A1CVH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.40Å | 1.40Å | |
| N2 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| N2 | C13 | sing | 1.47Å | 1.46Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 113.8° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.4° |
| C1 | N1 | H4 | 108.4° | 111.0° |
| N1 | C2 | C3 | 112.8° | 109.5° |
| N1 | C2 | H6 | 108.6° | 109.5° |
| N1 | C2 | H7 | 108.6° | 109.5° |
| C2 | N1 | H4 | 108.4° | 111.0° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C2 | C3 | C8 | 120.9° | 119.9° |
| C3 | C2 | H6 | 108.7° | 109.5° |
| C3 | C2 | H7 | 108.6° | 109.4° |
| C3 | C4 | C5 | 121.0° | 120.2° |
| C4 | C3 | C8 | 119.0° | 120.1° |
| C3 | C4 | H8 | 119.5° | 119.9° |
| C4 | C5 | C6 | 120.5° | 120.1° |
| C4 | C5 | H9 | 119.8° | 120.0° |
| C5 | C4 | H8 | 119.5° | 120.0° |
| C5 | C6 | C7 | 119.8° | 119.9° |
| C5 | C6 | H10 | 120.1° | 120.0° |
| C6 | C5 | H9 | 119.8° | 120.0° |
| C6 | C7 | C8 | 119.2° | 119.9° |
| C6 | C7 | N2 | 119.6° | 120.1° |
| C7 | C6 | H10 | 120.1° | 120.1° |
| C7 | C8 | C3 | 120.6° | 119.9° |
| C8 | C7 | N2 | 121.2° | 120.1° |
| C7 | C8 | H11 | 119.7° | 120.0° |
| C3 | C8 | H11 | 119.7° | 120.1° |
| C7 | N2 | C9 | 122.0° | 111.0° |
| C7 | N2 | C13 | 123.8° | 111.0° |
| N2 | C9 | C10 | 110.4° | 109.5° |
| C9 | N2 | C13 | 114.2° | 111.2° |
| N2 | C9 | H12 | 109.3° | 109.5° |
| N2 | C9 | H13 | 109.2° | 109.5° |
| C9 | C10 | C11 | 110.7° | 109.3° |
| C9 | C10 | H14 | 109.2° | 109.5° |
| C9 | C10 | H15 | 109.1° | 109.5° |
| C10 | C9 | H12 | 109.3° | 109.5° |
| C10 | C9 | H13 | 109.3° | 109.4° |
| C10 | C11 | C12 | 109.7° | 109.2° |
| C11 | C10 | H14 | 109.1° | 109.5° |
| C11 | C10 | H15 | 109.2° | 109.5° |
| C10 | C11 | H16 | 109.4° | 109.5° |
| C10 | C11 | H17 | 109.4° | 109.6° |
| C11 | C12 | C13 | 111.0° | 109.3° |
| C12 | C11 | H16 | 109.4° | 109.5° |
| C12 | C11 | H17 | 109.4° | 109.5° |
| C11 | C12 | H18 | 109.1° | 109.5° |
| C11 | C12 | H19 | 109.1° | 109.5° |
| C12 | C13 | N2 | 110.8° | 109.5° |
| C13 | C12 | H18 | 109.1° | 109.5° |
| C13 | C12 | H19 | 109.1° | 109.5° |
| C12 | C13 | H20 | 109.1° | 109.5° |
| C12 | C13 | H21 | 109.1° | 109.5° |
| N2 | C13 | H20 | 109.1° | 109.5° |
| N2 | C13 | H21 | 109.2° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H6 | C2 | H7 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 120.7° | 123.9° |
| C1 | N1 | C2 | C3 | 177.8° | 180.0° |
| C1 | N1 | C2 | H6 | 57.3° | 60.0° |
| C1 | N1 | C2 | H7 | 61.7° | 60.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.1° |
| N1 | C1 | H1 | H3 | 120.0° | 119.9° |
| N1 | C1 | H2 | H3 | 120.0° | 119.9° |
| N1 | C2 | C3 | H6 | 120.5° | 120.1° |
| N1 | C2 | C3 | H7 | 120.5° | 120.0° |
| N1 | C2 | C3 | C4 | 148.6° | 90.0° |
| N1 | C2 | C3 | C8 | 31.8° | 90.0° |
| N1 | C2 | H6 | H7 | 118.5° | 120.0° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | H2 | 60.0° | 59.9° |
| C2 | N1 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | C4 | C8 | 179.6° | 180.0° |
| C2 | C3 | C4 | C5 | 179.7° | 180.0° |
| C2 | C3 | C8 | C7 | 179.8° | 180.0° |
| C2 | C3 | C4 | H8 | 0.3° | 0.0° |
| C3 | C2 | H6 | H7 | 118.5° | 120.0° |
| C2 | C3 | C8 | H11 | 0.2° | 0.0° |
| C3 | C2 | N1 | H4 | 61.6° | 56.1° |
| C3 | C4 | C5 | H8 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | C8 | C7 | 0.2° | 0.0° |
| C3 | C4 | C5 | H9 | 179.7° | 180.0° |
| C4 | C3 | C2 | H6 | 90.9° | 150.0° |
| C4 | C3 | C2 | H7 | 28.1° | 30.0° |
| C4 | C3 | C8 | H11 | 179.8° | 180.0° |
| C4 | C5 | C6 | H9 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C5 | C4 | C3 | C8 | 0.2° | 0.0° |
| C4 | C5 | C6 | H10 | 179.7° | 179.7° |
| C5 | C6 | C7 | H10 | 180.0° | 179.8° |
| C5 | C6 | C7 | C8 | 0.4° | 0.1° |
| C5 | C6 | C7 | N2 | 179.9° | 179.7° |
| C6 | C5 | C4 | H8 | 179.8° | 180.0° |
| C6 | C7 | C8 | N2 | 179.5° | 179.7° |
| C6 | C7 | C8 | C3 | 0.3° | 0.0° |
| C6 | C7 | N2 | C9 | 40.8° | 0.0° |
| C6 | C7 | N2 | C13 | 138.7° | 124.1° |
| C7 | C6 | C5 | H9 | 179.6° | 179.9° |
| C6 | C7 | C8 | H11 | 179.7° | 180.0° |
| C7 | C8 | C3 | H11 | 180.0° | 180.0° |
| C8 | C7 | N2 | C9 | 138.7° | 179.7° |
| C8 | C7 | N2 | C13 | 41.9° | 55.5° |
| C8 | C7 | C6 | H10 | 179.6° | 179.7° |
| C3 | C8 | C7 | N2 | 179.8° | 179.7° |
| C8 | C3 | C4 | H8 | 179.8° | 180.0° |
| C8 | C3 | C2 | H6 | 88.7° | 30.0° |
| C8 | C3 | C2 | H7 | 152.3° | 150.0° |
| C7 | N2 | C9 | C13 | 179.5° | 124.1° |
| C7 | N2 | C9 | C10 | 124.5° | 174.2° |
| C7 | N2 | C13 | C12 | 125.4° | 174.2° |
| N2 | C7 | C6 | H10 | 0.1° | 0.1° |
| N2 | C7 | C8 | H11 | 0.2° | 0.3° |
| C7 | N2 | C9 | H12 | 4.4° | 54.2° |
| C7 | N2 | C9 | H13 | 115.3° | 65.9° |
| C7 | N2 | C13 | H20 | 5.2° | 65.8° |
| C7 | N2 | C13 | H21 | 114.4° | 54.2° |
| N2 | C9 | C10 | H12 | 120.1° | 120.0° |
| N2 | C9 | C10 | H13 | 120.1° | 120.0° |
| N2 | C9 | C10 | C11 | 56.1° | 59.2° |
| C9 | N2 | C13 | C12 | 55.1° | 61.8° |
| N2 | C9 | C10 | H14 | 64.1° | 179.1° |
| N2 | C9 | C10 | H15 | 176.3° | 60.8° |
| N2 | C9 | H12 | H13 | 119.6° | 120.0° |
| C9 | N2 | C13 | H20 | 175.3° | 58.3° |
| C9 | N2 | C13 | H21 | 65.1° | 178.2° |
| C9 | C10 | C11 | H14 | 120.2° | 120.0° |
| C9 | C10 | C11 | H15 | 120.2° | 120.0° |
| C9 | C10 | C11 | C12 | 56.7° | 57.6° |
| C10 | C9 | N2 | C13 | 56.0° | 61.8° |
| C9 | C10 | H14 | H15 | 119.4° | 120.1° |
| C10 | C9 | H12 | H13 | 119.6° | 120.0° |
| C9 | C10 | C11 | H16 | 176.7° | 62.3° |
| C9 | C10 | C11 | H17 | 63.3° | 177.6° |
| C10 | C11 | C12 | H16 | 120.0° | 119.9° |
| C10 | C11 | C12 | H17 | 120.0° | 120.0° |
| C10 | C11 | C12 | C13 | 55.8° | 57.7° |
| C11 | C10 | H14 | H15 | 119.4° | 120.1° |
| C11 | C10 | C9 | H12 | 176.2° | 179.2° |
| C11 | C10 | C9 | H13 | 64.0° | 60.8° |
| C10 | C11 | H16 | H17 | 119.9° | 120.2° |
| C10 | C11 | C12 | H18 | 64.4° | 177.6° |
| C10 | C11 | C12 | H19 | 176.0° | 62.3° |
| C11 | C12 | C13 | H18 | 120.2° | 120.0° |
| C11 | C12 | C13 | H19 | 120.3° | 120.0° |
| C11 | C12 | C13 | N2 | 54.3° | 59.2° |
| C12 | C11 | C10 | H14 | 63.5° | 177.6° |
| C12 | C11 | C10 | H15 | 176.9° | 62.3° |
| C12 | C11 | H16 | H17 | 119.9° | 120.1° |
| C11 | C12 | H18 | H19 | 119.3° | 120.1° |
| C11 | C12 | C13 | H20 | 174.5° | 60.8° |
| C11 | C12 | C13 | H21 | 65.9° | 179.2° |
| C12 | C13 | N2 | H20 | 120.2° | 120.0° |
| C12 | C13 | N2 | H21 | 120.2° | 120.0° |
| C13 | C12 | C11 | H16 | 175.8° | 62.3° |
| C13 | C12 | C11 | H17 | 64.2° | 177.6° |
| C13 | C12 | H18 | H19 | 119.3° | 120.1° |
| C12 | C13 | H20 | H21 | 119.4° | 120.0° |
| C13 | N2 | C9 | H12 | 176.1° | 178.3° |
| C13 | N2 | C9 | H13 | 64.1° | 58.2° |
| N2 | C13 | C12 | H18 | 65.9° | 179.2° |
| N2 | C13 | C12 | H19 | 174.6° | 60.8° |
| N2 | C13 | H20 | H21 | 119.4° | 119.9° |
| H14 | C10 | C9 | H12 | 56.1° | 60.9° |
| H14 | C10 | C9 | H13 | 175.8° | 59.1° |
| H14 | C10 | C11 | H16 | 56.5° | 57.7° |
| H14 | C10 | C11 | H17 | 176.5° | 62.5° |
| H15 | C10 | C9 | H12 | 63.6° | 59.2° |
| H15 | C10 | C9 | H13 | 56.1° | 179.2° |
| H15 | C10 | C11 | H16 | 63.1° | 177.8° |
| H15 | C10 | C11 | H17 | 56.9° | 57.6° |
| H10 | C6 | C5 | H9 | 0.3° | 0.3° |
| H9 | C5 | C4 | H8 | 0.3° | 0.0° |
| H6 | C2 | N1 | H4 | 177.9° | 63.9° |
| H7 | C2 | N1 | H4 | 58.9° | 176.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N1 | H4 | 59.3° | 56.1° |
| H2 | C1 | N1 | H4 | 60.7° | 64.0° |
| H3 | C1 | N1 | H4 | 179.4° | 176.1° |
| H16 | C11 | C12 | H18 | 55.6° | 57.7° |
| H16 | C11 | C12 | H19 | 63.9° | 177.8° |
| H17 | C11 | C12 | H18 | 175.6° | 62.4° |
| H17 | C11 | C12 | H19 | 56.0° | 57.7° |
| H18 | C12 | C13 | H20 | 54.3° | 59.1° |
| H18 | C12 | C13 | H21 | 173.9° | 60.9° |
| H19 | C12 | C13 | H20 | 65.2° | 179.2° |
| H19 | C12 | C13 | H21 | 54.4° | 59.2° |
