A1AMT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| N | C3 | sing | 1.47Å | 1.46Å | |
| C4 | N | sing | 1.38Å | 1.36Å | |
| C4 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C7 | sing | 1.36Å | 1.36Å | Aromatic |
| C7 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
| N4 | C8 | sing | 1.35Å | 1.39Å | Aromatic |
| C8 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | C8 | doub | 1.41Å | 1.39Å | Aromatic |
| C3 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | S | sing | 1.77Å | 1.76Å | |
| O | S | doub | 1.42Å | 1.44Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| C15 | S | sing | 1.82Å | 1.76Å | |
| C16 | C15 | sing | 1.54Å | 1.52Å | |
| C17 | C16 | sing | 1.52Å | 1.54Å | |
| C12 | C17 | sing | 1.50Å | 1.51Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.4° | 109.4° |
| C | C1 | C3 | 112.3° | 109.5° |
| C | C1 | H5 | 107.6° | 109.4° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H4 | 109.4° | 109.4° |
| C2 | C1 | C3 | 111.6° | 109.5° |
| C2 | C1 | H5 | 107.4° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.4° |
| C1 | C3 | N | 109.4° | 109.5° |
| C1 | C3 | C9 | 112.8° | 109.4° |
| C1 | C3 | H | 107.1° | 109.5° |
| C3 | C1 | H5 | 107.3° | 109.5° |
| C3 | N | C4 | 125.1° | 120.0° |
| N | C3 | C9 | 111.7° | 109.5° |
| N | C3 | H | 108.2° | 109.5° |
| C3 | N | H9 | 105.4° | 120.0° |
| N | C4 | N1 | 119.2° | 120.8° |
| N | C4 | C8 | 122.3° | 120.8° |
| C4 | N | H9 | 105.5° | 120.0° |
| C4 | N1 | C5 | 118.3° | 121.2° |
| N1 | C4 | C8 | 118.4° | 118.5° |
| N1 | C5 | N2 | 128.8° | 122.5° |
| N1 | C5 | H10 | 115.6° | 118.8° |
| C5 | N2 | C6 | 111.4° | 120.6° |
| N2 | C5 | H10 | 115.6° | 118.7° |
| N2 | C6 | N3 | 127.9° | 134.9° |
| N2 | C6 | C8 | 126.3° | 119.1° |
| C6 | N3 | C7 | 106.2° | 107.5° |
| N3 | C6 | C8 | 105.8° | 106.0° |
| C6 | N3 | H1 | 126.9° | 126.3° |
| N3 | C7 | N4 | 113.7° | 110.0° |
| C7 | N3 | H1 | 126.9° | 126.3° |
| N3 | C7 | H11 | 123.1° | 125.0° |
| C7 | N4 | C8 | 103.6° | 109.4° |
| N4 | C7 | H11 | 123.1° | 125.0° |
| N4 | C8 | C4 | 132.6° | 134.7° |
| N4 | C8 | C6 | 110.6° | 107.2° |
| C4 | C8 | C6 | 116.9° | 118.1° |
| C3 | C9 | C10 | 121.1° | 120.3° |
| C3 | C9 | C14 | 121.0° | 120.3° |
| C9 | C3 | H | 107.4° | 109.5° |
| C9 | C10 | C11 | 121.0° | 119.9° |
| C10 | C9 | C14 | 117.8° | 119.4° |
| C9 | C10 | H12 | 119.5° | 120.1° |
| C10 | C11 | C12 | 122.3° | 121.0° |
| C11 | C10 | H12 | 119.5° | 120.1° |
| C10 | C11 | H13 | 118.9° | 119.5° |
| C11 | C12 | C13 | 116.5° | 118.7° |
| C11 | C12 | C17 | 120.1° | 116.5° |
| C12 | C11 | H13 | 118.9° | 119.5° |
| C12 | C13 | C14 | 121.6° | 120.3° |
| C12 | C13 | S | 122.5° | 121.9° |
| C13 | C12 | C17 | 123.4° | 124.7° |
| C13 | C14 | C9 | 120.9° | 120.6° |
| C14 | C13 | S | 115.8° | 117.9° |
| C13 | C14 | H14 | 119.6° | 119.7° |
| C9 | C14 | H14 | 119.5° | 119.7° |
| C13 | S | O | 106.6° | 104.4° |
| C13 | S | O1 | 109.3° | 104.4° |
| C13 | S | C15 | 103.9° | 103.6° |
| O | S | O1 | 117.8° | 121.2° |
| O | S | C15 | 109.8° | 110.6° |
| O1 | S | C15 | 108.5° | 110.7° |
| S | C15 | C16 | 109.9° | 107.0° |
| S | C15 | H16 | 109.4° | 109.9° |
| S | C15 | H15 | 109.4° | 110.0° |
| C15 | C16 | C17 | 110.2° | 109.1° |
| C16 | C15 | H16 | 109.4° | 109.9° |
| C16 | C15 | H15 | 109.4° | 110.0° |
| C15 | C16 | H17 | 109.3° | 109.6° |
| C15 | C16 | H18 | 109.3° | 109.5° |
| C16 | C17 | C12 | 112.5° | 113.9° |
| C16 | C17 | H19 | 108.7° | 108.6° |
| C16 | C17 | H20 | 108.7° | 108.6° |
| C17 | C16 | H17 | 109.3° | 109.5° |
| C17 | C16 | H18 | 109.3° | 109.6° |
| C12 | C17 | H19 | 108.7° | 108.6° |
| C12 | C17 | H20 | 108.7° | 108.6° |
| H16 | C15 | H15 | 109.5° | 109.9° |
| H19 | C17 | H20 | 109.5° | 108.4° |
| H17 | C16 | H18 | 109.5° | 109.6° |
| H6 | C2 | H8 | 109.4° | 109.5° |
| H6 | C2 | H7 | 109.5° | 109.4° |
| H8 | C2 | H7 | 109.5° | 109.5° |
| H2 | C | H3 | 109.4° | 109.5° |
| H2 | C | H4 | 109.5° | 109.5° |
| H3 | C | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 125.6° | 120.0° |
| C | C1 | C2 | H5 | 117.0° | 120.0° |
| C | C1 | C3 | H5 | 118.0° | 120.0° |
| C | C1 | C3 | N | 173.8° | 60.0° |
| C | C1 | C3 | C9 | 48.9° | 180.0° |
| C | C1 | C3 | H | 69.1° | 60.0° |
| C | C1 | C2 | H6 | 180.0° | 60.1° |
| C | C1 | C2 | H8 | 60.0° | 60.0° |
| C | C1 | C2 | H7 | 60.0° | 180.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H4 | 120.0° | 119.9° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | C3 | H5 | 117.5° | 120.1° |
| C2 | C1 | C3 | N | 61.6° | 179.9° |
| C2 | C1 | C3 | C9 | 173.5° | 60.1° |
| C2 | C1 | C3 | H | 55.4° | 60.0° |
| C1 | C2 | H6 | H8 | 120.0° | 120.1° |
| C1 | C2 | H6 | H7 | 120.0° | 119.9° |
| C1 | C2 | H8 | H7 | 120.0° | 120.0° |
| C2 | C1 | C | H2 | 180.0° | 180.0° |
| C2 | C1 | C | H3 | 60.0° | 60.0° |
| C2 | C1 | C | H4 | 60.0° | 60.0° |
| C1 | C3 | N | C9 | 125.6° | 120.0° |
| C1 | C3 | N | H | 116.4° | 120.0° |
| C1 | C3 | N | C4 | 140.0° | 85.0° |
| C1 | C3 | C9 | H | 117.8° | 120.0° |
| C1 | C3 | C9 | C10 | 113.2° | 80.0° |
| C1 | C3 | C9 | C14 | 69.6° | 100.1° |
| C3 | C1 | C2 | H6 | 54.4° | 59.9° |
| C3 | C1 | C2 | H8 | 174.4° | 180.0° |
| C3 | C1 | C2 | H7 | 65.6° | 60.0° |
| C3 | C1 | C | H2 | 54.8° | 60.0° |
| C3 | C1 | C | H3 | 65.2° | 180.0° |
| C3 | C1 | C | H4 | 174.8° | 60.0° |
| C1 | C3 | N | H9 | 97.8° | 95.0° |
| C3 | N | C4 | H9 | 122.1° | 180.0° |
| C3 | N | C4 | N1 | 15.3° | 0.0° |
| C3 | N | C4 | C8 | 168.1° | 180.0° |
| N | C3 | C9 | H | 118.5° | 120.0° |
| N | C3 | C9 | C10 | 123.1° | 40.0° |
| N | C3 | C9 | C14 | 54.0° | 140.0° |
| N | C3 | C1 | H5 | 55.8° | 60.0° |
| N | C4 | N1 | C8 | 176.8° | 180.0° |
| N | C4 | N1 | C5 | 176.0° | 180.0° |
| N | C4 | C8 | N4 | 5.0° | 0.1° |
| N | C4 | C8 | C6 | 174.5° | 179.9° |
| C4 | N | C3 | C9 | 94.4° | 155.0° |
| C4 | N | C3 | H | 23.7° | 35.0° |
| C4 | N1 | C5 | N2 | 1.6° | 0.0° |
| N1 | C4 | C8 | N4 | 178.4° | 180.0° |
| N1 | C4 | C8 | C6 | 2.1° | 0.0° |
| C4 | N1 | C5 | H10 | 178.4° | 180.0° |
| N1 | C4 | N | H9 | 137.4° | 180.0° |
| N1 | C5 | N2 | H10 | 180.0° | 180.0° |
| N1 | C5 | N2 | C6 | 2.2° | 0.1° |
| C5 | N1 | C4 | C8 | 0.8° | 0.0° |
| C5 | N2 | C6 | N3 | 176.8° | 180.0° |
| C5 | N2 | C6 | C8 | 0.6° | 0.1° |
| N2 | C6 | N3 | C8 | 177.8° | 179.9° |
| N2 | C6 | N3 | C7 | 178.3° | 179.9° |
| N2 | C6 | C8 | N4 | 178.9° | 179.9° |
| N2 | C6 | C8 | C4 | 1.4° | 0.1° |
| N2 | C6 | N3 | H1 | 1.7° | 0.1° |
| C6 | N2 | C5 | H10 | 177.8° | 179.9° |
| C6 | N3 | C7 | H1 | 180.0° | 180.0° |
| C6 | N3 | C7 | N4 | 0.2° | 0.0° |
| N3 | C6 | C8 | N4 | 1.1° | 0.0° |
| N3 | C6 | C8 | C4 | 179.3° | 180.0° |
| C6 | N3 | C7 | H11 | 179.8° | 179.9° |
| N3 | C7 | N4 | H11 | 180.0° | 180.0° |
| N3 | C7 | N4 | C8 | 0.8° | 0.0° |
| C7 | N3 | C6 | C8 | 0.5° | 0.0° |
| C7 | N4 | C8 | C4 | 179.3° | 180.0° |
| C7 | N4 | C8 | C6 | 1.2° | 0.0° |
| N4 | C7 | N3 | H1 | 179.8° | 180.0° |
| N4 | C8 | C4 | C6 | 179.5° | 180.0° |
| C8 | N4 | C7 | H11 | 179.2° | 180.0° |
| C8 | C4 | N | H9 | 46.0° | 0.0° |
| C8 | C6 | N3 | H1 | 179.5° | 180.0° |
| C3 | C9 | C10 | C14 | 177.3° | 179.9° |
| C3 | C9 | C10 | C11 | 176.3° | 179.8° |
| C3 | C9 | C14 | C13 | 176.5° | 179.4° |
| C3 | C9 | C10 | H12 | 3.7° | 0.5° |
| C3 | C9 | C14 | H14 | 3.5° | 0.2° |
| C9 | C3 | C1 | H5 | 69.1° | 60.0° |
| C9 | C3 | N | H9 | 27.8° | 25.0° |
| C9 | C10 | C11 | H12 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 1.9° | 0.3° |
| C10 | C9 | C14 | C13 | 0.8° | 0.7° |
| C9 | C10 | C11 | H13 | 178.1° | 179.7° |
| C10 | C9 | C14 | H14 | 179.2° | 179.9° |
| C10 | C9 | C3 | H | 4.7° | 160.0° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.5° | 0.5° |
| C11 | C10 | C9 | C14 | 0.9° | 0.3° |
| C10 | C11 | C12 | C17 | 175.9° | 178.6° |
| C11 | C12 | C13 | C17 | 178.3° | 179.1° |
| C11 | C12 | C13 | C14 | 2.3° | 0.2° |
| C11 | C12 | C13 | S | 174.7° | 179.7° |
| C11 | C12 | C17 | C16 | 153.6° | 157.2° |
| C12 | C11 | C10 | H12 | 178.1° | 180.0° |
| C11 | C12 | C17 | H19 | 86.0° | 36.1° |
| C11 | C12 | C17 | H20 | 33.1° | 81.7° |
| C12 | C13 | C14 | S | 177.2° | 179.9° |
| C12 | C13 | C14 | C9 | 1.5° | 0.4° |
| C12 | C13 | S | O | 102.2° | 127.9° |
| C12 | C13 | S | O1 | 129.5° | 103.9° |
| C12 | C13 | S | C15 | 13.8° | 12.0° |
| C13 | C12 | C17 | C16 | 28.2° | 23.7° |
| C13 | C12 | C17 | H19 | 92.3° | 144.8° |
| C13 | C12 | C17 | H20 | 148.6° | 97.4° |
| C13 | C12 | C11 | H13 | 177.5° | 179.5° |
| C12 | C13 | C14 | H14 | 178.5° | 179.7° |
| C13 | C14 | C9 | H14 | 180.0° | 179.2° |
| C14 | C13 | S | O | 75.0° | 52.2° |
| C14 | C13 | S | O1 | 53.4° | 76.0° |
| C14 | C13 | S | C15 | 169.0° | 168.1° |
| C14 | C13 | C12 | C17 | 176.0° | 178.9° |
| C9 | C14 | C13 | S | 175.7° | 179.7° |
| C14 | C9 | C10 | H12 | 179.1° | 179.4° |
| C14 | C9 | C3 | H | 172.5° | 20.0° |
| C13 | S | O | O1 | 123.3° | 117.1° |
| C13 | S | O | C15 | 112.0° | 110.9° |
| C13 | S | O1 | C15 | 112.7° | 110.9° |
| C13 | S | C15 | C16 | 43.5° | 45.0° |
| S | C13 | C12 | C17 | 7.0° | 1.2° |
| C13 | S | C15 | H16 | 76.6° | 164.3° |
| C13 | S | C15 | H15 | 163.6° | 74.5° |
| S | C13 | C14 | H14 | 4.3° | 0.4° |
| O | S | O1 | C15 | 125.5° | 132.0° |
| O | S | C15 | C16 | 70.3° | 156.3° |
| O | S | C15 | H16 | 169.7° | 84.3° |
| O | S | C15 | H15 | 49.8° | 36.8° |
| O1 | S | C15 | C16 | 159.7° | 66.5° |
| O1 | S | C15 | H16 | 39.7° | 52.9° |
| O1 | S | C15 | H15 | 80.2° | 174.1° |
| S | C15 | C16 | H16 | 120.0° | 119.4° |
| S | C15 | C16 | H15 | 120.1° | 119.4° |
| S | C15 | C16 | C17 | 69.9° | 71.6° |
| S | C15 | H16 | H15 | 119.8° | 121.2° |
| S | C15 | C16 | H17 | 170.0° | 48.3° |
| S | C15 | C16 | H18 | 50.2° | 168.5° |
| C15 | C16 | C17 | H17 | 120.1° | 119.9° |
| C15 | C16 | C17 | H18 | 120.1° | 119.9° |
| C15 | C16 | C17 | C12 | 60.8° | 61.2° |
| C16 | C15 | H16 | H15 | 119.9° | 121.3° |
| C15 | C16 | C17 | H19 | 59.7° | 177.6° |
| C15 | C16 | C17 | H20 | 178.8° | 59.9° |
| C15 | C16 | H17 | H18 | 119.7° | 120.1° |
| C16 | C17 | C12 | H19 | 120.4° | 121.1° |
| C16 | C17 | C12 | H20 | 120.5° | 121.1° |
| C17 | C16 | C15 | H16 | 50.2° | 169.1° |
| C17 | C16 | C15 | H15 | 170.1° | 47.9° |
| C16 | C17 | H19 | H20 | 118.6° | 117.8° |
| C17 | C16 | H17 | H18 | 119.6° | 120.2° |
| C12 | C17 | H19 | H20 | 118.6° | 117.9° |
| C12 | C17 | C16 | H17 | 179.1° | 58.7° |
| C12 | C17 | C16 | H18 | 59.3° | 178.9° |
| C17 | C12 | C11 | H13 | 4.1° | 1.4° |
| H1 | N3 | C7 | H11 | 0.2° | 0.1° |
| H12 | C10 | C11 | H13 | 1.9° | 0.0° |
| H16 | C15 | C16 | H17 | 70.0° | 71.0° |
| H16 | C15 | C16 | H18 | 170.3° | 49.2° |
| H15 | C15 | C16 | H17 | 49.9° | 167.8° |
| H15 | C15 | C16 | H18 | 69.8° | 72.0° |
| H19 | C17 | C16 | H17 | 60.5° | 62.5° |
| H19 | C17 | C16 | H18 | 179.8° | 57.7° |
| H20 | C17 | C16 | H17 | 58.6° | 179.8° |
| H20 | C17 | C16 | H18 | 61.1° | 60.0° |
| H | C3 | C1 | H5 | 172.9° | 179.9° |
| H | C3 | N | H9 | 145.8° | 145.0° |
| H5 | C1 | C2 | H6 | 63.0° | 180.0° |
| H5 | C1 | C2 | H8 | 57.0° | 59.9° |
| H5 | C1 | C2 | H7 | 177.0° | 60.1° |
| H5 | C1 | C | H2 | 63.1° | 60.0° |
| H5 | C1 | C | H3 | 176.9° | 60.0° |
| H5 | C1 | C | H4 | 56.9° | 180.0° |
| H6 | C2 | H8 | H7 | 120.0° | 119.9° |
| H2 | C | H3 | H4 | 120.0° | 120.1° |
