0 mol 0 unq 0 iso 0 dist 9.5614 5.25456 7.15528 8.24206 13.3337 7.37981 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.5614 5.25456 7.15528 6.19218 6.83587 7.19621 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 5.55156 7.1599 7.15528 13.6664 13.3337 7.37981 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 5.55156 7.1599 7.15528 7.19397 6.83587 7.19621 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 5.83658 10.826 9.60499 14.8548 11.5784 9.85726 numMergedOcc 0
5 mol 7 unq 1 iso 0 dist 6.22805 6.96396 7.10621 9.90117 6.09254 7.21217 numMergedOcc 0
6 mol 14 unq 0 iso 0 dist 8.91266 4.15151 6.38364 7.66311 7.00835 8.39221 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 9.04834 6.05535 4.7319 14.0448 5.59769 8.47315 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 12.7747 5.38671 8.33883 numMergedOcc 0
9 mol 16 unq 2 iso 0 dist 7.46752 5.66097 7.63133 7.88676 6.53177 5.84479 numMergedOcc 0
10 mol 16 unq 3 iso 0 dist 7.46752 6.06561 5.46498 7.88676 6.53177 8.67719 numMergedOcc 0
11 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 17.6549 9.96073 5.83937 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 18.4839 13.6099 8.82095 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 5.39171 5.2774 6.89722 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 9.27355 5.44275 7.26679 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 5.79954 14.1415 9.38498 12.802 8.31041 9.68526 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 5.79954 14.1415 9.38498 16.8277 11.7069 9.72442 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 5.79954 12.8388 9.96396 15.5908 10.4716 6.89722 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 5.79954 12.8388 9.96396 12.802 8.31041 7.26679 numMergedOcc 0
19 mol 73 unq 6 iso 0 dist 5.79954 9.65653 9.75218 12.802 8.31041 9.30776 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 7.01889 7.9573 9.38498 10.4858 8.31041 9.68526 numMergedOcc 0
21 mol 73 unq 8 iso 0 dist 7.01889 7.9573 9.38498 13.3367 11.7069 9.72442 numMergedOcc 0
22 mol 73 unq 9 iso 0 dist 7.01889 15.0744 9.96396 14.6774 10.4716 6.89722 numMergedOcc 0
23 mol 73 unq 10 iso 0 dist 7.01889 15.0744 9.96396 10.4858 8.31041 7.26679 numMergedOcc 0
24 mol 73 unq 11 iso 0 dist 7.01889 8.11922 9.75218 10.4858 8.31041 9.30776 numMergedOcc 0
25 mol 102 unq 0 iso 0 dist 9.0361 7.49575 7.36792 5.43401 8.17186 9.10229 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 9.24515 5.24877 7.5732 5.31281 7.18757 8.42445 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 8.35604 5.3967 5.11551 7.67341 5.39296 6.7225 numMergedOcc 0
28 mol 115 unq 1 iso 0 dist 7.83568 7.10772 5.11551 11.1256 5.39296 6.7225 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 6.85677 4.99061 6.18601 8.24549 5.19198 6.49205 numMergedOcc 0
30 mol 125 unq 0 iso 0 dist 9.63302 6.06241 8.62381 11.6245 5.41246 8.84867 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 7.15203 9.71227 8.22656 19.033 15.4455 9.4473 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 6.21546 5.50014 8.69888 numMergedOcc 0
33 mol 175 unq 1 iso 0 dist 6.73365 5.73338 5.6234 6.03184 7.28617 5.08206 numMergedOcc 0
34 mol 175 unq 2 iso 0 dist 9.45659 5.73338 6.57069 6.21546 7.39186 8.69888 numMergedOcc 0
35 mol 175 unq 3 iso 0 dist 9.45659 5.73338 6.57069 6.03184 5.77256 5.08206 numMergedOcc 0
36 mol 210 unq 0 iso 0 dist 8.07523 13.3929 6.18308 6.24111 5.82028 9.67457 numMergedOcc 0
37 mol 210 unq 1 iso 0 dist 7.56882 12.3088 6.18308 9.00343 5.82028 9.67457 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 7.86207 4.90657 9.8711 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 7.04127 4.55824 6.61986 6.6537 6.46679 9.75313 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 7.04127 4.55824 6.61986 9.08719 7.85135 6.08709 numMergedOcc 0
41 mol 224 unq 2 iso 0 dist 4.79841 11.4653 8.95269 7.62593 5.41021 9.33771 numMergedOcc 0
42 mol 224 unq 3 iso 0 dist 7.25658 5.38198 6.65832 11.7971 7.65225 7.39839 numMergedOcc 0
43 mol 230 unq 0 iso 0 dist 8.33847 7.37154 6.7547 13.8632 7.07028 8.43766 numMergedOcc 0
44 mol 230 unq 1 iso 0 dist 9.12305 9.0274 6.7547 15.0878 7.07028 8.43766 numMergedOcc 0
45 mol 231 unq 0 iso 0 dist 9.98232 10.9863 7.37839 7.28719 5.3251 7.79865 numMergedOcc 0
46 mol 231 unq 1 iso 0 dist 9.98232 10.2117 8.40182 7.28719 5.3251 6.14348 numMergedOcc 0
47 mol 236 unq 0 iso 0 dist 9.97357 16.5918 8.35971 20.0044 10.054 8.77254 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 6.73134 5.52669 8.04248 9.13126 6.0258 9.10613 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 7.98022 6.3873 5.72887 6.74214 6.62361 9.31417 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 7.98022 6.3873 5.72887 5.33462 5.96552 5.56719 numMergedOcc 0
51 mol 239 unq 0 iso 0 dist 9.27989 12.1502 6.16342 10.2234 5.29737 6.37342 numMergedOcc 0
52 mol 241 unq 0 iso 0 dist 6.40592 7.93809 7.4631 9.174 4.86437 9.72526 numMergedOcc 0
53 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 8.11968 4.53213 8.71859 numMergedOcc 0
54 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 12.9422 9.22664 8.58088 numMergedOcc 0
55 mol 258 unq 1 iso 0 dist 8.81059 9.78068 6.42289 7.70189 9.22664 8.58088 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 6.76656 5.71237 6.77279 numMergedOcc 0
57 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 6.76656 5.71237 9.58006 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 6.21831 6.11218 9.10818 9.07452 6.57235 7.80446 numMergedOcc 0
59 mol 274 unq 1 iso 0 dist 6.21831 6.11218 9.10818 7.21004 4.97216 9.91395 numMergedOcc 0
60 mol 274 unq 2 iso 0 dist 8.3291 6.98398 9.10818 6.44266 6.57235 7.80446 numMergedOcc 0
61 mol 274 unq 3 iso 0 dist 8.3291 6.98398 9.10818 8.75703 4.97216 9.91395 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 8.35794 5.77904 9.7748 12.4458 13.2927 6.90434 numMergedOcc 0
63 mol 280 unq 0 iso 0 dist 8.27417 7.26698 6.0664 7.3304 4.95798 8.85762 numMergedOcc 0
64 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 13.2763 9.63727 5.67266 numMergedOcc 0
65 mol 282 unq 1 iso 0 dist 8.58671 8.13794 8.04483 12.2558 9.60898 5.80981 numMergedOcc 0
66 mol 282 unq 2 iso 0 dist 8.58671 8.13794 8.04483 5.62497 4.85461 9.63346 numMergedOcc 0
67 mol 282 unq 3 iso 0 dist 6.84554 9.67023 8.76532 7.93511 4.58403 5.67266 numMergedOcc 0
68 mol 282 unq 4 iso 0 dist 6.84554 9.67023 8.76532 13.5529 10.5698 5.80981 numMergedOcc 0
69 mol 282 unq 5 iso 0 dist 6.84554 9.67023 8.76532 15.4388 13.108 9.63346 numMergedOcc 0
70 mol 282 unq 6 iso 0 dist 9.51581 9.67023 6.33524 7.93511 5.04235 5.67266 numMergedOcc 0
71 mol 282 unq 7 iso 0 dist 9.51581 9.67023 6.33524 13.5529 8.37652 5.80981 numMergedOcc 0
72 mol 282 unq 8 iso 0 dist 9.51581 9.67023 6.33524 15.4388 8.85797 9.63346 numMergedOcc 0
