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 5.958890 -0.818158 -0.280085
C 4.504058 -0.486002 -0.127968
C 4.098460 0.842979 0.060350
C 2.740754 1.158819 0.165426
C 1.763540 0.150548 0.066206
C 2.176133 -1.178666 -0.131952
C 3.534103 -1.492577 -0.237595
C 0.315863 0.466590 0.185070
C -0.486085 -0.400272 1.090208
C -1.777297 -0.711500 0.930688
C -2.596722 -0.232800 -0.245404
C -2.629237 1.258583 -0.267077
C -3.997147 1.731923 -0.310097
C -4.827722 0.708328 -0.314055
C -4.122155 -0.613044 -0.251942
C -4.464411 -1.397983 -1.448840
N -4.732752 -2.015079 -2.390613
C -4.601664 -1.341318 0.936424
N -4.981975 -1.912759 1.868613
C -1.563270 2.056163 -0.362231
C -0.175352 1.559751 -0.440694
H 6.166299 -1.846738 0.084718
H 6.585309 -0.113259 0.307099
H 6.243035 -0.749483 -1.350868
H 4.833733 1.635072 0.131661
H 2.456268 2.189013 0.339016
H 1.444823 -1.972860 -0.220131
H 3.828665 -2.521320 -0.404968
H 0.039125 -0.871984 1.912726
H -2.203630 -1.388506 1.657271
H -2.100541 -0.585473 -1.179159
H -4.305866 2.768584 -0.354947
H -5.904201 0.823954 -0.355794
H -1.718380 3.120498 -0.491902
H 0.499348 2.178978 -1.019098
|
