A1CVF
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 | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.37Å | |
| N2 | C9 | sing | 1.48Å | 1.46Å | |
| C9 | C10 | sing | 1.46Å | 1.52Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C11 | N3 | sing | 1.44Å | 1.51Å | |
| N3 | C12 | sing | 1.47Å | 1.50Å | |
| N3 | C13 | sing | 1.48Å | 1.51Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| N2 | C14 | sing | 1.44Å | 1.46Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | 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 | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | 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 | 115.7° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C1 | N1 | H4 | 107.9° | 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 | 107.9° | 111.0° |
| C2 | C3 | C4 | 120.7° | 119.9° |
| C2 | C3 | C8 | 121.4° | 119.9° |
| C3 | C2 | H6 | 108.7° | 109.5° |
| C3 | C2 | H7 | 108.6° | 109.4° |
| C3 | C4 | C5 | 121.5° | 120.1° |
| C4 | C3 | C8 | 117.9° | 120.2° |
| C3 | C4 | H8 | 119.2° | 120.0° |
| C4 | C5 | C6 | 121.2° | 119.9° |
| C4 | C5 | H9 | 119.4° | 120.0° |
| C5 | C4 | H8 | 119.3° | 120.0° |
| C5 | C6 | C7 | 116.9° | 119.8° |
| C5 | C6 | N2 | 121.1° | 120.0° |
| C6 | C5 | H9 | 119.4° | 120.1° |
| C6 | C7 | C8 | 121.2° | 119.9° |
| C7 | C6 | N2 | 122.0° | 120.1° |
| C6 | C7 | H10 | 119.4° | 120.0° |
| C7 | C8 | C3 | 121.3° | 120.1° |
| C7 | C8 | H11 | 119.4° | 119.9° |
| C8 | C7 | H10 | 119.4° | 120.0° |
| C3 | C8 | H11 | 119.3° | 120.0° |
| C6 | N2 | C9 | 122.7° | 111.0° |
| C6 | N2 | C14 | 121.1° | 111.0° |
| N2 | C9 | C10 | 112.9° | 112.2° |
| C9 | N2 | C14 | 116.1° | 110.0° |
| N2 | C9 | H12 | 108.6° | 108.9° |
| N2 | C9 | H13 | 108.6° | 108.9° |
| C9 | C10 | C11 | 115.7° | 111.9° |
| C10 | C9 | H12 | 108.6° | 109.0° |
| C10 | C9 | H13 | 108.6° | 109.0° |
| C9 | C10 | H14 | 107.9° | 109.0° |
| C9 | C10 | H15 | 107.9° | 109.0° |
| C10 | C11 | N3 | 117.8° | 108.6° |
| C11 | C10 | H14 | 107.9° | 108.9° |
| C11 | C10 | H15 | 107.9° | 109.0° |
| C10 | C11 | H16 | 107.3° | 109.6° |
| C10 | C11 | H17 | 107.4° | 109.7° |
| C11 | N3 | C12 | 111.7° | 111.0° |
| C11 | N3 | C13 | 113.2° | 114.3° |
| N3 | C11 | H16 | 107.3° | 109.6° |
| N3 | C11 | H17 | 107.3° | 109.6° |
| C12 | N3 | C13 | 109.8° | 111.0° |
| N3 | C12 | H19 | 109.5° | 109.5° |
| N3 | C12 | H20 | 109.5° | 109.5° |
| N3 | C12 | H21 | 109.5° | 109.5° |
| N3 | C13 | C14 | 115.8° | 112.8° |
| N3 | C13 | H22 | 107.9° | 108.9° |
| N3 | C13 | H23 | 107.9° | 108.7° |
| C13 | C14 | N2 | 117.8° | 112.5° |
| C14 | C13 | H22 | 107.9° | 108.9° |
| C14 | C13 | H23 | 107.9° | 108.8° |
| C13 | C14 | H24 | 107.4° | 108.9° |
| C13 | C14 | H25 | 107.3° | 108.9° |
| N2 | C14 | H24 | 107.4° | 108.8° |
| N2 | C14 | H25 | 107.4° | 108.8° |
| H12 | C9 | H13 | 109.5° | 108.9° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H14 | C10 | H15 | 109.5° | 108.9° |
| H16 | C11 | H17 | 109.5° | 109.8° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H19 | C12 | H21 | 109.5° | 109.4° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.5° | 108.8° |
| H24 | C14 | H25 | 109.5° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 120.9° | 123.9° |
| C1 | N1 | C2 | C3 | 179.8° | 180.0° |
| C1 | N1 | C2 | H6 | 59.7° | 60.0° |
| C1 | N1 | C2 | H7 | 59.3° | 60.1° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 119.9° | 120.0° |
| N1 | C2 | C3 | H6 | 120.5° | 120.0° |
| N1 | C2 | C3 | H7 | 120.5° | 120.0° |
| N1 | C2 | C3 | C4 | 99.6° | 90.0° |
| N1 | C2 | C3 | C8 | 80.2° | 90.6° |
| N1 | C2 | H6 | H7 | 118.5° | 120.0° |
| C2 | N1 | C1 | H1 | 180.0° | 60.0° |
| C2 | N1 | C1 | H2 | 60.0° | 180.0° |
| C2 | N1 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | C4 | C8 | 179.8° | 179.4° |
| C2 | C3 | C4 | C5 | 179.9° | 180.0° |
| C2 | C3 | C8 | C7 | 179.9° | 180.0° |
| C2 | C3 | C8 | H11 | 0.1° | 0.3° |
| C2 | C3 | C4 | H8 | 0.1° | 0.2° |
| C3 | C2 | H6 | H7 | 118.5° | 120.0° |
| C3 | C2 | N1 | H4 | 58.9° | 56.1° |
| C3 | C4 | C5 | H8 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C4 | C3 | C8 | C7 | 0.1° | 0.5° |
| C4 | C3 | C8 | H11 | 179.9° | 179.7° |
| C3 | C4 | C5 | H9 | 179.8° | 179.8° |
| C4 | C3 | C2 | H6 | 139.9° | 150.0° |
| C4 | C3 | C2 | H7 | 20.8° | 30.0° |
| C4 | C5 | C6 | H9 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.8° | 0.0° |
| C5 | C4 | C3 | C8 | 0.3° | 0.5° |
| C4 | C5 | C6 | N2 | 179.1° | 180.0° |
| C5 | C6 | C7 | N2 | 178.4° | 180.0° |
| C5 | C6 | C7 | C8 | 0.9° | 0.1° |
| C5 | C6 | N2 | C9 | 167.7° | 119.8° |
| C5 | C6 | N2 | C14 | 14.8° | 117.5° |
| C5 | C6 | C7 | H10 | 179.1° | 180.0° |
| C6 | C5 | C4 | H8 | 179.8° | 179.9° |
| C6 | C7 | C8 | H10 | 180.0° | 179.9° |
| C6 | C7 | C8 | C3 | 0.5° | 0.2° |
| C7 | C6 | N2 | C9 | 14.0° | 60.2° |
| C7 | C6 | N2 | C14 | 163.5° | 62.4° |
| C6 | C7 | C8 | H11 | 179.5° | 180.0° |
| C7 | C6 | C5 | H9 | 179.2° | 179.9° |
| C7 | C8 | C3 | H11 | 180.0° | 179.8° |
| C8 | C7 | C6 | N2 | 179.3° | 180.0° |
| C3 | C8 | C7 | H10 | 179.5° | 179.7° |
| C8 | C3 | C4 | H8 | 179.7° | 179.7° |
| C8 | C3 | C2 | H6 | 40.3° | 29.5° |
| C8 | C3 | C2 | H7 | 159.4° | 149.5° |
| C6 | N2 | C9 | C14 | 177.6° | 123.2° |
| C6 | N2 | C9 | C10 | 173.7° | 156.5° |
| C6 | N2 | C14 | C13 | 110.9° | 142.9° |
| C6 | N2 | C9 | H12 | 53.2° | 35.8° |
| C6 | N2 | C9 | H13 | 65.7° | 82.8° |
| N2 | C6 | C7 | H10 | 0.7° | 0.1° |
| N2 | C6 | C5 | H9 | 0.9° | 0.0° |
| C6 | N2 | C14 | H24 | 127.9° | 96.4° |
| C6 | N2 | C14 | H25 | 10.3° | 22.2° |
| N2 | C9 | C10 | H12 | 120.5° | 120.7° |
| N2 | C9 | C10 | H13 | 120.5° | 120.6° |
| N2 | C9 | C10 | C11 | 73.1° | 60.9° |
| C9 | N2 | C14 | C13 | 71.4° | 93.9° |
| N2 | C9 | H12 | H13 | 118.4° | 118.6° |
| N2 | C9 | C10 | H14 | 47.9° | 178.5° |
| N2 | C9 | C10 | H15 | 166.0° | 59.8° |
| C9 | N2 | C14 | H24 | 49.8° | 26.8° |
| C9 | N2 | C14 | H25 | 167.4° | 145.4° |
| C9 | C10 | C11 | H14 | 120.9° | 120.6° |
| C9 | C10 | C11 | H15 | 120.9° | 120.7° |
| C9 | C10 | C11 | N3 | 33.0° | 78.6° |
| C10 | C9 | N2 | C14 | 3.9° | 80.3° |
| C10 | C9 | H12 | H13 | 118.5° | 118.7° |
| C9 | C10 | H14 | H15 | 117.1° | 118.8° |
| C9 | C10 | C11 | H16 | 154.2° | 41.1° |
| C9 | C10 | C11 | H17 | 88.2° | 161.6° |
| C10 | C11 | N3 | H16 | 121.2° | 119.7° |
| C10 | C11 | N3 | H17 | 121.2° | 119.8° |
| C10 | C11 | N3 | C12 | 175.9° | 140.2° |
| C10 | C11 | N3 | C13 | 51.4° | 93.4° |
| C11 | C10 | C9 | H12 | 166.4° | 178.4° |
| C11 | C10 | C9 | H13 | 47.4° | 59.7° |
| C11 | C10 | H14 | H15 | 117.2° | 118.8° |
| C10 | C11 | H16 | H17 | 116.2° | 120.5° |
| C11 | N3 | C12 | C13 | 126.5° | 128.2° |
| C11 | N3 | C13 | C14 | 48.3° | 41.9° |
| N3 | C11 | C10 | H14 | 87.9° | 160.8° |
| N3 | C11 | C10 | H15 | 153.9° | 42.1° |
| N3 | C11 | H16 | H17 | 116.2° | 120.4° |
| C11 | N3 | C12 | H19 | 180.0° | 60.0° |
| C11 | N3 | C12 | H20 | 60.0° | 180.0° |
| C11 | N3 | C12 | H21 | 60.0° | 60.0° |
| C11 | N3 | C13 | H22 | 72.6° | 162.8° |
| C11 | N3 | C13 | H23 | 169.2° | 78.9° |
| C12 | N3 | C13 | C14 | 173.8° | 168.3° |
| C12 | N3 | C11 | H16 | 54.8° | 100.1° |
| C12 | N3 | C11 | H17 | 62.8° | 20.4° |
| N3 | C12 | H19 | H20 | 120.0° | 120.0° |
| N3 | C12 | H19 | H21 | 120.0° | 120.0° |
| N3 | C12 | H20 | H21 | 120.0° | 120.1° |
| C12 | N3 | C13 | H22 | 52.9° | 70.8° |
| C12 | N3 | C13 | H23 | 65.2° | 47.5° |
| N3 | C13 | C14 | H22 | 120.9° | 120.9° |
| N3 | C13 | C14 | H23 | 120.9° | 120.7° |
| N3 | C13 | C14 | N2 | 37.7° | 41.6° |
| C13 | N3 | C11 | H16 | 69.8° | 26.3° |
| C13 | N3 | C11 | H17 | 172.6° | 146.8° |
| C13 | N3 | C12 | H19 | 53.5° | 171.7° |
| C13 | N3 | C12 | H20 | 66.5° | 51.8° |
| C13 | N3 | C12 | H21 | 173.5° | 68.3° |
| N3 | C13 | H22 | H23 | 117.1° | 118.3° |
| N3 | C13 | C14 | H24 | 83.5° | 79.1° |
| N3 | C13 | C14 | H25 | 158.9° | 162.3° |
| C13 | C14 | N2 | H24 | 121.2° | 120.8° |
| C13 | C14 | N2 | H25 | 121.2° | 120.7° |
| C14 | C13 | H22 | H23 | 117.2° | 118.4° |
| C13 | C14 | H24 | H25 | 116.2° | 118.6° |
| C14 | N2 | C9 | H12 | 124.4° | 159.0° |
| C14 | N2 | C9 | H13 | 116.6° | 40.4° |
| N2 | C14 | C13 | H22 | 158.6° | 79.3° |
| N2 | C14 | C13 | H23 | 83.2° | 162.3° |
| N2 | C14 | H24 | H25 | 116.2° | 118.5° |
| H12 | C9 | C10 | H14 | 72.7° | 57.9° |
| H12 | C9 | C10 | H15 | 45.5° | 60.9° |
| H13 | C9 | C10 | H14 | 168.4° | 60.8° |
| H13 | C9 | C10 | H15 | 73.5° | 179.6° |
| H11 | C8 | C7 | H10 | 0.5° | 0.1° |
| H9 | C5 | C4 | H8 | 0.2° | 0.0° |
| H6 | C2 | N1 | H4 | 179.4° | 63.9° |
| H7 | C2 | N1 | H4 | 61.6° | 176.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | N1 | H4 | 59.1° | 176.1° |
| H2 | C1 | N1 | H4 | 60.9° | 56.1° |
| H3 | C1 | N1 | H4 | 179.1° | 63.9° |
| H14 | C10 | C11 | H16 | 33.2° | 79.5° |
| H14 | C10 | C11 | H17 | 150.9° | 41.0° |
| H15 | C10 | C11 | H16 | 84.9° | 161.8° |
| H15 | C10 | C11 | H17 | 32.7° | 77.7° |
| H19 | C12 | H20 | H21 | 120.0° | 119.9° |
| H22 | C13 | C14 | H24 | 37.4° | 160.0° |
| H22 | C13 | C14 | H25 | 80.2° | 41.4° |
| H23 | C13 | C14 | H24 | 155.6° | 41.6° |
| H23 | C13 | C14 | H25 | 38.0° | 77.0° |
