A1B34
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.35Å | 1.33Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | C1 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.50Å | 1.51Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | C4 | sing | 1.33Å | 1.36Å | |
| C5 | N1 | sing | 1.46Å | 1.47Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | doub | 1.37Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.34Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.44Å | Aromatic |
| C13 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C14 | N1 | sing | 1.46Å | 1.47Å | |
| C1 | C14 | sing | 1.53Å | 1.53Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | O | 123.2° | 120.0° |
| N | C | C1 | 115.6° | 120.0° |
| C | N | H2 | 120.0° | 120.0° |
| C | N | H3 | 120.0° | 120.0° |
| O | C | C1 | 121.1° | 120.0° |
| C | C1 | C2 | 111.9° | 109.6° |
| C | C1 | C14 | 110.5° | 109.6° |
| C | C1 | H | 108.1° | 109.7° |
| C1 | C2 | C3 | 110.3° | 108.4° |
| C2 | C1 | C14 | 110.4° | 108.5° |
| C1 | C2 | H5 | 109.3° | 109.7° |
| C1 | C2 | H4 | 109.2° | 109.7° |
| C2 | C1 | H | 108.0° | 109.6° |
| C2 | C3 | C4 | 116.4° | 109.9° |
| C2 | C3 | H7 | 107.7° | 109.4° |
| C2 | C3 | H6 | 107.7° | 109.3° |
| C3 | C2 | H5 | 109.3° | 109.7° |
| C3 | C2 | H4 | 109.3° | 109.7° |
| C3 | C4 | O1 | 120.0° | 118.3° |
| C3 | C4 | N1 | 117.8° | 123.5° |
| C4 | C3 | H7 | 107.7° | 109.4° |
| C4 | C3 | H6 | 107.7° | 109.4° |
| O1 | C4 | N1 | 122.2° | 118.2° |
| C4 | N1 | C5 | 119.1° | 118.0° |
| C4 | N1 | C14 | 126.9° | 124.1° |
| N1 | C5 | C6 | 114.7° | 109.5° |
| C5 | N1 | C14 | 114.0° | 117.9° |
| N1 | C5 | H8 | 108.2° | 109.5° |
| N1 | C5 | H9 | 108.1° | 109.5° |
| C5 | C6 | C7 | 121.9° | 120.1° |
| C5 | C6 | C13 | 120.4° | 120.1° |
| C6 | C5 | H8 | 108.2° | 109.5° |
| C6 | C5 | H9 | 108.2° | 109.4° |
| C6 | C7 | C8 | 122.0° | 120.5° |
| C7 | C6 | C13 | 117.6° | 119.7° |
| C6 | C7 | H10 | 119.0° | 119.7° |
| C7 | C8 | C9 | 120.8° | 120.7° |
| C8 | C7 | H10 | 119.0° | 119.8° |
| C7 | C8 | H11 | 119.6° | 119.7° |
| C8 | C9 | C10 | 118.0° | 119.8° |
| C9 | C8 | H11 | 119.6° | 119.7° |
| C8 | C9 | H12 | 121.0° | 120.1° |
| C9 | C10 | N2 | 130.7° | 133.5° |
| C9 | C10 | C13 | 122.1° | 119.3° |
| C10 | C9 | H12 | 121.0° | 120.1° |
| C10 | N2 | C11 | 108.9° | 109.8° |
| N2 | C10 | C13 | 107.3° | 107.2° |
| C10 | N2 | H1 | 125.5° | 125.1° |
| N2 | C11 | C12 | 110.1° | 110.0° |
| N2 | C11 | H13 | 125.0° | 125.0° |
| C11 | N2 | H1 | 125.6° | 125.1° |
| C11 | C12 | C13 | 106.7° | 107.0° |
| C11 | C12 | H14 | 126.6° | 126.6° |
| C12 | C11 | H13 | 124.9° | 125.0° |
| C12 | C13 | C6 | 133.5° | 134.0° |
| C12 | C13 | C10 | 107.0° | 106.0° |
| C13 | C12 | H14 | 126.6° | 126.5° |
| C6 | C13 | C10 | 119.5° | 119.9° |
| N1 | C14 | C1 | 112.1° | 110.4° |
| N1 | C14 | H16 | 108.8° | 109.3° |
| N1 | C14 | H15 | 108.8° | 109.3° |
| C1 | C14 | H16 | 108.8° | 109.0° |
| C1 | C14 | H15 | 108.8° | 109.5° |
| C14 | C1 | H | 108.0° | 109.8° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| H7 | C3 | H6 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.6° |
| H16 | C14 | H15 | 109.4° | 109.3° |
| H2 | N | H3 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | O | C1 | 177.5° | 180.0° |
| N | C | C1 | C2 | 112.3° | 60.0° |
| N | C | C1 | C14 | 124.3° | 179.0° |
| N | C | C1 | H | 6.4° | 60.3° |
| C | N | H2 | H3 | 180.0° | 180.0° |
| O | C | C1 | C2 | 70.0° | 120.0° |
| O | C | C1 | C14 | 53.4° | 1.0° |
| O | C | C1 | H | 171.3° | 119.6° |
| O | C | N | H2 | 0.0° | 180.0° |
| O | C | N | H3 | 180.0° | 0.0° |
| C | C1 | C2 | C14 | 123.4° | 119.6° |
| C | C1 | C2 | H | 118.8° | 120.4° |
| C | C1 | C2 | C3 | 178.7° | 172.7° |
| C | C1 | C14 | N1 | 171.4° | 170.7° |
| C | C1 | C14 | H | 118.0° | 120.6° |
| C | C1 | C2 | H5 | 58.5° | 67.5° |
| C | C1 | C2 | H4 | 61.2° | 52.9° |
| C | C1 | C14 | H16 | 68.2° | 69.2° |
| C | C1 | C14 | H15 | 51.0° | 50.3° |
| C1 | C | N | H2 | 177.6° | 0.0° |
| C1 | C | N | H3 | 2.4° | 180.0° |
| C1 | C2 | C3 | H5 | 120.1° | 119.8° |
| C1 | C2 | C3 | H4 | 120.1° | 119.7° |
| C1 | C2 | C3 | C4 | 41.5° | 48.9° |
| C2 | C1 | C14 | N1 | 47.2° | 51.1° |
| C2 | C1 | C14 | H | 117.8° | 119.7° |
| C1 | C2 | C3 | H7 | 79.5° | 169.0° |
| C1 | C2 | C3 | H6 | 162.6° | 71.1° |
| C1 | C2 | H5 | H4 | 119.6° | 120.5° |
| C2 | C1 | C14 | H16 | 167.6° | 171.1° |
| C2 | C1 | C14 | H15 | 73.3° | 69.4° |
| C2 | C3 | C4 | H7 | 121.0° | 120.1° |
| C2 | C3 | C4 | H6 | 121.0° | 120.0° |
| C2 | C3 | C4 | O1 | 163.3° | 162.4° |
| C2 | C3 | C4 | N1 | 14.0° | 17.6° |
| C3 | C2 | C1 | C14 | 57.9° | 67.7° |
| C2 | C3 | H7 | H6 | 116.8° | 119.8° |
| C3 | C2 | H5 | H4 | 119.7° | 120.5° |
| C3 | C2 | C1 | H | 59.9° | 52.2° |
| C3 | C4 | O1 | N1 | 177.2° | 180.0° |
| C3 | C4 | N1 | C5 | 178.5° | 177.8° |
| C3 | C4 | N1 | C14 | 3.1° | 2.5° |
| C4 | C3 | H7 | H6 | 116.9° | 119.8° |
| C4 | C3 | C2 | H5 | 161.7° | 70.9° |
| C4 | C3 | C2 | H4 | 78.6° | 168.6° |
| O1 | C4 | N1 | C5 | 4.3° | 2.2° |
| O1 | C4 | N1 | C14 | 174.1° | 177.5° |
| O1 | C4 | C3 | H7 | 75.7° | 42.3° |
| O1 | C4 | C3 | H6 | 42.3° | 77.6° |
| C4 | N1 | C5 | C14 | 178.5° | 179.8° |
| C4 | N1 | C5 | C6 | 91.7° | 90.0° |
| C4 | N1 | C14 | C1 | 20.4° | 19.5° |
| C4 | N1 | C5 | H8 | 29.1° | 150.0° |
| C4 | N1 | C5 | H9 | 147.5° | 30.0° |
| N1 | C4 | C3 | H7 | 107.0° | 137.7° |
| N1 | C4 | C3 | H6 | 135.0° | 102.4° |
| C4 | N1 | C14 | H16 | 140.8° | 139.4° |
| C4 | N1 | C14 | H15 | 100.0° | 101.0° |
| N1 | C5 | C6 | H8 | 120.8° | 120.1° |
| N1 | C5 | C6 | H9 | 120.8° | 120.0° |
| N1 | C5 | C6 | C7 | 1.9° | 100.0° |
| N1 | C5 | C6 | C13 | 174.1° | 79.7° |
| C5 | N1 | C14 | C1 | 161.2° | 160.7° |
| N1 | C5 | H8 | H9 | 117.6° | 120.0° |
| C5 | N1 | C14 | H16 | 40.8° | 40.9° |
| C5 | N1 | C14 | H15 | 78.4° | 78.7° |
| C5 | C6 | C7 | C13 | 176.2° | 179.7° |
| C5 | C6 | C7 | C8 | 175.1° | 179.9° |
| C5 | C6 | C13 | C12 | 3.3° | 0.1° |
| C5 | C6 | C13 | C10 | 174.8° | 179.9° |
| C6 | C5 | N1 | C14 | 89.7° | 89.8° |
| C6 | C5 | H8 | H9 | 117.6° | 119.9° |
| C5 | C6 | C7 | H10 | 4.9° | 0.0° |
| C6 | C7 | C8 | H10 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.6° | 0.1° |
| C7 | C6 | C13 | C12 | 179.5° | 179.6° |
| C7 | C6 | C13 | C10 | 1.5° | 0.2° |
| C7 | C6 | C5 | H8 | 122.7° | 139.9° |
| C7 | C6 | C5 | H9 | 118.8° | 20.0° |
| C6 | C7 | C8 | H11 | 179.4° | 180.0° |
| C7 | C8 | C9 | H11 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.9° | 0.4° |
| C8 | C7 | C6 | C13 | 1.1° | 0.2° |
| C7 | C8 | C9 | H12 | 178.1° | 180.0° |
| C8 | C9 | C10 | H12 | 180.0° | 179.7° |
| C8 | C9 | C10 | N2 | 179.9° | 179.7° |
| C8 | C9 | C10 | C13 | 1.5° | 0.4° |
| C9 | C8 | C7 | H10 | 179.4° | 180.0° |
| C9 | C10 | N2 | C13 | 178.6° | 179.9° |
| C9 | C10 | N2 | C11 | 178.9° | 180.0° |
| C9 | C10 | C13 | C12 | 178.7° | 180.0° |
| C9 | C10 | C13 | C6 | 0.2° | 0.1° |
| C10 | C9 | C8 | H11 | 178.1° | 179.7° |
| C9 | C10 | N2 | H1 | 1.1° | 0.1° |
| C10 | N2 | C11 | H1 | 180.0° | 179.9° |
| C10 | N2 | C11 | C12 | 0.6° | 0.0° |
| N2 | C10 | C13 | C12 | 0.0° | 0.1° |
| N2 | C10 | C13 | C6 | 178.6° | 180.0° |
| C10 | N2 | C11 | H13 | 179.4° | 180.0° |
| N2 | C10 | C9 | H12 | 0.1° | 0.1° |
| N2 | C11 | C12 | H13 | 180.0° | 180.0° |
| N2 | C11 | C12 | C13 | 0.6° | 0.0° |
| C11 | N2 | C10 | C13 | 0.4° | 0.1° |
| N2 | C11 | C12 | H14 | 179.3° | 180.0° |
| C11 | C12 | C13 | H14 | 180.0° | 179.9° |
| C11 | C12 | C13 | C6 | 178.6° | 179.9° |
| C11 | C12 | C13 | C10 | 0.4° | 0.1° |
| C12 | C11 | N2 | H1 | 179.4° | 179.9° |
| C12 | C13 | C6 | C10 | 178.1° | 179.9° |
| C13 | C12 | C11 | H13 | 179.4° | 179.9° |
| C13 | C6 | C5 | H8 | 53.4° | 40.3° |
| C13 | C6 | C5 | H9 | 65.1° | 160.3° |
| C13 | C6 | C7 | H10 | 178.9° | 179.7° |
| C6 | C13 | C12 | H14 | 1.3° | 0.1° |
| C10 | C13 | C12 | H14 | 179.6° | 180.0° |
| C13 | C10 | N2 | H1 | 179.6° | 180.0° |
| C13 | C10 | C9 | H12 | 178.5° | 180.0° |
| N1 | C14 | C1 | H16 | 120.4° | 120.1° |
| N1 | C14 | C1 | H15 | 120.4° | 120.4° |
| C14 | N1 | C5 | H8 | 149.5° | 30.3° |
| C14 | N1 | C5 | H9 | 31.0° | 150.3° |
| N1 | C14 | H16 | H15 | 118.8° | 119.6° |
| N1 | C14 | C1 | H | 70.6° | 68.7° |
| C14 | C1 | C2 | H5 | 178.0° | 52.1° |
| C14 | C1 | C2 | H4 | 62.2° | 172.6° |
| C1 | C14 | H16 | H15 | 118.8° | 119.6° |
| H10 | C7 | C8 | H11 | 0.6° | 0.1° |
| H11 | C8 | C9 | H12 | 1.8° | 0.1° |
| H7 | C3 | C2 | H5 | 40.6° | 49.2° |
| H7 | C3 | C2 | H4 | 160.4° | 71.3° |
| H6 | C3 | C2 | H5 | 77.3° | 169.1° |
| H6 | C3 | C2 | H4 | 42.4° | 48.6° |
| H5 | C2 | C1 | H | 60.2° | 172.0° |
| H4 | C2 | C1 | H | 180.0° | 67.5° |
| H16 | C14 | C1 | H | 49.8° | 51.4° |
| H15 | C14 | C1 | H | 169.0° | 170.9° |
| H14 | C12 | C11 | H13 | 0.7° | 0.0° |
| H13 | C11 | N2 | H1 | 0.7° | 0.1° |
