A1CVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.24Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | N2 | sing | 1.47Å | 1.50Å | |
| N2 | C5 | sing | 1.47Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C12 | sing | 1.47Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C2 | C13 | sing | 1.53Å | 1.52Å | |
| C1 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.54Å | 1.54Å | |
| C15 | C16 | sing | 1.54Å | 1.53Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C14 | C17 | sing | 1.54Å | 1.54Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 122.7° | 120.0° |
| O1 | C1 | C14 | 121.5° | 120.0° |
| C1 | N1 | C2 | 126.4° | 120.0° |
| N1 | C1 | C14 | 115.7° | 120.0° |
| C1 | N1 | H1 | 116.8° | 120.0° |
| N1 | C2 | C3 | 111.1° | 109.5° |
| N1 | C2 | C13 | 112.0° | 109.6° |
| N1 | C2 | H2 | 108.0° | 109.6° |
| C2 | N1 | H1 | 116.8° | 120.0° |
| C2 | C3 | C4 | 110.7° | 109.2° |
| C3 | C2 | C13 | 110.7° | 109.2° |
| C3 | C2 | H2 | 107.4° | 109.5° |
| C2 | C3 | H3 | 109.2° | 109.5° |
| C2 | C3 | H4 | 109.2° | 109.5° |
| C3 | C4 | N2 | 111.6° | 109.5° |
| C4 | C3 | H3 | 109.2° | 109.5° |
| C4 | C3 | H4 | 109.2° | 109.5° |
| C3 | C4 | H5 | 108.9° | 109.4° |
| C3 | C4 | H6 | 109.0° | 109.5° |
| C4 | N2 | C5 | 109.3° | 111.0° |
| C4 | N2 | C12 | 111.5° | 111.2° |
| N2 | C4 | H5 | 109.0° | 109.5° |
| N2 | C4 | H6 | 108.9° | 109.5° |
| N2 | C5 | C6 | 115.9° | 109.5° |
| C5 | N2 | C12 | 113.6° | 111.0° |
| N2 | C5 | H8 | 107.8° | 109.5° |
| N2 | C5 | H9 | 107.9° | 109.4° |
| C5 | C6 | C7 | 121.1° | 120.0° |
| C5 | C6 | C11 | 120.3° | 120.0° |
| C6 | C5 | H8 | 107.9° | 109.5° |
| C6 | C5 | H9 | 107.8° | 109.4° |
| C6 | C7 | C8 | 120.5° | 120.0° |
| C7 | C6 | C11 | 118.6° | 120.0° |
| C6 | C7 | H10 | 119.8° | 120.0° |
| C7 | C8 | C9 | 120.3° | 120.0° |
| C8 | C7 | H10 | 119.8° | 120.0° |
| C7 | C8 | H11 | 119.9° | 119.9° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C9 | C8 | H11 | 119.9° | 120.1° |
| C8 | C9 | H12 | 120.0° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.0° |
| C9 | C10 | H13 | 119.9° | 120.0° |
| C10 | C9 | H12 | 120.1° | 120.0° |
| C10 | C11 | C6 | 120.5° | 120.0° |
| C10 | C11 | H14 | 119.7° | 120.0° |
| C11 | C10 | H13 | 119.9° | 120.0° |
| C6 | C11 | H14 | 119.7° | 120.0° |
| N2 | C12 | C13 | 111.8° | 109.5° |
| N2 | C12 | H15 | 108.9° | 109.5° |
| N2 | C12 | H16 | 108.9° | 109.5° |
| C12 | C13 | C2 | 111.4° | 109.3° |
| C13 | C12 | H15 | 108.9° | 109.5° |
| C13 | C12 | H16 | 108.9° | 109.4° |
| C12 | C13 | H17 | 109.0° | 109.5° |
| C12 | C13 | H18 | 109.0° | 109.5° |
| C13 | C2 | H2 | 107.4° | 109.5° |
| C2 | C13 | H17 | 109.0° | 109.5° |
| C2 | C13 | H18 | 109.0° | 109.5° |
| C1 | C14 | C15 | 119.4° | 113.6° |
| C1 | C14 | C17 | 120.0° | 113.6° |
| C1 | C14 | H19 | 110.0° | 112.9° |
| C14 | C15 | C16 | 86.6° | 87.1° |
| C15 | C14 | C17 | 86.0° | 87.1° |
| C15 | C14 | H19 | 109.6° | 113.6° |
| C14 | C15 | H20 | 114.9° | 113.6° |
| C14 | C15 | H21 | 114.9° | 113.6° |
| C15 | C16 | C17 | 86.9° | 87.1° |
| C16 | C15 | H20 | 114.8° | 113.6° |
| C16 | C15 | H21 | 114.9° | 113.6° |
| C15 | C16 | H22 | 114.8° | 113.6° |
| C15 | C16 | H23 | 114.8° | 113.6° |
| C16 | C17 | C14 | 86.5° | 87.1° |
| C17 | C16 | H22 | 114.8° | 113.6° |
| C17 | C16 | H23 | 114.8° | 113.6° |
| C16 | C17 | H24 | 114.8° | 113.6° |
| C16 | C17 | H25 | 114.9° | 113.6° |
| C17 | C14 | H19 | 109.6° | 113.7° |
| C14 | C17 | H24 | 114.9° | 113.6° |
| C14 | C17 | H25 | 114.9° | 113.6° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| H5 | C4 | H6 | 109.4° | 109.4° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.4° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 112.9° |
| H22 | C16 | H23 | 109.5° | 112.9° |
| H24 | C17 | H25 | 109.4° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C14 | 177.1° | 179.9° |
| O1 | C1 | N1 | C2 | 4.0° | 0.0° |
| O1 | C1 | C14 | C15 | 56.4° | 0.0° |
| O1 | C1 | C14 | C17 | 159.9° | 97.6° |
| O1 | C1 | N1 | H1 | 176.0° | 179.9° |
| O1 | C1 | C14 | H19 | 71.6° | 131.1° |
| C1 | N1 | C2 | H1 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 57.2° | 155.0° |
| C1 | N1 | C2 | C13 | 67.2° | 85.3° |
| N1 | C1 | C14 | C15 | 126.5° | 180.0° |
| N1 | C1 | C14 | C17 | 23.0° | 82.5° |
| C1 | N1 | C2 | H2 | 174.8° | 34.9° |
| N1 | C1 | C14 | H19 | 105.5° | 48.8° |
| N1 | C2 | C3 | C13 | 125.1° | 119.9° |
| N1 | C2 | C3 | H2 | 117.9° | 120.1° |
| N1 | C2 | C3 | C4 | 177.9° | 177.6° |
| N1 | C2 | C13 | C12 | 127.7° | 177.6° |
| N1 | C2 | C13 | H2 | 118.4° | 120.2° |
| C2 | N1 | C1 | C14 | 173.1° | 180.0° |
| N1 | C2 | C3 | H3 | 61.9° | 57.7° |
| N1 | C2 | C3 | H4 | 57.7° | 62.5° |
| N1 | C2 | C13 | H17 | 7.4° | 62.5° |
| N1 | C2 | C13 | H18 | 112.0° | 57.6° |
| C2 | C3 | C4 | H3 | 120.2° | 119.9° |
| C2 | C3 | C4 | H4 | 120.2° | 119.9° |
| C2 | C3 | C4 | N2 | 55.3° | 59.2° |
| C3 | C2 | C13 | C12 | 3.1° | 57.7° |
| C3 | C2 | C13 | H2 | 117.0° | 119.9° |
| C2 | C3 | H3 | H4 | 119.4° | 120.1° |
| C2 | C3 | C4 | H5 | 175.7° | 179.2° |
| C2 | C3 | C4 | H6 | 65.0° | 60.9° |
| C3 | C2 | N1 | H1 | 122.8° | 25.1° |
| C3 | C2 | C13 | H17 | 117.2° | 177.6° |
| C3 | C2 | C13 | H18 | 123.3° | 62.3° |
| C3 | C4 | N2 | H5 | 120.3° | 120.0° |
| C3 | C4 | N2 | H6 | 120.3° | 120.0° |
| C3 | C4 | N2 | C5 | 125.6° | 174.1° |
| C3 | C4 | N2 | C12 | 0.9° | 61.7° |
| C4 | C3 | C2 | C13 | 56.9° | 57.7° |
| C4 | C3 | C2 | H2 | 60.0° | 62.3° |
| C4 | C3 | H3 | H4 | 119.5° | 120.1° |
| C3 | C4 | H5 | H6 | 119.0° | 119.9° |
| C4 | N2 | C5 | C12 | 125.3° | 124.3° |
| C4 | N2 | C5 | C6 | 167.4° | 170.0° |
| C4 | N2 | C12 | C13 | 55.4° | 61.7° |
| N2 | C4 | C3 | H3 | 64.9° | 60.7° |
| N2 | C4 | C3 | H4 | 175.5° | 179.1° |
| N2 | C4 | H5 | H6 | 119.0° | 120.1° |
| C4 | N2 | C5 | H8 | 46.4° | 70.0° |
| C4 | N2 | C5 | H9 | 71.7° | 50.0° |
| C4 | N2 | C12 | H15 | 65.0° | 178.2° |
| C4 | N2 | C12 | H16 | 175.7° | 58.3° |
| N2 | C5 | C6 | H8 | 121.0° | 120.0° |
| N2 | C5 | C6 | H9 | 121.0° | 119.9° |
| N2 | C5 | C6 | C7 | 25.5° | 90.0° |
| N2 | C5 | C6 | C11 | 156.0° | 90.0° |
| C5 | N2 | C12 | C13 | 68.7° | 174.2° |
| C5 | N2 | C4 | H5 | 114.1° | 54.2° |
| C5 | N2 | C4 | H6 | 5.3° | 65.8° |
| N2 | C5 | H8 | H9 | 117.1° | 119.9° |
| C5 | N2 | C12 | H15 | 170.9° | 54.0° |
| C5 | N2 | C12 | H16 | 51.6° | 65.8° |
| C5 | C6 | C7 | C11 | 178.6° | 180.0° |
| C5 | C6 | C7 | C8 | 179.6° | 180.0° |
| C5 | C6 | C11 | C10 | 179.5° | 179.7° |
| C6 | C5 | N2 | C12 | 67.3° | 65.8° |
| C5 | C6 | C11 | H14 | 0.4° | 0.0° |
| C6 | C5 | H8 | H9 | 117.0° | 120.0° |
| C5 | C6 | C7 | H10 | 0.4° | 0.0° |
| C6 | C7 | C8 | H10 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.7° | 0.3° |
| C7 | C6 | C11 | C10 | 1.0° | 0.3° |
| C7 | C6 | C11 | H14 | 179.0° | 180.0° |
| C7 | C6 | C5 | H8 | 95.5° | 150.0° |
| C7 | C6 | C5 | H9 | 146.4° | 29.9° |
| C6 | C7 | C8 | H11 | 179.3° | 180.0° |
| C7 | C8 | C9 | H11 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.2° | 0.3° |
| C8 | C7 | C6 | C11 | 1.1° | 0.0° |
| C7 | C8 | C9 | H12 | 179.8° | 180.0° |
| C8 | C9 | C10 | H12 | 180.0° | 179.7° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H13 | 179.9° | 180.0° |
| C9 | C8 | C7 | H10 | 179.3° | 179.7° |
| C9 | C10 | C11 | H13 | 180.0° | 179.9° |
| C9 | C10 | C11 | C6 | 0.5° | 0.3° |
| C9 | C10 | C11 | H14 | 179.5° | 180.0° |
| C10 | C9 | C8 | H11 | 179.8° | 180.0° |
| C10 | C11 | C6 | H14 | 180.0° | 179.7° |
| C11 | C10 | C9 | H12 | 179.9° | 179.7° |
| C6 | C11 | C10 | H13 | 179.6° | 179.7° |
| C11 | C6 | C5 | H8 | 83.1° | 30.0° |
| C11 | C6 | C5 | H9 | 35.0° | 150.0° |
| C11 | C6 | C7 | H10 | 178.9° | 180.0° |
| N2 | C12 | C13 | H15 | 120.4° | 120.1° |
| N2 | C12 | C13 | H16 | 120.3° | 120.0° |
| N2 | C12 | C13 | C2 | 53.2° | 59.1° |
| C12 | N2 | C4 | H5 | 119.4° | 178.3° |
| C12 | N2 | C4 | H6 | 121.2° | 58.3° |
| C12 | N2 | C5 | H8 | 171.7° | 54.3° |
| C12 | N2 | C5 | H9 | 53.6° | 174.3° |
| N2 | C12 | H15 | H16 | 118.9° | 119.9° |
| N2 | C12 | C13 | H17 | 173.5° | 179.1° |
| N2 | C12 | C13 | H18 | 67.1° | 60.8° |
| C12 | C13 | C2 | H17 | 120.3° | 120.0° |
| C12 | C13 | C2 | H18 | 120.3° | 119.9° |
| C12 | C13 | C2 | H2 | 113.9° | 62.3° |
| C13 | C12 | H15 | H16 | 119.0° | 119.9° |
| C12 | C13 | H17 | H18 | 119.1° | 120.0° |
| C13 | C2 | C3 | H3 | 63.2° | 62.3° |
| C13 | C2 | C3 | H4 | 177.2° | 177.6° |
| C13 | C2 | N1 | H1 | 112.8° | 94.6° |
| C2 | C13 | C12 | H15 | 67.1° | 179.2° |
| C2 | C13 | C12 | H16 | 173.5° | 60.9° |
| C2 | C13 | H17 | H18 | 119.1° | 120.1° |
| C1 | C14 | C15 | C17 | 122.4° | 114.5° |
| C1 | C14 | C15 | H19 | 128.2° | 130.8° |
| C1 | C14 | C15 | C16 | 150.1° | 140.0° |
| C1 | C14 | C17 | C16 | 149.5° | 140.0° |
| C1 | C14 | C17 | H19 | 128.7° | 130.9° |
| C14 | C1 | N1 | H1 | 6.9° | 0.0° |
| C1 | C14 | C15 | H20 | 94.0° | 105.5° |
| C1 | C14 | C15 | H21 | 34.2° | 25.5° |
| C1 | C14 | C17 | H24 | 94.6° | 25.5° |
| C1 | C14 | C17 | H25 | 33.7° | 105.5° |
| C14 | C15 | C16 | H20 | 115.9° | 114.5° |
| C14 | C15 | C16 | H21 | 115.9° | 114.6° |
| C15 | C14 | C17 | C16 | 27.6° | 25.4° |
| C15 | C14 | C17 | H19 | 109.4° | 114.5° |
| C14 | C15 | H20 | H21 | 130.9° | 131.3° |
| C14 | C15 | C16 | H22 | 88.0° | 89.1° |
| C14 | C15 | C16 | H23 | 143.8° | 140.0° |
| C15 | C14 | C17 | H24 | 143.5° | 89.1° |
| C15 | C14 | C17 | H25 | 88.2° | 140.0° |
| C15 | C16 | C17 | H22 | 115.9° | 114.6° |
| C15 | C16 | C17 | H23 | 115.9° | 114.6° |
| C16 | C15 | C14 | H19 | 81.7° | 89.2° |
| C16 | C15 | H20 | H21 | 130.9° | 131.2° |
| C15 | C16 | H22 | H23 | 130.8° | 131.3° |
| C15 | C16 | C17 | H24 | 143.7° | 89.1° |
| C15 | C16 | C17 | H25 | 88.0° | 140.0° |
| C16 | C17 | C14 | H24 | 115.8° | 114.5° |
| C16 | C17 | C14 | H25 | 115.9° | 114.6° |
| C16 | C17 | C14 | H19 | 81.8° | 89.1° |
| C17 | C16 | C15 | H20 | 143.7° | 140.0° |
| C17 | C16 | C15 | H21 | 88.0° | 89.1° |
| C17 | C16 | H22 | H23 | 130.8° | 131.2° |
| C16 | C17 | H24 | H25 | 131.0° | 131.3° |
| C17 | C14 | C15 | H20 | 143.5° | 139.9° |
| C17 | C14 | C15 | H21 | 88.2° | 89.1° |
| C14 | C17 | C16 | H22 | 88.1° | 89.2° |
| C14 | C17 | C16 | H23 | 143.8° | 140.0° |
| C14 | C17 | H24 | H25 | 130.9° | 131.3° |
| H14 | C11 | C10 | H13 | 0.5° | 0.0° |
| H13 | C10 | C9 | H12 | 0.1° | 0.2° |
| H2 | C2 | C3 | H3 | 179.8° | 177.8° |
| H2 | C2 | C3 | H4 | 60.2° | 57.7° |
| H2 | C2 | N1 | H1 | 5.2° | 145.2° |
| H2 | C2 | C13 | H17 | 125.8° | 57.7° |
| H2 | C2 | C13 | H18 | 6.4° | 177.8° |
| H3 | C3 | C4 | H5 | 55.5° | 59.3° |
| H3 | C3 | C4 | H6 | 174.8° | 179.2° |
| H4 | C3 | C4 | H5 | 64.1° | 60.9° |
| H4 | C3 | C4 | H6 | 55.2° | 59.1° |
| H10 | C7 | C8 | H11 | 0.7° | 0.0° |
| H11 | C8 | C9 | H12 | 0.2° | 0.3° |
| H15 | C12 | C13 | H17 | 53.1° | 60.8° |
| H15 | C12 | C13 | H18 | 172.6° | 59.3° |
| H16 | C12 | C13 | H17 | 66.2° | 59.1° |
| H16 | C12 | C13 | H18 | 53.3° | 179.1° |
| H19 | C14 | C15 | H20 | 34.1° | 25.3° |
| H19 | C14 | C15 | H21 | 162.4° | 156.3° |
| H19 | C14 | C17 | H24 | 34.1° | 156.4° |
| H19 | C14 | C17 | H25 | 162.4° | 25.4° |
| H20 | C15 | C16 | H22 | 27.8° | 25.5° |
| H20 | C15 | C16 | H23 | 100.3° | 105.4° |
| H21 | C15 | C16 | H22 | 156.1° | 156.4° |
| H21 | C15 | C16 | H23 | 27.9° | 25.4° |
| H22 | C16 | C17 | H24 | 27.8° | 156.3° |
| H22 | C16 | C17 | H25 | 156.1° | 25.4° |
| H23 | C16 | C17 | H24 | 100.3° | 25.5° |
| H23 | C16 | C17 | H25 | 27.9° | 105.4° |
