E4V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | C02 | sing | 1.39Å | 1.45Å | |
C02 | N17 | doub | 1.33Å | 1.32Å | Aromatic |
C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
N17 | C16 | sing | 1.32Å | 1.32Å | Aromatic |
C03 | N04 | doub | 1.32Å | 1.33Å | Aromatic |
C16 | C05 | doub | 1.39Å | 1.36Å | Aromatic |
N04 | C05 | sing | 1.33Å | 1.33Å | Aromatic |
C05 | C06 | sing | 1.48Å | 1.43Å | |
C07 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
N09 | C08 | sing | 1.39Å | 1.44Å | |
C06 | C15 | sing | 1.41Å | 1.36Å | Aromatic |
C08 | N10 | doub | 1.32Å | 1.30Å | Aromatic |
C15 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
C15 | C14 | sing | 1.46Å | 1.40Å | Aromatic |
N10 | C11 | sing | 1.33Å | 1.36Å | Aromatic |
C11 | N12 | sing | 1.37Å | 1.32Å | Aromatic |
C14 | C13 | doub | 1.34Å | 1.40Å | Aromatic |
N12 | C13 | sing | 1.37Å | 1.33Å | Aromatic |
N12 | H1 | sing | 0.97Å | 1.00Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C03 | H3 | sing | 1.08Å | 1.08Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C14 | H5 | sing | 1.08Å | 1.08Å | |
C16 | H6 | sing | 1.08Å | 1.08Å | |
N01 | H7 | sing | 0.97Å | 1.00Å | |
N01 | H8 | sing | 0.97Å | 1.00Å | |
N09 | H9 | sing | 0.97Å | 1.00Å | |
N09 | H10 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N01 | C02 | N17 | 120.6° | 120.0° |
N01 | C02 | C03 | 121.8° | 119.9° |
C02 | N01 | H7 | 109.5° | 120.0° |
C02 | N01 | H8 | 109.5° | 120.0° |
N17 | C02 | C03 | 117.6° | 120.1° |
C02 | N17 | C16 | 121.9° | 120.0° |
C02 | C03 | N04 | 119.3° | 120.0° |
C02 | C03 | H3 | 120.4° | 120.0° |
N17 | C16 | C05 | 121.5° | 120.0° |
N17 | C16 | H6 | 119.3° | 120.0° |
C03 | N04 | C05 | 122.2° | 120.0° |
N04 | C03 | H3 | 120.4° | 120.0° |
C16 | C05 | N04 | 117.5° | 120.0° |
C16 | C05 | C06 | 115.9° | 120.0° |
C05 | C16 | H6 | 119.2° | 120.0° |
N04 | C05 | C06 | 126.5° | 120.0° |
C05 | C06 | C07 | 120.5° | 121.1° |
C05 | C06 | C15 | 124.4° | 121.1° |
C06 | C07 | C08 | 122.9° | 119.2° |
C07 | C06 | C15 | 115.1° | 117.9° |
C06 | C07 | H4 | 118.6° | 120.4° |
C07 | C08 | N09 | 121.3° | 119.2° |
C07 | C08 | N10 | 119.8° | 121.6° |
C08 | C07 | H4 | 118.6° | 120.4° |
N09 | C08 | N10 | 118.9° | 119.2° |
C08 | N09 | H9 | 109.5° | 120.0° |
C08 | N09 | H10 | 109.5° | 120.0° |
C06 | C15 | C11 | 120.1° | 119.5° |
C06 | C15 | C14 | 133.1° | 134.2° |
C08 | N10 | C11 | 119.7° | 121.9° |
C11 | C15 | C14 | 106.8° | 106.3° |
C15 | C11 | N10 | 122.4° | 120.0° |
C15 | C11 | N12 | 108.3° | 107.0° |
C15 | C14 | C13 | 106.1° | 106.9° |
C15 | C14 | H5 | 127.0° | 126.6° |
N10 | C11 | N12 | 129.3° | 133.0° |
C11 | N12 | C13 | 111.2° | 109.9° |
C11 | N12 | H1 | 124.4° | 125.0° |
C14 | C13 | N12 | 107.6° | 109.8° |
C14 | C13 | H2 | 126.2° | 125.1° |
C13 | C14 | H5 | 126.9° | 126.5° |
C13 | N12 | H1 | 124.4° | 125.0° |
N12 | C13 | H2 | 126.2° | 125.1° |
H7 | N01 | H8 | 109.4° | 120.0° |
H9 | N09 | H10 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N01 | C02 | N17 | C03 | 178.7° | 179.7° |
N01 | C02 | N17 | C16 | 179.2° | 179.8° |
N01 | C02 | C03 | N04 | 179.8° | 179.8° |
N01 | C02 | C03 | H3 | 0.2° | 0.3° |
C02 | N01 | H7 | H8 | 120.0° | 179.9° |
N17 | C02 | C03 | N04 | 1.1° | 0.1° |
C02 | N17 | C16 | C05 | 0.1° | 0.1° |
N17 | C02 | C03 | H3 | 178.9° | 180.0° |
C02 | N17 | C16 | H6 | 179.9° | 180.0° |
N17 | C02 | N01 | H7 | 0.0° | 0.0° |
N17 | C02 | N01 | H8 | 120.0° | 179.9° |
C03 | C02 | N17 | C16 | 0.5° | 0.1° |
C02 | C03 | N04 | H3 | 180.0° | 179.9° |
C02 | C03 | N04 | C05 | 1.5° | 0.1° |
C03 | C02 | N01 | H7 | 178.7° | 179.7° |
C03 | C02 | N01 | H8 | 61.3° | 0.2° |
N17 | C16 | C05 | H6 | 180.0° | 179.9° |
N17 | C16 | C05 | N04 | 0.4° | 0.1° |
N17 | C16 | C05 | C06 | 179.8° | 180.0° |
C03 | N04 | C05 | C16 | 1.1° | 0.1° |
C03 | N04 | C05 | C06 | 179.1° | 180.0° |
C16 | C05 | N04 | C06 | 179.7° | 179.9° |
C16 | C05 | C06 | C07 | 23.0° | 0.0° |
C16 | C05 | C06 | C15 | 157.0° | 180.0° |
N04 | C05 | C06 | C07 | 157.3° | 180.0° |
N04 | C05 | C06 | C15 | 22.8° | 0.0° |
C05 | N04 | C03 | H3 | 178.5° | 180.0° |
N04 | C05 | C16 | H6 | 179.6° | 180.0° |
C05 | C06 | C07 | C15 | 179.9° | 180.0° |
C05 | C06 | C07 | C08 | 179.9° | 179.6° |
C05 | C06 | C15 | C11 | 179.1° | 180.0° |
C05 | C06 | C15 | C14 | 1.7° | 0.3° |
C05 | C06 | C07 | H4 | 0.1° | 0.1° |
C06 | C05 | C16 | H6 | 0.2° | 0.1° |
C06 | C07 | C08 | H4 | 180.0° | 179.7° |
C06 | C07 | C08 | N09 | 178.9° | 180.0° |
C06 | C07 | C08 | N10 | 0.8° | 0.6° |
C07 | C06 | C15 | C11 | 0.9° | 0.0° |
C07 | C06 | C15 | C14 | 178.2° | 179.7° |
C07 | C08 | N09 | N10 | 179.6° | 179.4° |
C08 | C07 | C06 | C15 | 0.2° | 0.4° |
C07 | C08 | N10 | C11 | 0.3° | 0.4° |
C07 | C08 | N09 | H9 | 179.6° | 0.1° |
C07 | C08 | N09 | H10 | 60.4° | 180.0° |
N09 | C08 | N10 | C11 | 179.4° | 179.9° |
N09 | C08 | C07 | H4 | 1.1° | 0.3° |
C08 | N09 | H9 | H10 | 120.0° | 180.0° |
C06 | C15 | C11 | C14 | 178.0° | 179.8° |
C06 | C15 | C11 | N10 | 1.4° | 0.1° |
C06 | C15 | C11 | N12 | 179.0° | 180.0° |
C06 | C15 | C14 | C13 | 179.4° | 179.9° |
C15 | C06 | C07 | H4 | 179.8° | 179.9° |
C06 | C15 | C14 | H5 | 0.6° | 0.2° |
C08 | N10 | C11 | C15 | 0.8° | 0.0° |
C08 | N10 | C11 | N12 | 179.7° | 179.7° |
N10 | C08 | C07 | H4 | 179.2° | 179.7° |
N10 | C08 | N09 | H9 | 0.0° | 179.4° |
N10 | C08 | N09 | H10 | 120.0° | 0.6° |
C15 | C11 | N10 | N12 | 179.5° | 179.8° |
C11 | C15 | C14 | C13 | 1.9° | 0.3° |
C15 | C11 | N12 | C13 | 0.3° | 0.0° |
C15 | C11 | N12 | H1 | 179.7° | 179.7° |
C11 | C15 | C14 | H5 | 178.2° | 180.0° |
C14 | C15 | C11 | N10 | 179.4° | 180.0° |
C14 | C15 | C11 | N12 | 1.0° | 0.2° |
C15 | C14 | C13 | H5 | 180.0° | 179.7° |
C15 | C14 | C13 | N12 | 2.0° | 0.3° |
C15 | C14 | C13 | H2 | 177.9° | 179.6° |
N10 | C11 | N12 | C13 | 179.3° | 179.8° |
N10 | C11 | N12 | H1 | 0.7° | 0.0° |
C11 | N12 | C13 | C14 | 1.5° | 0.2° |
C11 | N12 | C13 | H1 | 180.0° | 179.8° |
C11 | N12 | C13 | H2 | 178.5° | 179.7° |
C14 | C13 | N12 | H2 | 180.0° | 179.9° |
C14 | C13 | N12 | H1 | 178.5° | 180.0° |
N12 | C13 | C14 | H5 | 178.0° | 180.0° |
H1 | N12 | C13 | H2 | 1.5° | 0.0° |
H2 | C13 | C14 | H5 | 2.0° | 0.1° |