/data/dan003.xyz
http://github.com/rajarshi/cdkr · Unknown · 80 lines · 80 code · 0 blank · 0 comment · 0 complexity · ed12ce291d241d569c859f24ebdeaec2 MD5 · raw file
- 78
- dan003.xyz 0.0000000
- C 0.26103 2.00415 0.89241
- C 0.41399 1.13044 2.21944
- N -0.05342 -0.29393 2.21946
- C -1.54831 -0.44086 2.45377
- C -2.63866 -1.63082 2.29226
- N -3.40319 -2.14306 1.06542
- C -3.36477 -3.63498 0.93250
- C -2.00408 -4.20225 0.42745
- C -1.44354 -3.45841 -0.82146
- N -0.83650 -2.14860 -0.46043
- C -1.15609 -1.01550 -1.38570
- C 0.01560 -0.29009 -2.10833
- N 0.87594 0.53520 -1.20692
- C 0.19958 1.77417 -0.68496
- C 0.77318 -1.24758 1.37494
- C 0.51747 -2.24270 0.16950
- C 2.19112 0.81229 -1.85782
- C 3.22675 1.27748 -0.86245
- C 3.78438 0.38038 0.06695
- C 4.70221 0.85171 1.01921
- C 5.05074 2.21361 1.02942
- C 4.46306 3.07377 0.07932
- N 3.57646 2.58723 -0.82333
- C 5.96678 2.72700 1.96574
- C 6.29526 4.09317 1.95194
- C 5.70972 4.94899 1.00391
- C 4.79255 4.44028 0.06910
- C -4.81038 -1.64249 0.92475
- C -4.79375 -0.30725 0.21689
- C -5.02579 0.89847 0.90309
- C -4.91875 2.11732 0.21433
- C -4.57722 2.11572 -1.14972
- C -4.35361 0.88176 -1.79322
- N -4.46405 -0.27625 -1.09831
- C -3.99688 0.85017 -3.15245
- C -3.86486 2.04963 -3.87110
- C -4.09404 3.28016 -3.23316
- C -4.45000 3.31461 -1.87422
- H 1.28284 1.63166 0.73590
- H -0.71864 1.50501 0.85726
- H -0.14273 1.65785 3.00327
- H 1.46108 1.13410 2.54760
- H -1.56048 -0.41572 1.35138
- H -1.15683 -1.14175 3.22019
- H -3.24675 -0.72809 2.13724
- H -1.80924 -2.11825 1.76882
- H -3.61482 -4.09640 1.89125
- H -4.11403 -3.95426 0.20250
- H -2.16257 -5.24953 0.15463
- H -1.27389 -4.18323 1.23793
- H -2.26696 -3.32511 -1.52679
- H -0.68787 -4.08249 -1.30479
- H -1.72187 -0.27530 -0.81937
- H -1.82296 -1.37749 -2.17322
- H -0.40048 0.35446 -2.88848
- H 0.61515 -1.05903 -2.60227
- H -0.84514 1.79731 -1.01508
- H 0.66384 2.65414 -1.14491
- H 0.28265 -2.02658 1.97636
- H 0.39808 -0.57008 0.61227
- H 1.28445 -2.07382 -0.59178
- H 0.68673 -3.26384 0.52819
- H 2.07224 1.55938 -2.64593
- H 2.57440 -0.10275 -2.31728
- H 3.51354 -0.63472 0.05952
- H 5.11880 0.18560 1.71772
- H 6.41085 2.09410 2.67856
- H 6.98044 4.47494 2.65130
- H 5.95877 5.97011 0.99385
- H 4.35584 5.08430 -0.63791
- H -5.29408 -1.56626 1.90055
- H -5.40589 -2.31874 0.30744
- H -5.26403 0.89513 1.92680
- H -5.08462 3.02145 0.72440
- H -3.82244 -0.06879 -3.63250
- H -3.59436 2.02624 -4.88657
- H -3.99722 4.17697 -3.77243
- H -4.61722 4.24062 -1.40478