File: 23_benzidine.xyz

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file content (28 lines) | stat: -rw-r--r-- 1,079 bytes parent folder | download | duplicates (3)
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benzidine
C -1.166247725  0.298922718  2.841446400
C -1.167928815  0.298187226  1.449484468
C  0.000000000  0.000000000  0.703533649
C  1.167928815 -0.298187226  1.449484468
C  1.166247725 -0.298922718  2.841446400
C  0.000000000  0.000000000  3.534542799
C  0.000000000  0.000000000 -0.703533649
C -1.167928815 -0.298187226 -1.449484468
C -1.166247725 -0.298922718 -2.841446400
C  0.000000000  0.000000000 -3.534542799
C  1.166247725  0.298922718 -2.841446400
C  1.167928815  0.298187226 -1.449484468
N  0.000000000  0.000000000  4.857702732
N  0.000000000  0.000000000 -4.857702732
H -2.079785824  0.540963173  3.367066145
H -2.093286753  0.568256557  0.960967779
H  2.093286753 -0.568256557  0.960967779
H  2.079785824 -0.540963173  3.367066145
H -2.093286753 -0.568256557 -0.960967779
H -2.079785824 -0.540963173 -3.367066145
H  2.079785824  0.540963173 -3.367066145
H  2.093286753  0.568256557 -0.960967779
H  0.888156235 -0.227711841  5.315494537
H -0.888156235  0.227711841  5.315494537
H -0.888156235 -0.227711841 -5.315494537
H  0.888156235  0.227711841 -5.315494537