3C8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| N12 | C14 | sing | 1.39Å | 1.39Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C14 | N19 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | N23 | doub | 1.34Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | C13 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| N23 | C22 | sing | 1.31Å | 1.31Å | Aromatic |
| N19 | C18 | sing | 1.33Å | 1.33Å | Aromatic |
| C18 | C20 | doub | 1.42Å | 1.42Å | Aromatic |
| C7 | N6 | doub | 1.31Å | 1.31Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| N6 | N4 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | N21 | doub | 1.32Å | 1.32Å | Aromatic |
| C20 | N21 | sing | 1.33Å | 1.33Å | Aromatic |
| C20 | N24 | sing | 1.38Å | 1.38Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.35Å | 1.35Å | Aromatic |
| N4 | C3 | sing | 1.35Å | 1.35Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| N24 | H18 | sing | 0.97Å | 1.00Å | |
| N24 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 108.8° | 109.3° |
| C10 | C11 | N12 | 115.1° | 109.5° |
| C10 | C11 | H1 | 108.0° | 109.5° |
| C10 | C11 | H2 | 108.1° | 109.4° |
| C11 | C10 | H7 | 109.7° | 109.6° |
| C11 | C10 | H8 | 109.6° | 109.5° |
| C10 | C9 | C8 | 104.2° | 109.2° |
| C10 | C9 | H4 | 110.8° | 109.5° |
| C10 | C9 | H6 | 110.8° | 109.5° |
| C9 | C10 | H7 | 109.6° | 109.5° |
| C9 | C10 | H8 | 109.6° | 109.5° |
| C11 | N12 | C14 | 108.4° | 111.0° |
| C11 | N12 | C13 | 116.3° | 111.2° |
| N12 | C11 | H1 | 108.1° | 109.5° |
| N12 | C11 | H2 | 108.1° | 109.4° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C15 | C16 | C17 | 118.0° | 118.1° |
| C16 | C15 | H15 | 120.1° | 120.0° |
| C15 | C16 | H16 | 121.0° | 120.9° |
| C15 | C14 | N12 | 119.4° | 119.3° |
| C15 | C14 | N19 | 121.9° | 121.4° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C16 | C17 | N23 | 122.1° | 121.9° |
| C16 | C17 | C18 | 119.0° | 119.1° |
| C17 | C16 | H16 | 121.0° | 121.0° |
| C14 | N12 | C13 | 107.1° | 111.0° |
| N12 | C14 | N19 | 118.7° | 119.3° |
| N12 | C13 | C8 | 111.7° | 109.5° |
| N12 | C13 | H9 | 108.9° | 109.5° |
| N12 | C13 | H10 | 108.9° | 109.4° |
| C9 | C8 | C13 | 107.7° | 109.3° |
| C9 | C8 | C7 | 113.0° | 109.5° |
| C9 | C8 | H3 | 108.0° | 109.5° |
| C8 | C9 | H4 | 110.8° | 109.5° |
| C8 | C9 | H6 | 110.8° | 109.5° |
| C14 | N19 | C18 | 120.6° | 121.1° |
| N23 | C17 | C18 | 118.9° | 119.0° |
| C17 | N23 | C22 | 120.7° | 120.5° |
| C17 | C18 | N19 | 120.7° | 120.3° |
| C17 | C18 | C20 | 117.8° | 117.9° |
| C13 | C8 | C7 | 111.6° | 109.5° |
| C13 | C8 | H3 | 108.0° | 109.5° |
| C8 | C13 | H9 | 108.9° | 109.5° |
| C8 | C13 | H10 | 108.9° | 109.5° |
| C8 | C7 | N6 | 122.9° | 125.9° |
| C8 | C7 | C2 | 128.8° | 125.9° |
| C7 | C8 | H3 | 108.2° | 109.5° |
| N23 | C22 | N21 | 122.4° | 122.8° |
| N23 | C22 | H17 | 118.8° | 118.6° |
| N19 | C18 | C20 | 121.5° | 121.8° |
| C18 | C20 | N21 | 118.4° | 118.3° |
| C18 | C20 | N24 | 120.4° | 120.9° |
| N6 | C7 | C2 | 108.3° | 108.2° |
| C7 | N6 | N4 | 107.9° | 108.2° |
| C7 | C2 | C1 | 128.1° | 126.0° |
| C7 | C2 | C3 | 107.6° | 107.9° |
| N6 | N4 | C3 | 108.2° | 107.9° |
| N6 | N4 | H5 | 125.9° | 126.1° |
| C22 | N21 | C20 | 121.7° | 121.5° |
| N21 | C22 | H17 | 118.8° | 118.6° |
| N21 | C20 | N24 | 121.2° | 120.8° |
| C20 | N24 | H18 | 109.5° | 120.0° |
| C20 | N24 | H19 | 109.5° | 120.1° |
| C1 | C2 | C3 | 124.3° | 126.0° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.4° | 109.4° |
| C2 | C3 | N4 | 108.0° | 107.7° |
| C2 | C3 | H11 | 126.0° | 126.1° |
| N4 | C3 | H11 | 126.0° | 126.2° |
| C3 | N4 | H5 | 125.9° | 126.0° |
| H1 | C11 | H2 | 109.5° | 109.4° |
| H4 | C9 | H6 | 109.4° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H14 | 109.4° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H18 | N24 | H19 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H7 | 119.9° | 120.0° |
| C11 | C10 | C9 | H8 | 119.9° | 120.0° |
| C10 | C11 | N12 | H1 | 120.8° | 120.1° |
| C10 | C11 | N12 | H2 | 120.8° | 120.0° |
| C10 | C11 | N12 | C14 | 158.1° | 174.2° |
| C10 | C11 | N12 | C13 | 37.3° | 61.7° |
| C11 | C10 | C9 | C8 | 65.3° | 57.6° |
| C10 | C11 | H1 | H2 | 117.5° | 120.0° |
| C11 | C10 | C9 | H4 | 53.9° | 177.6° |
| C11 | C10 | C9 | H6 | 175.5° | 62.3° |
| C11 | C10 | H7 | H8 | 120.3° | 120.1° |
| C9 | C10 | C11 | N12 | 49.1° | 59.1° |
| C10 | C9 | C8 | H4 | 119.2° | 119.9° |
| C10 | C9 | C8 | H6 | 119.2° | 119.9° |
| C10 | C9 | C8 | C13 | 71.5° | 57.6° |
| C10 | C9 | C8 | C7 | 164.7° | 177.6° |
| C9 | C10 | C11 | H1 | 170.0° | 179.2° |
| C9 | C10 | C11 | H2 | 71.7° | 60.8° |
| C10 | C9 | C8 | H3 | 45.0° | 62.3° |
| C10 | C9 | H4 | H6 | 122.4° | 120.1° |
| C9 | C10 | H7 | H8 | 120.3° | 120.0° |
| C11 | N12 | C14 | C15 | 8.5° | 55.8° |
| C11 | N12 | C14 | C13 | 126.3° | 124.2° |
| C11 | N12 | C14 | N19 | 170.4° | 124.0° |
| C11 | N12 | C13 | C8 | 42.0° | 61.8° |
| N12 | C11 | H1 | H2 | 117.5° | 119.9° |
| N12 | C11 | C10 | H7 | 169.0° | 179.1° |
| N12 | C11 | C10 | H8 | 70.7° | 60.8° |
| C11 | N12 | C13 | H9 | 162.4° | 58.3° |
| C11 | N12 | C13 | H10 | 78.3° | 178.2° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | N12 | 179.6° | 179.8° |
| C16 | C15 | C14 | N19 | 0.7° | 0.0° |
| C15 | C16 | C17 | N23 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C15 | C14 | N12 | N19 | 179.0° | 179.8° |
| C15 | C14 | N12 | C13 | 134.8° | 180.0° |
| C15 | C14 | N19 | C18 | 0.6° | 0.0° |
| C14 | C15 | C16 | H16 | 179.6° | 180.0° |
| C16 | C17 | N23 | C18 | 180.0° | 180.0° |
| C16 | C17 | N23 | C22 | 179.9° | 180.0° |
| C16 | C17 | C18 | N19 | 0.1° | 0.0° |
| C16 | C17 | C18 | C20 | 179.7° | 179.9° |
| C17 | C16 | C15 | H15 | 179.6° | 180.0° |
| C14 | N12 | C13 | C8 | 163.5° | 174.2° |
| N12 | C14 | N19 | C18 | 179.5° | 179.7° |
| C14 | N12 | C11 | H1 | 81.1° | 54.1° |
| C14 | N12 | C11 | H2 | 37.3° | 65.8° |
| C14 | N12 | C13 | H9 | 76.2° | 65.8° |
| C14 | N12 | C13 | H10 | 43.2° | 54.2° |
| N12 | C14 | C15 | H15 | 0.4° | 0.3° |
| N12 | C13 | C8 | C9 | 59.9° | 59.2° |
| C13 | N12 | C14 | N19 | 44.2° | 0.2° |
| N12 | C13 | C8 | H9 | 120.4° | 120.0° |
| N12 | C13 | C8 | H10 | 120.3° | 120.0° |
| N12 | C13 | C8 | C7 | 175.5° | 179.1° |
| C13 | N12 | C11 | H1 | 158.1° | 178.1° |
| C13 | N12 | C11 | H2 | 83.5° | 58.2° |
| N12 | C13 | C8 | H3 | 56.6° | 60.7° |
| N12 | C13 | H9 | H10 | 119.0° | 120.0° |
| C9 | C8 | C13 | C7 | 124.6° | 119.9° |
| C9 | C8 | C13 | H3 | 116.5° | 119.9° |
| C9 | C8 | C7 | H3 | 119.6° | 120.1° |
| C9 | C8 | C7 | N6 | 95.5° | 59.8° |
| C9 | C8 | C7 | C2 | 87.0° | 120.5° |
| C8 | C9 | H4 | H6 | 122.5° | 120.2° |
| C8 | C9 | C10 | H7 | 174.8° | 177.6° |
| C8 | C9 | C10 | H8 | 54.6° | 62.3° |
| C9 | C8 | C13 | H9 | 179.7° | 60.9° |
| C9 | C8 | C13 | H10 | 60.4° | 179.2° |
| C14 | N19 | C18 | C17 | 0.2° | 0.0° |
| C14 | N19 | C18 | C20 | 179.4° | 180.0° |
| N19 | C14 | C15 | H15 | 179.3° | 180.0° |
| N23 | C17 | C18 | N19 | 179.9° | 180.0° |
| N23 | C17 | C18 | C20 | 0.3° | 0.0° |
| C17 | N23 | C22 | N21 | 0.9° | 0.0° |
| N23 | C17 | C16 | H16 | 0.0° | 0.0° |
| C17 | N23 | C22 | H17 | 179.1° | 180.0° |
| C18 | C17 | N23 | C22 | 0.1° | 0.0° |
| C17 | C18 | N19 | C20 | 179.6° | 179.9° |
| C17 | C18 | C20 | N21 | 0.1° | 0.0° |
| C17 | C18 | C20 | N24 | 179.5° | 180.0° |
| C18 | C17 | C16 | H16 | 180.0° | 180.0° |
| C13 | C8 | C7 | H3 | 118.7° | 120.1° |
| C13 | C8 | C7 | N6 | 142.9° | 59.9° |
| C13 | C8 | C7 | C2 | 34.6° | 119.7° |
| C13 | C8 | C9 | H4 | 47.7° | 177.6° |
| C13 | C8 | C9 | H6 | 169.4° | 62.3° |
| C8 | C13 | H9 | H10 | 119.0° | 120.0° |
| C8 | C7 | N6 | C2 | 177.9° | 179.7° |
| C8 | C7 | N6 | N4 | 179.2° | 179.7° |
| C8 | C7 | C2 | C1 | 1.6° | 0.3° |
| C8 | C7 | C2 | C3 | 178.7° | 179.7° |
| C7 | C8 | C9 | H4 | 76.2° | 62.5° |
| C7 | C8 | C9 | H6 | 45.5° | 57.7° |
| C7 | C8 | C13 | H9 | 55.1° | 59.1° |
| C7 | C8 | C13 | H10 | 64.2° | 60.9° |
| N23 | C22 | N21 | H17 | 180.0° | 180.0° |
| N23 | C22 | N21 | C20 | 1.2° | 0.0° |
| N19 | C18 | C20 | N21 | 179.7° | 179.9° |
| N19 | C18 | C20 | N24 | 0.9° | 0.1° |
| C18 | C20 | N21 | C22 | 0.7° | 0.0° |
| C18 | C20 | N21 | N24 | 179.4° | 180.0° |
| C18 | C20 | N24 | H18 | 179.4° | 0.0° |
| C18 | C20 | N24 | H19 | 59.4° | 180.0° |
| N6 | C7 | C2 | C1 | 179.4° | 180.0° |
| N6 | C7 | C2 | C3 | 0.9° | 0.0° |
| C7 | N6 | N4 | C3 | 1.2° | 0.0° |
| N6 | C7 | C8 | H3 | 24.1° | 179.9° |
| C7 | N6 | N4 | H5 | 178.9° | 180.0° |
| C2 | C7 | N6 | N4 | 1.2° | 0.0° |
| C7 | C2 | C1 | C3 | 179.7° | 180.0° |
| C7 | C2 | C3 | N4 | 0.1° | 0.0° |
| C2 | C7 | C8 | H3 | 153.4° | 0.4° |
| C7 | C2 | C3 | H11 | 179.9° | 180.0° |
| C7 | C2 | C1 | H12 | 89.8° | 90.0° |
| C7 | C2 | C1 | H13 | 150.2° | 150.0° |
| C7 | C2 | C1 | H14 | 30.2° | 30.0° |
| N6 | N4 | C3 | C2 | 0.6° | 0.0° |
| N6 | N4 | C3 | H5 | 180.0° | 180.0° |
| N6 | N4 | C3 | H11 | 179.4° | 180.0° |
| C22 | N21 | C20 | N24 | 178.8° | 180.0° |
| C20 | N21 | C22 | H17 | 178.8° | 180.0° |
| N21 | C20 | N24 | H18 | 0.0° | 180.0° |
| N21 | C20 | N24 | H19 | 120.0° | 0.1° |
| C20 | N24 | H18 | H19 | 120.0° | 180.0° |
| C1 | C2 | C3 | N4 | 179.9° | 180.0° |
| C1 | C2 | C3 | H11 | 0.1° | 0.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 119.9° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C2 | C3 | N4 | H11 | 180.0° | 180.0° |
| C3 | C2 | C1 | H12 | 89.9° | 90.0° |
| C3 | C2 | C1 | H13 | 30.1° | 30.0° |
| C3 | C2 | C1 | H14 | 150.1° | 150.0° |
| C2 | C3 | N4 | H5 | 179.4° | 180.0° |
| H1 | C11 | C10 | H7 | 70.2° | 60.8° |
| H1 | C11 | C10 | H8 | 50.1° | 59.3° |
| H2 | C11 | C10 | H7 | 48.2° | 59.2° |
| H2 | C11 | C10 | H8 | 168.5° | 179.3° |
| H3 | C8 | C9 | H4 | 164.1° | 57.6° |
| H3 | C8 | C9 | H6 | 74.2° | 177.8° |
| H3 | C8 | C13 | H9 | 63.8° | 179.2° |
| H3 | C8 | C13 | H10 | 176.9° | 59.2° |
| H4 | C9 | C10 | H7 | 66.0° | 62.4° |
| H4 | C9 | C10 | H8 | 173.8° | 57.6° |
| H6 | C9 | C10 | H7 | 55.7° | 57.7° |
| H6 | C9 | C10 | H8 | 64.6° | 177.7° |
| H11 | C3 | N4 | H5 | 0.6° | 0.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H15 | C15 | C16 | H16 | 0.4° | 0.0° |
