CO0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
C19 | C18 | sing | 1.40Å | 1.37Å | Aromatic |
C20 | C1 | sing | 1.39Å | 1.43Å | Aromatic |
N17 | C18 | sing | 1.39Å | 1.85Å | |
N17 | C15 | sing | 1.33Å | 1.64Å | |
C18 | C3 | doub | 1.39Å | 1.49Å | Aromatic |
O16 | C15 | doub | 1.22Å | 1.20Å | |
C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
C15 | C7 | sing | 1.47Å | 1.33Å | |
C3 | C2 | sing | 1.41Å | 1.38Å | Aromatic |
C3 | C4 | sing | 1.47Å | 1.24Å | |
C7 | C8 | doub | 1.35Å | 1.36Å | |
C7 | N6 | sing | 1.40Å | 1.06Å | |
C4 | N6 | sing | 1.33Å | 1.31Å | |
C4 | O5 | doub | 1.22Å | 1.22Å | |
C8 | C9 | sing | 1.47Å | 1.55Å | |
N6 | C23 | sing | 1.47Å | 1.49Å | |
C9 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C8 | H1 | sing | 1.08Å | 1.08Å | |
C10 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C20 | H4 | sing | 1.08Å | 1.08Å | |
N17 | H8 | sing | 0.97Å | 1.00Å | |
C19 | H9 | sing | 1.08Å | 1.08Å | |
C1 | H10 | sing | 1.08Å | 1.08Å | |
C2 | H11 | sing | 1.08Å | 1.08Å | |
C23 | H14 | sing | 1.09Å | 1.10Å | |
C23 | H12 | sing | 1.09Å | 1.10Å | |
C23 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.08Å | 1.08Å | |
C12 | H17 | sing | 1.08Å | 1.08Å | |
C11 | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C20 | C19 | C18 | 119.0° | 120.8° |
C19 | C20 | C1 | 118.6° | 119.9° |
C19 | C20 | H4 | 120.7° | 120.1° |
C20 | C19 | H9 | 120.5° | 119.6° |
C19 | C18 | N17 | 121.7° | 116.7° |
C19 | C18 | C3 | 124.8° | 119.4° |
C18 | C19 | H9 | 120.5° | 119.5° |
C20 | C1 | C2 | 121.4° | 120.0° |
C1 | C20 | H4 | 120.7° | 119.9° |
C20 | C1 | H10 | 119.3° | 120.0° |
C18 | N17 | C15 | 107.2° | 125.1° |
N17 | C18 | C3 | 113.5° | 123.8° |
C18 | N17 | H8 | 126.4° | 117.3° |
N17 | C15 | O16 | 109.8° | 119.7° |
N17 | C15 | C7 | 124.8° | 120.6° |
C15 | N17 | H8 | 126.4° | 117.6° |
C18 | C3 | C2 | 113.7° | 119.2° |
C18 | C3 | C4 | 119.9° | 123.8° |
O16 | C15 | C7 | 125.2° | 119.7° |
C1 | C2 | C3 | 122.5° | 120.6° |
C2 | C1 | H10 | 119.3° | 120.0° |
C1 | C2 | H11 | 118.7° | 119.6° |
C15 | C7 | C8 | 110.7° | 121.4° |
C15 | C7 | N6 | 124.9° | 117.3° |
C2 | C3 | C4 | 126.1° | 117.0° |
C3 | C2 | H11 | 118.8° | 119.7° |
C3 | C4 | N6 | 124.8° | 124.4° |
C3 | C4 | O5 | 111.4° | 117.7° |
C8 | C7 | N6 | 124.2° | 121.3° |
C7 | C8 | C9 | 129.8° | 120.1° |
C7 | C8 | H1 | 115.1° | 120.0° |
C7 | N6 | C4 | 128.3° | 120.2° |
C7 | N6 | C23 | 116.0° | 119.9° |
N6 | C4 | O5 | 117.6° | 117.8° |
C4 | N6 | C23 | 111.8° | 119.9° |
C8 | C9 | C14 | 117.6° | 120.1° |
C8 | C9 | C10 | 124.0° | 120.2° |
C9 | C8 | H1 | 115.1° | 120.0° |
N6 | C23 | H14 | 109.5° | 109.5° |
N6 | C23 | H12 | 109.5° | 109.4° |
N6 | C23 | H13 | 109.4° | 109.5° |
C14 | C9 | C10 | 118.4° | 119.6° |
C9 | C14 | C13 | 122.0° | 119.9° |
C9 | C14 | H15 | 119.0° | 120.1° |
C9 | C10 | C11 | 119.9° | 119.8° |
C9 | C10 | H2 | 120.1° | 120.1° |
C14 | C13 | C12 | 119.1° | 120.1° |
C14 | C13 | H3 | 120.5° | 119.9° |
C13 | C14 | H15 | 119.0° | 120.1° |
C10 | C11 | C12 | 121.2° | 120.2° |
C11 | C10 | H2 | 120.1° | 120.1° |
C10 | C11 | H16 | 119.4° | 119.9° |
C13 | C12 | C11 | 119.5° | 120.4° |
C12 | C13 | H3 | 120.4° | 119.9° |
C13 | C12 | H17 | 120.2° | 119.8° |
C11 | C12 | H17 | 120.3° | 119.8° |
C12 | C11 | H16 | 119.4° | 120.0° |
H14 | C23 | H12 | 109.5° | 109.4° |
H14 | C23 | H13 | 109.4° | 109.5° |
H12 | C23 | H13 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C20 | C19 | C18 | H9 | 180.0° | 178.9° |
C19 | C20 | C1 | H4 | 180.0° | 179.2° |
C20 | C19 | C18 | N17 | 179.7° | 179.8° |
C20 | C19 | C18 | C3 | 0.9° | 0.6° |
C19 | C20 | C1 | C2 | 0.6° | 0.9° |
C19 | C20 | C1 | H10 | 179.4° | 179.9° |
C18 | C19 | C20 | C1 | 0.9° | 1.1° |
C19 | C18 | N17 | C3 | 179.5° | 179.1° |
C19 | C18 | N17 | C15 | 136.5° | 139.1° |
C19 | C18 | C3 | C2 | 2.9° | 0.0° |
C19 | C18 | C3 | C4 | 176.9° | 179.7° |
C18 | C19 | C20 | H4 | 179.1° | 179.8° |
C19 | C18 | N17 | H8 | 43.5° | 40.1° |
C20 | C1 | C2 | H10 | 180.0° | 179.2° |
C20 | C1 | C2 | C3 | 1.6° | 0.3° |
C1 | C20 | C19 | H9 | 179.1° | 180.0° |
C20 | C1 | C2 | H11 | 178.4° | 179.7° |
C18 | N17 | C15 | H8 | 180.0° | 179.2° |
C18 | N17 | C15 | O16 | 156.0° | 171.9° |
C18 | N17 | C15 | C7 | 20.0° | 8.1° |
N17 | C18 | C3 | C2 | 177.6° | 179.1° |
N17 | C18 | C3 | C4 | 3.6° | 1.2° |
N17 | C18 | C19 | H9 | 0.3° | 1.3° |
C15 | N17 | C18 | C3 | 43.0° | 41.8° |
N17 | C15 | O16 | C7 | 176.0° | 180.0° |
N17 | C15 | C7 | C8 | 140.8° | 121.3° |
N17 | C15 | C7 | N6 | 44.1° | 58.7° |
C18 | C3 | C2 | C1 | 3.1° | 0.2° |
C18 | C3 | C2 | C4 | 173.6° | 179.7° |
C18 | C3 | C4 | N6 | 68.4° | 40.2° |
C18 | C3 | C4 | O5 | 140.1° | 140.1° |
C3 | C18 | N17 | H8 | 137.0° | 139.0° |
C3 | C18 | C19 | H9 | 179.1° | 179.5° |
C18 | C3 | C2 | H11 | 176.9° | 179.8° |
O16 | C15 | C7 | C8 | 34.6° | 58.7° |
O16 | C15 | C7 | N6 | 140.5° | 121.3° |
O16 | C15 | N17 | H8 | 24.0° | 7.2° |
C1 | C2 | C3 | H11 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 176.7° | 179.5° |
C2 | C1 | C20 | H4 | 179.4° | 179.9° |
C15 | C7 | C8 | N6 | 175.2° | 180.0° |
C15 | C7 | N6 | C4 | 45.2° | 58.3° |
C15 | C7 | C8 | C9 | 176.7° | 172.4° |
C15 | C7 | N6 | C23 | 110.3° | 121.8° |
C15 | C7 | C8 | H1 | 3.3° | 7.5° |
C7 | C15 | N17 | H8 | 160.0° | 172.7° |
C2 | C3 | C4 | N6 | 118.4° | 139.5° |
C2 | C3 | C4 | O5 | 33.1° | 40.2° |
C3 | C2 | C1 | H10 | 178.3° | 179.5° |
C3 | C4 | N6 | C7 | 40.5° | 5.7° |
C3 | C4 | N6 | O5 | 149.9° | 179.7° |
C3 | C4 | N6 | C23 | 163.1° | 174.2° |
C4 | C3 | C2 | H11 | 3.3° | 0.5° |
C8 | C7 | N6 | C4 | 140.3° | 121.8° |
C7 | C8 | C9 | H1 | 180.0° | 180.0° |
C8 | C7 | N6 | C23 | 64.2° | 58.2° |
C7 | C8 | C9 | C14 | 142.5° | 28.4° |
C7 | C8 | C9 | C10 | 36.4° | 151.6° |
C7 | N6 | C4 | C23 | 156.4° | 180.0° |
C7 | N6 | C4 | O5 | 169.7° | 174.6° |
N6 | C7 | C8 | C9 | 1.5° | 7.6° |
N6 | C7 | C8 | H1 | 178.5° | 172.4° |
C7 | N6 | C23 | H14 | 180.0° | 179.3° |
C7 | N6 | C23 | H12 | 60.0° | 59.4° |
C7 | N6 | C23 | H13 | 60.0° | 60.7° |
C4 | N6 | C23 | H14 | 20.5° | 0.7° |
C4 | N6 | C23 | H12 | 99.5° | 120.7° |
C4 | N6 | C23 | H13 | 140.5° | 119.3° |
O5 | C4 | N6 | C23 | 13.3° | 5.5° |
C8 | C9 | C14 | C10 | 179.0° | 180.0° |
C8 | C9 | C14 | C13 | 178.4° | 180.0° |
C8 | C9 | C10 | C11 | 178.5° | 180.0° |
C8 | C9 | C10 | H2 | 1.5° | 0.3° |
C8 | C9 | C14 | H15 | 1.7° | 0.1° |
N6 | C23 | H14 | H12 | 120.0° | 119.9° |
N6 | C23 | H14 | H13 | 120.0° | 120.0° |
N6 | C23 | H12 | H13 | 120.0° | 120.0° |
C9 | C14 | C13 | H15 | 180.0° | 179.9° |
C14 | C9 | C10 | C11 | 0.4° | 0.0° |
C9 | C14 | C13 | C12 | 0.9° | 0.2° |
C14 | C9 | C8 | H1 | 37.4° | 151.6° |
C14 | C9 | C10 | H2 | 179.6° | 179.6° |
C9 | C14 | C13 | H3 | 179.1° | 179.7° |
C10 | C9 | C14 | C13 | 0.6° | 0.0° |
C9 | C10 | C11 | H2 | 180.0° | 179.6° |
C9 | C10 | C11 | C12 | 0.6° | 0.3° |
C10 | C9 | C8 | H1 | 143.6° | 28.5° |
C10 | C9 | C14 | H15 | 179.4° | 180.0° |
C9 | C10 | C11 | H16 | 179.4° | 179.8° |
C14 | C13 | C12 | H3 | 180.0° | 179.4° |
C14 | C13 | C12 | C11 | 1.0° | 0.6° |
C14 | C13 | C12 | H17 | 179.0° | 179.5° |
C10 | C11 | C12 | C13 | 0.8° | 0.6° |
C10 | C11 | C12 | H16 | 180.0° | 179.9° |
C10 | C11 | C12 | H17 | 179.2° | 179.4° |
C13 | C12 | C11 | H17 | 180.0° | 180.0° |
C12 | C13 | C14 | H15 | 179.1° | 179.7° |
C13 | C12 | C11 | H16 | 179.1° | 179.5° |
C12 | C11 | C10 | H2 | 179.5° | 180.0° |
C11 | C12 | C13 | H3 | 179.0° | 180.0° |
H2 | C10 | C11 | H16 | 0.6° | 0.2° |
H3 | C13 | C14 | H15 | 0.9° | 0.2° |
H3 | C13 | C12 | H17 | 1.0° | 0.0° |
H4 | C20 | C19 | H9 | 0.9° | 0.8° |
H4 | C20 | C1 | H10 | 0.6° | 0.7° |
H10 | C1 | C2 | H11 | 1.6° | 0.5° |
H14 | C23 | H12 | H13 | 120.0° | 120.0° |
H17 | C12 | C11 | H16 | 0.9° | 0.4° |