301
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C15 | C14 | sing | 1.51Å | 1.53Å | |
C14 | C13 | doub | 1.31Å | 1.39Å | |
C13 | C12 | sing | 1.51Å | 1.39Å | |
C12 | C11 | sing | 1.51Å | 1.39Å | |
C11 | N10 | doub | 1.29Å | 1.32Å | |
N1 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
C6 | N10 | sing | 1.37Å | 1.33Å | |
N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C15 | H15B | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N9 | HN9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | C14 | C13 | 121.0° | 120.0° |
C14 | C15 | H15 | 109.5° | 109.5° |
C14 | C15 | H15A | 109.5° | 109.4° |
C14 | C15 | H15B | 109.5° | 109.5° |
C15 | C14 | H14 | 119.5° | 120.0° |
C14 | C13 | C12 | 119.1° | 120.0° |
C13 | C14 | H14 | 119.5° | 120.0° |
C14 | C13 | H13 | 120.5° | 120.0° |
C13 | C12 | C11 | 121.5° | 109.5° |
C12 | C13 | H13 | 120.5° | 120.0° |
C13 | C12 | H12 | 105.6° | 109.5° |
C13 | C12 | H12A | 102.8° | 109.5° |
C12 | C11 | N10 | 121.0° | 120.0° |
C11 | C12 | H12 | 105.6° | 109.5° |
C11 | C12 | H12A | 102.8° | 109.5° |
C12 | C11 | H11 | 119.5° | 120.0° |
C11 | N10 | C6 | 120.8° | 119.9° |
N10 | C11 | H11 | 119.5° | 120.0° |
C2 | N1 | C6 | 121.3° | 121.2° |
N1 | C2 | N3 | 121.7° | 122.5° |
N1 | C2 | H2 | 119.2° | 118.8° |
N1 | C6 | C5 | 118.5° | 118.3° |
N1 | C6 | N10 | 120.5° | 120.9° |
C2 | N3 | C4 | 120.4° | 120.7° |
N3 | C2 | H2 | 119.1° | 118.7° |
N3 | C4 | C5 | 119.5° | 119.1° |
N3 | C4 | N9 | 133.3° | 135.0° |
C5 | C4 | N9 | 107.2° | 105.9° |
C4 | C5 | C6 | 118.6° | 118.1° |
C4 | C5 | N7 | 107.2° | 107.2° |
C4 | N9 | C8 | 108.1° | 107.4° |
C4 | N9 | HN9 | 126.0° | 126.3° |
C6 | C5 | N7 | 134.2° | 134.8° |
C5 | C6 | N10 | 121.0° | 120.8° |
C5 | N7 | C8 | 108.1° | 109.5° |
N7 | C8 | N9 | 109.5° | 110.0° |
N7 | C8 | H8 | 125.3° | 125.0° |
N9 | C8 | H8 | 125.3° | 125.0° |
C8 | N9 | HN9 | 125.9° | 126.3° |
H15 | C15 | H15A | 109.5° | 109.5° |
H15 | C15 | H15B | 109.4° | 109.5° |
H15A | C15 | H15B | 109.5° | 109.4° |
H12 | C12 | H12A | 119.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | C14 | C13 | H14 | 180.0° | 180.0° |
C15 | C14 | C13 | C12 | 6.6° | 0.0° |
C14 | C15 | H15 | H15A | 120.0° | 120.0° |
C14 | C15 | H15 | H15B | 120.0° | 120.0° |
C14 | C15 | H15A | H15B | 120.0° | 119.9° |
C15 | C14 | C13 | H13 | 173.4° | 180.0° |
C14 | C13 | C12 | H13 | 180.0° | 180.0° |
C14 | C13 | C12 | C11 | 83.3° | 125.0° |
C13 | C14 | C15 | H15 | 128.9° | 180.0° |
C13 | C14 | C15 | H15A | 8.9° | 60.0° |
C13 | C14 | C15 | H15B | 111.1° | 59.9° |
C14 | C13 | C12 | H12 | 156.7° | 115.0° |
C14 | C13 | C12 | H12A | 30.7° | 4.9° |
C13 | C12 | C11 | H12 | 120.0° | 120.0° |
C13 | C12 | C11 | H12A | 114.0° | 120.0° |
C13 | C12 | C11 | N10 | 161.5° | 125.0° |
C12 | C13 | C14 | H14 | 173.4° | 179.9° |
C13 | C12 | H12 | H12A | 115.0° | 120.0° |
C13 | C12 | C11 | H11 | 18.5° | 55.0° |
C12 | C11 | N10 | H11 | 180.0° | 180.0° |
C12 | C11 | N10 | C6 | 178.1° | 180.0° |
C11 | C12 | C13 | H13 | 96.7° | 55.0° |
C11 | C12 | H12 | H12A | 115.0° | 120.0° |
C11 | N10 | C6 | N1 | 0.5° | 0.0° |
C11 | N10 | C6 | C5 | 179.7° | 180.0° |
N10 | C11 | C12 | H12 | 41.5° | 5.0° |
N10 | C11 | C12 | H12A | 84.5° | 115.0° |
N1 | C2 | N3 | H2 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.0° | 0.1° |
C2 | N1 | C6 | C5 | 0.2° | 0.0° |
C2 | N1 | C6 | N10 | 179.0° | 179.9° |
C6 | N1 | C2 | N3 | 0.1° | 0.1° |
N1 | C6 | C5 | C4 | 0.2° | 0.0° |
N1 | C6 | C5 | N10 | 179.2° | 180.0° |
N1 | C6 | C5 | N7 | 179.9° | 180.0° |
C6 | N1 | C2 | H2 | 180.0° | 180.0° |
C2 | N3 | C4 | C5 | 0.0° | 0.1° |
C2 | N3 | C4 | N9 | 180.0° | 180.0° |
N3 | C4 | C5 | N9 | 180.0° | 179.9° |
N3 | C4 | C5 | C6 | 0.1° | 0.0° |
N3 | C4 | C5 | N7 | 180.0° | 180.0° |
N3 | C4 | N9 | C8 | 180.0° | 179.9° |
C4 | N3 | C2 | H2 | 180.0° | 180.0° |
N3 | C4 | N9 | HN9 | 0.0° | 0.1° |
C4 | C5 | C6 | N7 | 179.9° | 180.0° |
C4 | C5 | C6 | N10 | 179.0° | 180.0° |
C4 | C5 | N7 | C8 | 0.1° | 0.0° |
C5 | C4 | N9 | C8 | 0.0° | 0.0° |
C5 | C4 | N9 | HN9 | 180.0° | 180.0° |
N9 | C4 | C5 | C6 | 179.9° | 179.9° |
N9 | C4 | C5 | N7 | 0.1° | 0.0° |
C4 | N9 | C8 | N7 | 0.1° | 0.0° |
C4 | N9 | C8 | HN9 | 180.0° | 180.0° |
C4 | N9 | C8 | H8 | 179.9° | 179.9° |
C6 | C5 | N7 | C8 | 179.8° | 179.9° |
N7 | C5 | C6 | N10 | 0.9° | 0.1° |
C5 | N7 | C8 | N9 | 0.1° | 0.0° |
C5 | N7 | C8 | H8 | 179.9° | 180.0° |
C6 | N10 | C11 | H11 | 1.9° | 0.0° |
N7 | C8 | N9 | H8 | 180.0° | 180.0° |
N7 | C8 | N9 | HN9 | 179.9° | 180.0° |
H15 | C15 | H15A | H15B | 120.0° | 120.1° |
H15 | C15 | C14 | H14 | 51.1° | 0.0° |
H15A | C15 | C14 | H14 | 171.1° | 120.0° |
H15B | C15 | C14 | H14 | 68.9° | 120.1° |
H14 | C14 | C13 | H13 | 6.6° | 0.0° |
H13 | C13 | C12 | H12 | 23.3° | 65.0° |
H13 | C13 | C12 | H12A | 149.3° | 175.0° |
H12 | C12 | C11 | H11 | 138.5° | 175.0° |
H12A | C12 | C11 | H11 | 95.5° | 65.0° |
H8 | C8 | N9 | HN9 | 0.1° | 0.1° |