1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37
|
35
Cc1ccc(cc1)C1C=CC2C(C=CC2(C#N)C#N)=CC=1
C 5.825874 1.234420 0.891058
C 4.423184 0.820880 0.557216
C 4.157459 -0.481902 0.111889
C 2.846258 -0.880077 -0.164457
C 1.775129 0.014961 0.017181
C 2.047059 1.316793 0.472814
C 3.358661 1.712997 0.749409
C 0.375605 -0.388066 -0.280636
C -0.434798 0.558831 -1.093334
C -1.757507 0.734585 -0.998025
C -2.612974 -0.006664 0.003238
C -2.508534 -1.476428 -0.230517
C -3.826108 -2.056045 -0.389018
C -4.746084 -1.117684 -0.285369
C -4.163461 0.245314 -0.060649
C -4.620067 1.131464 -1.146366
N -4.982395 1.826418 -1.998375
C -4.663829 0.777834 1.216807
N -5.056542 1.196398 2.221960
C -1.383045 -2.191955 -0.177914
C -0.056639 -1.609521 0.105478
H 5.963188 2.324234 0.725148
H 6.035927 1.000852 1.955650
H 6.556295 0.695388 0.250745
H 4.966251 -1.188758 -0.027147
H 2.672015 -1.882748 -0.534126
H 1.240772 2.023053 0.629117
H 3.543501 2.716131 1.113617
H 0.103249 1.207824 -1.774662
H -2.190393 1.493300 -1.634405
H -2.221407 0.214001 1.023266
H -4.039807 -3.105423 -0.547517
H -5.807352 -1.323155 -0.358941
H -1.447864 -3.271343 -0.244269
H 0.628379 -2.265908 0.628084
|