VEO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
O02 | C01 | sing | 1.43Å | 1.39Å | |
O02 | C03 | sing | 1.36Å | 1.39Å | |
C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
C03 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C06 | N07 | sing | 1.38Å | 1.34Å | Aromatic |
C06 | C10 | doub | 1.41Å | 1.38Å | Aromatic |
C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
N07 | C08 | sing | 1.38Å | 1.31Å | Aromatic |
C10 | C09 | sing | 1.41Å | 1.40Å | Aromatic |
C08 | C09 | doub | 1.36Å | 1.38Å | Aromatic |
C08 | C12 | sing | 1.47Å | 1.50Å | |
O14 | C12 | doub | 1.22Å | 1.26Å | |
C12 | O13 | sing | 1.35Å | 1.27Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.08Å | 1.08Å | |
C05 | H5 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å | |
C11 | H8 | sing | 1.08Å | 1.08Å | |
O13 | H9 | sing | 0.97Å | 0.95Å | |
N07 | H7 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C05 | C04 | C03 | 120.5° | 120.6° |
C04 | C05 | C06 | 119.9° | 120.0° |
C05 | C04 | H4 | 119.7° | 119.7° |
C04 | C05 | H5 | 120.1° | 120.0° |
C04 | C03 | O02 | 120.2° | 119.8° |
C04 | C03 | C11 | 119.7° | 120.3° |
C03 | C04 | H4 | 119.7° | 119.7° |
C01 | O02 | C03 | 111.0° | 117.1° |
O02 | C01 | H1 | 109.5° | 109.4° |
O02 | C01 | H2 | 109.4° | 109.5° |
O02 | C01 | H3 | 109.5° | 109.5° |
O02 | C03 | C11 | 120.1° | 119.9° |
C05 | C06 | N07 | 131.4° | 133.0° |
C05 | C06 | C10 | 119.7° | 119.6° |
C06 | C05 | H5 | 120.1° | 120.0° |
C03 | C11 | C10 | 119.9° | 119.7° |
C03 | C11 | H8 | 120.1° | 120.1° |
N07 | C06 | C10 | 108.9° | 107.4° |
C06 | N07 | C08 | 108.4° | 108.7° |
C06 | N07 | H7 | 125.8° | 125.6° |
C06 | C10 | C11 | 120.3° | 119.7° |
C06 | C10 | C09 | 106.8° | 107.0° |
C11 | C10 | C09 | 133.0° | 133.3° |
C10 | C11 | H8 | 120.1° | 120.1° |
N07 | C08 | C09 | 111.2° | 109.1° |
N07 | C08 | C12 | 124.3° | 125.4° |
C08 | N07 | H7 | 125.8° | 125.7° |
C10 | C09 | C08 | 104.7° | 107.8° |
C10 | C09 | H6 | 127.6° | 126.1° |
C09 | C08 | C12 | 124.5° | 125.5° |
C08 | C09 | H6 | 127.7° | 126.1° |
C08 | C12 | O14 | 117.0° | 120.0° |
C08 | C12 | O13 | 118.3° | 120.0° |
O14 | C12 | O13 | 124.7° | 120.0° |
C12 | O13 | H9 | 109.5° | 117.0° |
H1 | C01 | H2 | 109.5° | 109.4° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C05 | C04 | C03 | H4 | 180.0° | 179.6° |
C05 | C04 | C03 | O02 | 180.0° | 179.7° |
C04 | C05 | C06 | H5 | 180.0° | 179.6° |
C05 | C04 | C03 | C11 | 0.8° | 0.4° |
C04 | C05 | C06 | N07 | 179.7° | 179.9° |
C04 | C05 | C06 | C10 | 0.1° | 0.1° |
C04 | C03 | O02 | C01 | 60.3° | 0.0° |
C04 | C03 | O02 | C11 | 179.2° | 180.0° |
C03 | C04 | C05 | C06 | 0.7° | 0.4° |
C04 | C03 | C11 | C10 | 0.3° | 0.0° |
C03 | C04 | C05 | H5 | 179.4° | 180.0° |
C04 | C03 | C11 | H8 | 179.7° | 179.9° |
C01 | O02 | C03 | C11 | 118.9° | 180.0° |
O02 | C01 | H1 | H2 | 120.0° | 120.0° |
O02 | C01 | H1 | H3 | 120.0° | 120.0° |
O02 | C01 | H2 | H3 | 120.0° | 120.1° |
O02 | C03 | C11 | C10 | 179.4° | 180.0° |
C03 | O02 | C01 | H1 | 180.0° | 60.0° |
C03 | O02 | C01 | H2 | 60.0° | 60.0° |
C03 | O02 | C01 | H3 | 60.0° | 180.0° |
O02 | C03 | C04 | H4 | 0.0° | 0.1° |
O02 | C03 | C11 | H8 | 0.6° | 0.1° |
C05 | C06 | N07 | C10 | 179.7° | 179.9° |
C05 | C06 | C10 | C11 | 0.6° | 0.2° |
C05 | C06 | N07 | C08 | 180.0° | 180.0° |
C05 | C06 | C10 | C09 | 179.9° | 180.0° |
C06 | C05 | C04 | H4 | 179.4° | 180.0° |
C05 | C06 | N07 | H7 | 0.0° | 0.0° |
C03 | C11 | C10 | C06 | 0.4° | 0.2° |
C03 | C11 | C10 | H8 | 180.0° | 179.9° |
C03 | C11 | C10 | C09 | 179.5° | 180.0° |
C11 | C03 | C04 | H4 | 179.2° | 179.9° |
N07 | C06 | C10 | C11 | 179.7° | 179.8° |
C06 | N07 | C08 | H7 | 180.0° | 180.0° |
N07 | C06 | C10 | C09 | 0.4° | 0.0° |
C06 | N07 | C08 | C09 | 0.0° | 0.1° |
C06 | N07 | C08 | C12 | 179.7° | 180.0° |
N07 | C06 | C05 | H5 | 0.3° | 0.4° |
C06 | C10 | C11 | C09 | 179.0° | 179.7° |
C10 | C06 | N07 | C08 | 0.3° | 0.1° |
C06 | C10 | C09 | C08 | 0.4° | 0.0° |
C10 | C06 | C05 | H5 | 179.9° | 179.7° |
C06 | C10 | C09 | H6 | 179.7° | 180.0° |
C06 | C10 | C11 | H8 | 179.6° | 179.7° |
C10 | C06 | N07 | H7 | 179.7° | 180.0° |
C11 | C10 | C09 | C08 | 179.5° | 179.7° |
C11 | C10 | C09 | H6 | 0.5° | 0.3° |
N07 | C08 | C09 | C10 | 0.2° | 0.0° |
N07 | C08 | C09 | C12 | 179.8° | 179.9° |
N07 | C08 | C12 | O14 | 27.3° | 179.9° |
N07 | C08 | C12 | O13 | 153.4° | 0.1° |
N07 | C08 | C09 | H6 | 179.8° | 180.0° |
C10 | C09 | C08 | H6 | 180.0° | 180.0° |
C10 | C09 | C08 | C12 | 180.0° | 179.9° |
C09 | C10 | C11 | H8 | 0.5° | 0.1° |
C09 | C08 | C12 | O14 | 152.4° | 0.1° |
C09 | C08 | C12 | O13 | 26.9° | 180.0° |
C09 | C08 | N07 | H7 | 179.9° | 180.0° |
C08 | C12 | O14 | O13 | 179.3° | 180.0° |
C12 | C08 | C09 | H6 | 0.0° | 0.1° |
C08 | C12 | O13 | H9 | 179.3° | 180.0° |
C12 | C08 | N07 | H7 | 0.3° | 0.1° |
O14 | C12 | O13 | H9 | 0.0° | 0.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C04 | C05 | H5 | 0.6° | 0.4° |