A1CVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.50Å | |
| N1 | C3 | sing | 1.48Å | 1.51Å | |
| C3 | C4 | sing | 1.54Å | 1.51Å | |
| C4 | C5 | sing | 1.55Å | 1.51Å | |
| C5 | C6 | sing | 1.55Å | 1.50Å | |
| N1 | C6 | sing | 1.49Å | 1.51Å | |
| C2 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | O1 | doub | 1.21Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C8 | sing | 1.40Å | 1.43Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 115.5° | 109.5° |
| C1 | C2 | C7 | 111.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 105.5° | 109.4° |
| C2 | N1 | C3 | 114.3° | 111.0° |
| C2 | N1 | C6 | 115.0° | 111.0° |
| N1 | C2 | C7 | 112.3° | 109.5° |
| N1 | C2 | H4 | 105.8° | 109.5° |
| N1 | C3 | C4 | 103.9° | 107.0° |
| C3 | N1 | C6 | 103.4° | 105.8° |
| N1 | C3 | H6 | 110.8° | 109.9° |
| N1 | C3 | H7 | 110.8° | 110.1° |
| C3 | C4 | C5 | 106.6° | 105.2° |
| C4 | C3 | H6 | 110.9° | 109.9° |
| C4 | C3 | H7 | 110.9° | 109.9° |
| C3 | C4 | H8 | 110.2° | 110.3° |
| C3 | C4 | H9 | 110.2° | 110.3° |
| C4 | C5 | C6 | 102.0° | 102.9° |
| C5 | C4 | H8 | 110.2° | 110.3° |
| C5 | C4 | H9 | 110.2° | 110.3° |
| C4 | C5 | H10 | 111.3° | 110.7° |
| C4 | C5 | H11 | 111.3° | 110.7° |
| C5 | C6 | N1 | 100.3° | 103.2° |
| C6 | C5 | H10 | 111.3° | 110.7° |
| C6 | C5 | H11 | 111.3° | 110.8° |
| C5 | C6 | H12 | 111.7° | 110.7° |
| C5 | C6 | H13 | 111.7° | 110.6° |
| N1 | C6 | H12 | 111.7° | 110.7° |
| N1 | C6 | H13 | 111.7° | 110.8° |
| C2 | C7 | O1 | 120.7° | 120.0° |
| C2 | C7 | N2 | 115.6° | 120.0° |
| C7 | C2 | H4 | 105.5° | 109.5° |
| O1 | C7 | N2 | 123.7° | 120.0° |
| C7 | N2 | C8 | 125.6° | 120.0° |
| C7 | N2 | H14 | 117.2° | 120.0° |
| N2 | C8 | C9 | 119.1° | 120.1° |
| N2 | C8 | C14 | 118.8° | 120.1° |
| C8 | N2 | H14 | 117.2° | 120.0° |
| C8 | C9 | C10 | 121.5° | 120.0° |
| C8 | C9 | C11 | 117.7° | 120.0° |
| C9 | C8 | C14 | 122.1° | 119.8° |
| C10 | C9 | C11 | 120.8° | 120.0° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.4° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.4° |
| C9 | C11 | C12 | 121.3° | 120.0° |
| C9 | C11 | H18 | 119.4° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.2° |
| C12 | C11 | H18 | 119.4° | 120.0° |
| C11 | C12 | H19 | 120.0° | 119.9° |
| C12 | C13 | C14 | 121.2° | 120.1° |
| C13 | C12 | H19 | 120.0° | 119.9° |
| C12 | C13 | H20 | 119.4° | 120.0° |
| C13 | C14 | C8 | 117.8° | 119.9° |
| C13 | C14 | C15 | 120.8° | 120.1° |
| C14 | C13 | H20 | 119.4° | 119.9° |
| C8 | C14 | C15 | 121.4° | 120.0° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.6° |
| C14 | C15 | H23 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H15 | C10 | H17 | 109.4° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.4° | 109.5° |
| H21 | C15 | H23 | 109.5° | 109.4° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.9° |
| H8 | C4 | H9 | 109.4° | 110.3° |
| H10 | C5 | H11 | 109.4° | 110.9° |
| H12 | C6 | H13 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | C7 | 129.1° | 120.0° |
| C1 | C2 | N1 | H4 | 116.3° | 120.0° |
| C1 | C2 | N1 | C3 | 64.0° | 170.4° |
| C1 | C2 | N1 | C6 | 55.4° | 53.0° |
| C1 | C2 | C7 | H4 | 114.0° | 120.0° |
| C1 | C2 | C7 | O1 | 53.5° | 120.0° |
| C1 | C2 | C7 | N2 | 127.3° | 60.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C2 | N1 | C3 | C6 | 125.8° | 120.5° |
| C2 | N1 | C3 | C4 | 153.4° | 145.8° |
| C2 | N1 | C6 | C5 | 171.6° | 159.8° |
| N1 | C2 | C7 | H4 | 114.8° | 120.0° |
| N1 | C2 | C7 | O1 | 77.8° | 0.0° |
| N1 | C2 | C7 | N2 | 101.4° | 180.0° |
| N1 | C2 | C1 | H1 | 180.0° | 174.4° |
| N1 | C2 | C1 | H2 | 60.0° | 65.6° |
| N1 | C2 | C1 | H3 | 60.0° | 54.4° |
| C2 | N1 | C3 | H6 | 34.3° | 94.8° |
| C2 | N1 | C3 | H7 | 87.4° | 26.4° |
| C2 | N1 | C6 | H12 | 53.0° | 41.3° |
| C2 | N1 | C6 | H13 | 69.9° | 81.8° |
| N1 | C3 | C4 | H6 | 119.1° | 119.3° |
| N1 | C3 | C4 | H7 | 119.1° | 119.5° |
| N1 | C3 | C4 | C5 | 1.2° | 1.2° |
| C3 | N1 | C6 | C5 | 46.3° | 39.2° |
| C3 | N1 | C2 | C7 | 166.9° | 69.6° |
| C3 | N1 | C2 | H4 | 52.3° | 50.4° |
| N1 | C3 | H6 | H7 | 122.6° | 121.3° |
| N1 | C3 | C4 | H8 | 118.4° | 120.2° |
| N1 | C3 | C4 | H9 | 120.8° | 117.7° |
| C3 | N1 | C6 | H12 | 72.2° | 79.2° |
| C3 | N1 | C6 | H13 | 164.8° | 157.7° |
| C3 | C4 | C5 | H8 | 119.6° | 118.9° |
| C3 | C4 | C5 | H9 | 119.6° | 118.9° |
| C3 | C4 | C5 | C6 | 29.7° | 22.0° |
| C4 | C3 | N1 | C6 | 27.7° | 25.3° |
| C4 | C3 | H6 | H7 | 122.6° | 121.1° |
| C3 | C4 | H8 | H9 | 121.3° | 122.1° |
| C3 | C4 | C5 | H10 | 148.5° | 140.3° |
| C3 | C4 | C5 | H11 | 89.1° | 96.4° |
| C4 | C5 | C6 | H10 | 118.8° | 118.3° |
| C4 | C5 | C6 | H11 | 118.8° | 118.3° |
| C4 | C5 | C6 | N1 | 46.3° | 37.4° |
| C5 | C4 | C3 | H6 | 120.3° | 120.5° |
| C5 | C4 | C3 | H7 | 117.9° | 118.3° |
| C5 | C4 | H8 | H9 | 121.3° | 122.2° |
| C4 | C5 | H10 | H11 | 123.5° | 123.2° |
| C4 | C5 | C6 | H12 | 72.2° | 81.0° |
| C4 | C5 | C6 | H13 | 164.7° | 156.0° |
| C5 | C6 | N1 | H12 | 118.5° | 118.5° |
| C5 | C6 | N1 | H13 | 118.5° | 118.4° |
| C6 | C5 | C4 | H8 | 89.8° | 96.9° |
| C6 | C5 | C4 | H9 | 149.3° | 140.9° |
| C6 | C5 | H10 | H11 | 123.5° | 123.4° |
| C5 | C6 | H12 | H13 | 124.3° | 123.0° |
| C6 | N1 | C2 | C7 | 73.7° | 173.0° |
| C6 | N1 | C2 | H4 | 171.7° | 67.0° |
| C6 | N1 | C3 | H6 | 91.5° | 144.7° |
| C6 | N1 | C3 | H7 | 146.8° | 94.1° |
| N1 | C6 | C5 | H10 | 165.1° | 155.7° |
| N1 | C6 | C5 | H11 | 72.5° | 80.8° |
| N1 | C6 | H12 | H13 | 124.2° | 123.2° |
| C2 | C7 | O1 | N2 | 179.1° | 180.0° |
| C2 | C7 | N2 | C8 | 176.6° | 177.3° |
| C7 | C2 | C1 | H1 | 50.4° | 54.4° |
| C7 | C2 | C1 | H2 | 170.4° | 174.4° |
| C7 | C2 | C1 | H3 | 69.6° | 65.6° |
| C2 | C7 | N2 | H14 | 3.4° | 2.8° |
| O1 | C7 | N2 | C8 | 2.6° | 2.7° |
| O1 | C7 | C2 | H4 | 167.4° | 120.0° |
| O1 | C7 | N2 | H14 | 177.4° | 177.3° |
| C7 | N2 | C8 | H14 | 180.0° | 180.0° |
| C7 | N2 | C8 | C9 | 95.1° | 57.1° |
| C7 | N2 | C8 | C14 | 84.8° | 122.4° |
| N2 | C7 | C2 | H4 | 13.3° | 60.0° |
| N2 | C8 | C9 | C14 | 180.0° | 179.5° |
| N2 | C8 | C9 | C10 | 0.0° | 0.5° |
| N2 | C8 | C9 | C11 | 179.9° | 180.0° |
| N2 | C8 | C14 | C13 | 179.9° | 179.8° |
| N2 | C8 | C14 | C15 | 0.3° | 0.3° |
| C8 | C9 | C10 | C11 | 179.9° | 179.5° |
| C8 | C9 | C11 | C12 | 0.1° | 0.5° |
| C9 | C8 | C14 | C13 | 0.0° | 0.3° |
| C9 | C8 | C14 | C15 | 179.7° | 179.8° |
| C8 | C9 | C10 | H15 | 90.0° | 96.4° |
| C8 | C9 | C10 | H16 | 150.0° | 143.6° |
| C8 | C9 | C10 | H17 | 30.0° | 23.6° |
| C8 | C9 | C11 | H18 | 179.9° | 179.8° |
| C9 | C8 | N2 | H14 | 84.8° | 122.9° |
| C10 | C9 | C11 | C12 | 180.0° | 180.0° |
| C10 | C9 | C8 | C14 | 180.0° | 180.0° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C9 | C10 | H15 | H17 | 120.0° | 120.0° |
| C9 | C10 | H16 | H17 | 120.0° | 120.0° |
| C10 | C9 | C11 | H18 | 0.0° | 0.3° |
| C9 | C11 | C12 | H18 | 180.0° | 179.7° |
| C9 | C11 | C12 | C13 | 0.1° | 0.3° |
| C11 | C9 | C8 | C14 | 0.1° | 0.5° |
| C11 | C9 | C10 | H15 | 90.0° | 84.1° |
| C11 | C9 | C10 | H16 | 30.0° | 35.9° |
| C11 | C9 | C10 | H17 | 150.0° | 155.9° |
| C9 | C11 | C12 | H19 | 179.9° | 179.8° |
| C11 | C12 | C13 | H19 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H20 | 179.9° | 180.0° |
| C12 | C13 | C14 | H20 | 180.0° | 180.0° |
| C12 | C13 | C14 | C8 | 0.0° | 0.0° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | C12 | C11 | H18 | 179.9° | 180.0° |
| C13 | C14 | C8 | C15 | 179.8° | 180.0° |
| C14 | C13 | C12 | H19 | 180.0° | 180.0° |
| C13 | C14 | C15 | H21 | 90.1° | 95.4° |
| C13 | C14 | C15 | H22 | 149.9° | 144.6° |
| C13 | C14 | C15 | H23 | 29.9° | 24.5° |
| C8 | C14 | C13 | H20 | 180.0° | 180.0° |
| C8 | C14 | C15 | H21 | 90.1° | 84.6° |
| C8 | C14 | C15 | H22 | 29.9° | 35.4° |
| C8 | C14 | C15 | H23 | 149.9° | 155.4° |
| C14 | C8 | N2 | H14 | 95.2° | 57.6° |
| C15 | C14 | C13 | H20 | 0.3° | 0.0° |
| C14 | C15 | H21 | H22 | 120.0° | 120.1° |
| C14 | C15 | H21 | H23 | 120.0° | 120.0° |
| C14 | C15 | H22 | H23 | 120.0° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 63.6° | 65.6° |
| H2 | C1 | C2 | H4 | 56.4° | 54.4° |
| H3 | C1 | C2 | H4 | 176.4° | 174.3° |
| H15 | C10 | H16 | H17 | 120.0° | 120.1° |
| H18 | C11 | C12 | H19 | 0.1° | 0.1° |
| H19 | C12 | C13 | H20 | 0.1° | 0.0° |
| H21 | C15 | H22 | H23 | 120.0° | 119.9° |
| H6 | C3 | C4 | H8 | 0.8° | 120.5° |
| H6 | C3 | C4 | H9 | 120.1° | 1.6° |
| H7 | C3 | C4 | H8 | 122.5° | 0.6° |
| H7 | C3 | C4 | H9 | 1.7° | 122.7° |
| H8 | C4 | C5 | H10 | 29.0° | 21.4° |
| H8 | C4 | C5 | H11 | 151.3° | 144.7° |
| H9 | C4 | C5 | H10 | 91.9° | 100.8° |
| H9 | C4 | C5 | H11 | 30.5° | 22.5° |
| H10 | C5 | C6 | H12 | 46.6° | 37.3° |
| H10 | C5 | C6 | H13 | 76.5° | 85.7° |
| H11 | C5 | C6 | H12 | 169.0° | 160.7° |
| H11 | C5 | C6 | H13 | 45.9° | 37.7° |
