 0
23 mol 127 unq 0 iso 0 dist 8.40046 8.70738 12.7065 9.75166 9.30299 13.295 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 7.83619 5.05277 7.11959 10.0837 9.28393 13.5511 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 8.84018 8.70392 17.168 8.00493 6.5107 15.5952 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 9.4473 5.80404 5.81428 15.4455 8.22656 13.5737 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 9.4473 5.80404 5.81428 11.1611 6.82262 10.9779 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 9.74498 9.06844 14.4624 10.7816 8.67331 17.2181 numMergedOcc 0
29 mol 152 unq 1 iso 0 dist 9.74498 9.06844 14.4624 7.26476 8.05741 15.6437 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 7.30021 9.6281 5.4555 5.0966 7.44554 9.44367 numMergedOcc 0
31 mol 156 unq 1 iso 0 dist 7.30021 9.6281 5.4555 5.75141 8.94056 7.90267 numMergedOcc 0
32 mol 156 unq 2 iso 0 dist 7.30021 9.6281 5.4555 12.865 9.83699 10.3379 numMergedOcc 0
33 mol 156 unq 3 iso 0 dist 6.71202 6.22667 6.03934 5.70205 7.66148 7.90267 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 8.69888 9.27911 15.6247 11.5099 9.0018 20.267 numMergedOcc 0
35 mol 175 unq 1 iso 0 dist 8.69888 9.27911 15.6247 5.50014 5.6234 14.1487 numMergedOcc 0
36 mol 175 unq 2 iso 0 dist 8.69888 9.27911 15.6247 7.39186 6.57069 16.2084 numMergedOcc 0
37 mol 175 unq 3 iso 0 dist 8.69888 8.57607 12.7456 11.5099 9.0018 18.147 numMergedOcc 0
38 mol 175 unq 4 iso 0 dist 8.69888 8.57607 12.7456 5.50014 5.6234 12.1542 numMergedOcc 0
39 mol 175 unq 5 iso 0 dist 8.69888 8.57607 12.7456 7.39186 6.57069 14.966 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 6.00053 5.67112 7.16549 11.1879 8.03334 12.8648 numMergedOcc 0
41 mol 182 unq 0 iso 0 dist 7.86625 9.68323 7.68794 5.40949 9.31746 6.73956 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 8.43584 6.05667 11.6232 12.4616 9.61492 15.8388 numMergedOcc 0
43 mol 205 unq 1 iso 0 dist 8.43584 6.05667 11.6232 10.6123 7.45763 16.0523 numMergedOcc 0
44 mol 210 unq 0 iso 0 dist 9.67457 8.87054 18.0887 5.82028 6.18308 13.2105 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 9.75313 6.48885 10.7174 6.46679 6.61986 10.0553 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 6.23882 8.81349 9.2363 15.0038 8.95269 15.4463 numMergedOcc 0
47 mol 236 unq 0 iso 0 dist 8.77254 9.85348 8.84434 5.74377 8.04248 12.7281 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 8.77254 9.85348 8.84434 10.054 8.35971 10.4811 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 6.77279 9.69025 8.41846 7.55268 8.53687 15.5791 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 6.77279 9.69025 8.41846 5.71237 8.13497 7.98231 numMergedOcc 0
51 mol 259 unq 2 iso 0 dist 9.58006 9.69025 8.81835 5.71237 7.88519 7.98231 numMergedOcc 0
52 mol 259 unq 3 iso 0 dist 9.58006 9.69025 8.81835 9.10984 7.84554 11.6972 numMergedOcc 0
53 mol 259 unq 4 iso 0 dist 9.58006 9.69025 8.81835 11.8501 7.46176 7.08526 numMergedOcc 0
54 mol 259 unq 5 iso 0 dist 9.58006 9.69025 8.81835 13.9868 9.18903 15.8414 numMergedOcc 0
55 mol 264 unq 0 iso 0 dist 6.75305 9.14393 5.00209 10.0289 6.24356 7.16853 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 7.80446 8.30714 13.0115 6.57235 9.10818 12.727 numMergedOcc 0
57 mol 277 unq 0 iso 0 dist 6.90434 5.92532 7.70529 13.2927 9.7748 16.795 numMergedOcc 0
58 mol 278 unq 0 iso 0 dist 9.82774 8.20933 14.3412 10.5903 8.44326 18.2538 numMergedOcc 0
