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
|
34
N#CC(C#N)=CC=C1C=CC=CC(=C1)c1ccc(cc1)[N+](=O)[O-]
N -7.447447 0.658349 -0.350534
C -6.295077 0.600073 -0.439988
C -4.862429 0.527425 -0.551110
C -4.303954 -0.390161 -1.514186
N -3.855816 -1.126121 -2.286876
C -4.097560 1.346886 0.188039
C -2.619286 1.376426 0.129749
C -1.825799 0.317373 0.381622
C -2.381178 -0.927950 0.943859
C -1.934328 -2.149247 0.657140
C -0.890131 -2.468740 -0.329051
C 0.161065 -1.710875 -0.660800
C 0.526685 -0.389867 -0.089350
C -0.366864 0.516347 0.341208
C 1.959858 -0.003605 -0.110196
C 2.581733 0.468713 1.057392
C 3.930774 0.833718 1.044644
C 4.685826 0.736699 -0.137916
C 4.060731 0.268601 -1.306268
C 2.711612 -0.097131 -1.292952
N 6.075357 1.111900 -0.155645
O 6.635530 1.530142 0.878936
O 6.811108 1.015201 -1.314628
H -4.574911 2.096886 0.808394
H -2.168666 2.335689 -0.097671
H -3.243510 -0.853020 1.596293
H -2.469888 -2.988766 1.083169
H -0.942457 -3.458329 -0.766855
H 0.872245 -2.165499 -1.339410
H -0.004658 1.500204 0.623480
H 2.023187 0.545333 1.982409
H 4.383426 1.190685 1.960811
H 4.613385 0.188490 -2.233337
H 2.251439 -0.435824 -2.212692
|