A1AMV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.49Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| N | C2 | sing | 1.35Å | 1.34Å | |
| C2 | O | doub | 1.22Å | 1.23Å | |
| C3 | C2 | sing | 1.47Å | 1.49Å | |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| N1 | C6 | sing | 1.38Å | 1.36Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | C11 | sing | 1.32Å | 1.36Å | Aromatic |
| N3 | C11 | sing | 1.39Å | 1.34Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C7 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C6 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | N5 | sing | 1.32Å | 1.33Å | Aromatic |
| N5 | C17 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | C17 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| N6 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| N6 | H1 | sing | 0.97Å | 1.00Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 111.0° | 109.4° |
| C | C1 | H6 | 109.1° | 109.4° |
| C | C1 | H5 | 109.1° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.4° | 109.5° |
| C1 | N | C2 | 123.3° | 119.9° |
| C1 | N | H7 | 118.3° | 120.1° |
| N | C1 | H6 | 109.1° | 109.5° |
| N | C1 | H5 | 109.1° | 109.5° |
| N | C2 | O | 123.1° | 120.0° |
| N | C2 | C3 | 117.1° | 120.0° |
| C2 | N | H7 | 118.3° | 120.0° |
| O | C2 | C3 | 119.8° | 120.0° |
| C2 | C3 | C4 | 128.2° | 125.5° |
| C2 | C3 | N6 | 122.4° | 125.5° |
| C3 | C4 | C5 | 107.0° | 107.5° |
| C4 | C3 | N6 | 109.3° | 109.0° |
| C3 | C4 | H8 | 126.5° | 126.2° |
| C4 | C5 | C6 | 137.0° | 134.5° |
| C4 | C5 | C17 | 106.9° | 107.2° |
| C5 | C4 | H8 | 126.5° | 126.2° |
| C5 | C6 | N1 | 121.4° | 120.8° |
| C5 | C6 | N4 | 119.2° | 118.4° |
| C6 | C5 | C17 | 116.1° | 118.4° |
| C6 | N1 | C7 | 127.1° | 120.0° |
| N1 | C6 | N4 | 119.4° | 120.8° |
| C6 | N1 | H9 | 104.9° | 120.0° |
| N1 | C7 | C8 | 112.8° | 109.5° |
| N1 | C7 | C13 | 110.8° | 109.5° |
| C7 | N1 | H9 | 104.9° | 120.0° |
| N1 | C7 | H | 107.4° | 109.4° |
| C7 | C8 | C9 | 120.1° | 120.7° |
| C7 | C8 | C12 | 121.1° | 120.8° |
| C8 | C7 | C13 | 112.1° | 109.5° |
| C8 | C7 | H | 106.9° | 109.4° |
| C8 | C9 | C10 | 118.8° | 119.3° |
| C9 | C8 | C12 | 118.5° | 118.5° |
| C8 | C9 | H10 | 120.6° | 120.3° |
| C9 | C10 | N2 | 123.8° | 120.8° |
| C9 | C10 | H11 | 118.1° | 119.6° |
| C10 | C9 | H10 | 120.6° | 120.3° |
| C10 | N2 | C11 | 117.8° | 121.6° |
| N2 | C10 | H11 | 118.1° | 119.5° |
| N2 | C11 | N3 | 115.4° | 119.7° |
| N2 | C11 | C12 | 122.1° | 120.6° |
| N3 | C11 | C12 | 122.4° | 119.7° |
| C11 | N3 | H12 | 109.5° | 120.0° |
| C11 | N3 | H13 | 109.5° | 120.0° |
| C11 | C12 | C8 | 119.0° | 119.1° |
| C11 | C12 | H14 | 120.5° | 120.5° |
| C8 | C12 | H14 | 120.5° | 120.4° |
| C7 | C13 | C14 | 111.2° | 109.5° |
| C7 | C13 | C15 | 111.1° | 109.5° |
| C13 | C7 | H | 106.4° | 109.5° |
| C7 | C13 | H15 | 108.0° | 109.5° |
| C14 | C13 | C15 | 110.1° | 109.5° |
| C14 | C13 | H15 | 108.2° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.4° |
| C13 | C14 | H18 | 109.4° | 109.5° |
| C13 | C14 | H16 | 109.4° | 109.5° |
| C15 | C13 | H15 | 108.2° | 109.5° |
| C13 | C15 | H20 | 109.5° | 109.4° |
| C13 | C15 | H19 | 109.5° | 109.5° |
| C13 | C15 | H21 | 109.5° | 109.5° |
| C6 | N4 | C16 | 117.9° | 121.1° |
| N4 | C16 | N5 | 129.0° | 122.7° |
| N4 | C16 | H22 | 115.5° | 118.7° |
| C16 | N5 | C17 | 112.3° | 120.8° |
| N5 | C16 | H22 | 115.5° | 118.6° |
| N5 | C17 | C5 | 125.5° | 118.7° |
| N5 | C17 | N6 | 126.0° | 133.9° |
| C5 | C17 | N6 | 108.5° | 107.4° |
| C17 | N6 | C3 | 108.2° | 108.9° |
| C17 | N6 | H1 | 125.9° | 125.6° |
| C3 | N6 | H1 | 125.9° | 125.6° |
| H12 | N3 | H13 | 109.4° | 120.0° |
| H20 | C15 | H19 | 109.4° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H19 | C15 | H21 | 109.5° | 109.5° |
| H6 | C1 | H5 | 109.4° | 109.5° |
| H4 | C | H2 | 109.5° | 109.4° |
| H4 | C | H3 | 109.5° | 109.4° |
| H2 | C | H3 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H17 | C14 | H16 | 109.5° | 109.5° |
| H18 | C14 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H6 | 120.2° | 119.9° |
| C | C1 | N | H5 | 120.3° | 120.0° |
| C | C1 | N | C2 | 82.2° | 180.0° |
| C | C1 | N | H7 | 97.8° | 0.0° |
| C | C1 | H6 | H5 | 119.3° | 120.0° |
| C1 | C | H4 | H2 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | N | C2 | H7 | 180.0° | 180.0° |
| C1 | N | C2 | O | 3.0° | 0.0° |
| C1 | N | C2 | C3 | 178.5° | 180.0° |
| N | C1 | H6 | H5 | 119.3° | 120.1° |
| N | C1 | C | H4 | 180.0° | 60.0° |
| N | C1 | C | H2 | 60.0° | 60.0° |
| N | C1 | C | H3 | 60.0° | 180.0° |
| N | C2 | O | C3 | 178.4° | 180.0° |
| N | C2 | C3 | C4 | 178.8° | 179.9° |
| N | C2 | C3 | N6 | 3.8° | 0.5° |
| C2 | N | C1 | H6 | 38.0° | 60.1° |
| C2 | N | C1 | H5 | 157.5° | 60.0° |
| O | C2 | C3 | C4 | 0.2° | 0.0° |
| O | C2 | C3 | N6 | 177.7° | 179.6° |
| O | C2 | N | H7 | 177.0° | 180.0° |
| C2 | C3 | C4 | N6 | 177.7° | 179.6° |
| C2 | C3 | C4 | C5 | 176.6° | 180.0° |
| C2 | C3 | N6 | C17 | 178.1° | 180.0° |
| C2 | C3 | C4 | H8 | 3.4° | 0.2° |
| C3 | C2 | N | H7 | 1.5° | 0.0° |
| C2 | C3 | N6 | H1 | 1.9° | 0.2° |
| C3 | C4 | C5 | H8 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 179.3° | 179.8° |
| C3 | C4 | C5 | C17 | 2.0° | 0.2° |
| C4 | C3 | N6 | C17 | 0.2° | 0.3° |
| C4 | C3 | N6 | H1 | 179.8° | 179.9° |
| C4 | C5 | C6 | C17 | 178.6° | 179.9° |
| C4 | C5 | C6 | N1 | 4.1° | 0.1° |
| C4 | C5 | C6 | N4 | 177.7° | 179.9° |
| C4 | C5 | C17 | N5 | 179.2° | 180.0° |
| C4 | C5 | C17 | N6 | 2.1° | 0.0° |
| C5 | C4 | C3 | N6 | 1.1° | 0.3° |
| C5 | C6 | N1 | N4 | 178.2° | 180.0° |
| C5 | C6 | N1 | C7 | 176.1° | 179.7° |
| C5 | C6 | N4 | C16 | 0.2° | 0.1° |
| C6 | C5 | C17 | N5 | 0.2° | 0.0° |
| C6 | C5 | C17 | N6 | 178.9° | 180.0° |
| C5 | C6 | N1 | H9 | 61.5° | 0.0° |
| C6 | C5 | C4 | H8 | 0.7° | 0.1° |
| C6 | N1 | C7 | H9 | 122.4° | 179.7° |
| C6 | N1 | C7 | C8 | 110.9° | 155.0° |
| C6 | N1 | C7 | C13 | 122.5° | 85.0° |
| N1 | C6 | N4 | C16 | 178.0° | 179.9° |
| N1 | C6 | C5 | C17 | 177.3° | 180.0° |
| C6 | N1 | C7 | H | 6.6° | 35.1° |
| N1 | C7 | C8 | C13 | 125.9° | 120.0° |
| N1 | C7 | C8 | H | 117.9° | 119.9° |
| N1 | C7 | C8 | C9 | 48.6° | 40.0° |
| N1 | C7 | C8 | C12 | 124.7° | 140.3° |
| N1 | C7 | C13 | H | 116.5° | 120.0° |
| N1 | C7 | C13 | C14 | 56.1° | 60.0° |
| N1 | C7 | C13 | C15 | 179.0° | 60.0° |
| C7 | N1 | C6 | N4 | 5.7° | 0.3° |
| N1 | C7 | C13 | H15 | 62.5° | 180.0° |
| C7 | C8 | C9 | C12 | 173.4° | 179.7° |
| C7 | C8 | C9 | C10 | 173.1° | 179.8° |
| C7 | C8 | C12 | C11 | 175.0° | 180.0° |
| C8 | C7 | C13 | H | 116.5° | 120.0° |
| C8 | C7 | C13 | C14 | 177.0° | 60.0° |
| C8 | C7 | C13 | C15 | 54.0° | 180.0° |
| C8 | C7 | N1 | H9 | 126.8° | 25.3° |
| C8 | C7 | C13 | H15 | 64.5° | 60.0° |
| C7 | C8 | C12 | H14 | 5.0° | 0.1° |
| C7 | C8 | C9 | H10 | 6.9° | 0.0° |
| C8 | C9 | C10 | H10 | 180.0° | 179.8° |
| C8 | C9 | C10 | N2 | 2.9° | 0.5° |
| C9 | C8 | C12 | C11 | 1.6° | 0.3° |
| C9 | C8 | C7 | C13 | 77.4° | 80.0° |
| C9 | C8 | C7 | H | 166.4° | 159.9° |
| C8 | C9 | C10 | H11 | 177.1° | 179.7° |
| C9 | C8 | C12 | H14 | 178.3° | 179.8° |
| C9 | C10 | N2 | H11 | 180.0° | 179.8° |
| C9 | C10 | N2 | C11 | 3.2° | 0.2° |
| C10 | C9 | C8 | C12 | 0.4° | 0.5° |
| C10 | N2 | C11 | N3 | 177.1° | 179.9° |
| C10 | N2 | C11 | C12 | 1.0° | 0.0° |
| N2 | C10 | C9 | H10 | 177.1° | 179.7° |
| N2 | C11 | N3 | C12 | 176.1° | 180.0° |
| N2 | C11 | C12 | C8 | 1.4° | 0.0° |
| N2 | C11 | N3 | H12 | 0.0° | 179.9° |
| N2 | C11 | N3 | H13 | 120.0° | 0.1° |
| C11 | N2 | C10 | H11 | 176.8° | 180.0° |
| N2 | C11 | C12 | H14 | 178.6° | 179.9° |
| N3 | C11 | C12 | C8 | 174.5° | 180.0° |
| C11 | N3 | H12 | H13 | 120.0° | 179.9° |
| N3 | C11 | C12 | H14 | 5.5° | 0.1° |
| C11 | C12 | C8 | H14 | 180.0° | 179.9° |
| C12 | C11 | N3 | H12 | 176.1° | 0.1° |
| C12 | C11 | N3 | H13 | 63.9° | 180.0° |
| C12 | C8 | C7 | C13 | 109.4° | 99.7° |
| C12 | C8 | C7 | H | 6.8° | 20.3° |
| C12 | C8 | C9 | H10 | 179.7° | 179.7° |
| C7 | C13 | C14 | C15 | 123.5° | 120.0° |
| C7 | C13 | C14 | H15 | 118.4° | 120.0° |
| C7 | C13 | C15 | H15 | 118.3° | 120.0° |
| C13 | C7 | N1 | H9 | 0.1° | 94.7° |
| C7 | C13 | C15 | H20 | 180.0° | 60.0° |
| C7 | C13 | C15 | H19 | 60.0° | 180.0° |
| C7 | C13 | C15 | H21 | 60.0° | 60.0° |
| C7 | C13 | C14 | H17 | 180.0° | 60.0° |
| C7 | C13 | C14 | H18 | 60.0° | 180.0° |
| C7 | C13 | C14 | H16 | 60.0° | 60.0° |
| C14 | C13 | C15 | H15 | 118.0° | 120.0° |
| C14 | C13 | C7 | H | 60.4° | 180.0° |
| C14 | C13 | C15 | H20 | 56.4° | 60.0° |
| C14 | C13 | C15 | H19 | 176.4° | 60.0° |
| C14 | C13 | C15 | H21 | 63.7° | 180.0° |
| C13 | C14 | H17 | H18 | 120.0° | 120.0° |
| C13 | C14 | H17 | H16 | 120.0° | 120.0° |
| C13 | C14 | H18 | H16 | 120.0° | 120.0° |
| C15 | C13 | C7 | H | 62.5° | 60.0° |
| C13 | C15 | H20 | H19 | 120.0° | 120.0° |
| C13 | C15 | H20 | H21 | 120.0° | 120.0° |
| C13 | C15 | H19 | H21 | 120.0° | 120.0° |
| C15 | C13 | C14 | H17 | 56.4° | 180.0° |
| C15 | C13 | C14 | H18 | 63.5° | 60.0° |
| C15 | C13 | C14 | H16 | 176.5° | 60.0° |
| C6 | N4 | C16 | N5 | 1.7° | 0.1° |
| N4 | C6 | C5 | C17 | 0.9° | 0.0° |
| N4 | C6 | N1 | H9 | 116.6° | 180.0° |
| C6 | N4 | C16 | H22 | 178.3° | 179.9° |
| N4 | C16 | N5 | H22 | 180.0° | 180.0° |
| N4 | C16 | N5 | C17 | 2.6° | 0.0° |
| C16 | N5 | C17 | C5 | 1.7° | 0.0° |
| C16 | N5 | C17 | N6 | 179.8° | 180.0° |
| N5 | C17 | C5 | N6 | 178.7° | 180.0° |
| N5 | C17 | N6 | C3 | 179.9° | 179.8° |
| N5 | C17 | N6 | H1 | 0.2° | 0.0° |
| C17 | N5 | C16 | H22 | 177.4° | 179.9° |
| C5 | C17 | N6 | C3 | 1.5° | 0.2° |
| C17 | C5 | C4 | H8 | 178.0° | 180.0° |
| C5 | C17 | N6 | H1 | 178.5° | 180.0° |
| C17 | N6 | C3 | H1 | 180.0° | 179.8° |
| N6 | C3 | C4 | H8 | 178.9° | 179.9° |
| H9 | N1 | C7 | H | 115.7° | 145.2° |
| H | C7 | C13 | H15 | 179.0° | 60.0° |
| H11 | C10 | C9 | H10 | 2.9° | 0.0° |
| H15 | C13 | C15 | H20 | 61.7° | 180.0° |
| H15 | C13 | C15 | H19 | 58.3° | 60.0° |
| H15 | C13 | C15 | H21 | 178.3° | 60.0° |
| H15 | C13 | C14 | H17 | 61.6° | 60.0° |
| H15 | C13 | C14 | H18 | 178.4° | 60.0° |
| H15 | C13 | C14 | H16 | 58.4° | 180.0° |
| H20 | C15 | H19 | H21 | 120.0° | 120.0° |
| H7 | N | C1 | H6 | 141.9° | 120.0° |
| H7 | N | C1 | H5 | 22.5° | 120.0° |
| H6 | C1 | C | H4 | 59.8° | 180.0° |
| H6 | C1 | C | H2 | 60.2° | 60.0° |
| H6 | C1 | C | H3 | 179.8° | 60.0° |
| H5 | C1 | C | H4 | 59.7° | 60.0° |
| H5 | C1 | C | H2 | 179.8° | 180.0° |
| H5 | C1 | C | H3 | 60.3° | 60.0° |
| H4 | C | H2 | H3 | 120.0° | 119.9° |
| H17 | C14 | H18 | H16 | 120.0° | 120.0° |
