0 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 6.32132 8.23292 5.04899 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 7.2878 9.05547 6.85766 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 5.8166 8.97292 6.34748 14.1347 13.5562 7.71095 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 5.8166 6.85083 6.47721 7.35881 11.4657 7.17396 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 6.47468 8.97292 13.0793 7.2878 12.9592 6.85766 numMergedOcc 0
5 mol 59 unq 4 iso 0 dist 6.47468 8.97292 13.0793 14.1347 19.6226 7.71095 numMergedOcc 0
6 mol 59 unq 5 iso 0 dist 6.47468 6.85083 8.64013 7.35881 9.94491 7.17396 numMergedOcc 0
7 mol 66 unq 0 iso 0 dist 7.1612 7.69019 5.95767 5.89221 8.31793 8.96624 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 9.59708 7.26032 6.51657 5.91309 13.9582 9.5497 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 7.18799 7.26032 5.19926 5.91309 10.3472 9.5497 numMergedOcc 0
10 mol 86 unq 2 iso 0 dist 8.4254 5.49793 5.19926 5.82069 10.3472 9.5497 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 9.65979 9.57498 6.45675 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 9.52282 5.09688 6.89762 10.2364 15.6218 8.86688 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 6.4595 9.24515 7.5732 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 5.66196 6.06543 8.47567 5.51609 11.0684 7.35754 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 6.01457 11.9171 8.37808 numMergedOcc 0
17 mol 125 unq 0 iso 0 dist 4.81596 8.38646 6.06241 6.5815 9.63302 8.62381 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 9.57623 9.79448 8.89539 7.78467 12.2522 8.14887 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 9.57623 9.79448 8.89539 6.02237 6.66607 9.30299 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 13.1328 10.482 5.83384 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 8.95717 6.38977 11.3296 6.82985 15.0724 8.40312 numMergedOcc 0
22 mol 131 unq 1 iso 0 dist 8.95717 9.69757 15.665 6.82985 15.0724 7.12972 numMergedOcc 0
23 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 15.9368 17.544 7.7059 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 8.2872 6.99089 7.46245 10.1742 13.9196 6.54501 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 8.2872 6.99089 7.46245 12.6542 13.403 6.49416 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 14.0766 9.74381 5.99315 numMergedOcc 0
27 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 5.361 7.83781 9.87651 numMergedOcc 0
28 mol 178 unq 0 iso 0 dist 7.33326 6.01118 5.84525 9.73148 12.5152 6.69288 numMergedOcc 0
29 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 7.48422 9.36307 9.31746 numMergedOcc 0
30 mol 182 unq 1 iso 0 dist 9.42196 6.31492 13.9897 7.48422 15.8237 9.31746 numMergedOcc 0
31 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 5.64431 11.6579 5.59424 numMergedOcc 0
32 mol 192 unq 1 iso 0 dist 9.67207 9.05666 15.8138 10.8223 16.8322 7.00794 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 9.66533 9.01896 11.3575 7.3913 11.9696 8.82096 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 9.09371 9.93154 5.71921 6.78651 12.1015 9.34734 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 9.09371 9.18218 9.08864 6.78651 12.1015 7.56888 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 9.09371 6.18486 8.98613 6.78651 12.1015 7.55216 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 7.00773 9.82174 9.4693 10.4397 10.639 6.57393 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 7.00773 9.2521 13.931 12.8083 15.3135 6.22714 numMergedOcc 0
39 mol 238 unq 2 iso 0 dist 7.00773 9.2521 13.931 10.1821 10.7268 7.31233 numMergedOcc 0
40 mol 252 unq 0 iso 0 dist 9.31855 9.78185 13.943 17.5012 21.2167 8.33025 numMergedOcc 0
41 mol 252 unq 1 iso 0 dist 9.31855 9.78185 13.943 16.8096 22.8185 9.2288 numMergedOcc 0
42 mol 252 unq 2 iso 0 dist 9.31855 9.78185 13.943 6.79692 13.2003 7.19638 numMergedOcc 0
43 mol 253 unq 0 iso 0 dist 8.27377 7.0247 12.8819 10.9027 18.9173 9.02271 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 14.1932 13.3627 8.13497 numMergedOcc 0
45 mol 259 unq 1 iso 0 dist 9.33299 6.49599 7.32419 13.8605 12.9693 7.88519 numMergedOcc 0
46 mol 259 unq 2 iso 0 dist 9.33299 9.34738 6.04412 13.8605 12.9693 7.84554 numMergedOcc 0
47 mol 259 unq 3 iso 0 dist 9.33299 9.47382 12.7868 13.8605 12.9693 7.46176 numMergedOcc 0
48 mol 259 unq 4 iso 0 dist 9.49732 6.49599 11.0067 14.1932 16.342 8.13497 numMergedOcc 0
49 mol 259 unq 5 iso 0 dist 9.49732 6.49599 11.0067 13.8605 13.6279 7.88519 numMergedOcc 0
50 mol 259 unq 6 iso 0 dist 9.49732 9.34738 11.569 13.8605 13.6279 7.84554 numMergedOcc 0
51 mol 259 unq 7 iso 0 dist 9.49732 9.47382 6.18571 13.8605 13.6279 7.46176 numMergedOcc 0
52 mol 261 unq 0 iso 0 dist 9.0643 7.26647 6.80146 4.95196 11.0098 7.73141 numMergedOcc 0
53 mol 261 unq 1 iso 0 dist 9.0643 7.26647 6.80146 9.29412 14.3256 8.43057 numMergedOcc 0
54 mol 261 unq 2 iso 0 dist 9.0643 7.7309 9.00992 9.29412 14.3256 6.05727 numMergedOcc 0
55 mol 261 unq 3 iso 0 dist 7.4202 7.26647 12.9384 4.95196 12.1654 7.73141 numMergedOcc 0
56 mol 261 unq 4 iso 0 dist 7.4202 7.26647 12.9384 9.29412 13.9054 8.43057 numMergedOcc 0
57 mol 261 unq 5 iso 0 dist 7.4202 7.7309 11.479 9.29412 13.9054 6.05727 numMergedOcc 0
58 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 5.75852 11.1221 6.87396 numMergedOcc 0
59 mol 279 unq 0 iso 0 dist 9.71938 8.27977 9.19671 13.1217 17.5201 9.70696 numMergedOcc 0
60 mol 282 unq 0 iso 0 dist 7.28238 7.70229 6.17747 8.93697 12.9555 8.76532 numMergedOcc 0
61 mol 282 unq 1 iso 0 dist 7.28238 7.90792 7.94567 8.93697 12.9555 6.33524 numMergedOcc 0
62 mol 282 unq 2 iso 0 dist 7.3389 7.70229 13.1327 8.93697 12.9821 8.76532 numMergedOcc 0
63 mol 282 unq 3 iso 0 dist 7.3389 7.90792 11.2762 8.93697 12.9821 6.33524 numMergedOcc 0
64 mol 294 unq 0 iso 0 dist 9.2924 7.1984 6.6414 6.23921 11.4441 8.15665 numMergedOcc 0
