34Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C10 | sing | 1.35Å | 1.35Å | |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| N3 | C3 | sing | 1.47Å | 1.47Å | |
| C4 | C2 | sing | 1.51Å | 1.53Å | |
| C4 | O1 | doub | 1.21Å | 1.24Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C5 | C6 | sing | 1.55Å | 1.55Å | |
| C5 | N2 | sing | 1.47Å | 1.45Å | |
| C6 | C8 | sing | 1.55Å | 1.54Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | N2 | sing | 1.47Å | 1.45Å | |
| C10 | C17 | sing | 1.48Å | 1.62Å | |
| C10 | O2 | doub | 1.22Å | 1.26Å | |
| C13 | N5 | doub | 1.34Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.48Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.48Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.52Å | Aromatic |
| C17 | N4 | sing | 1.32Å | 1.31Å | Aromatic |
| C18 | N5 | sing | 1.31Å | 1.30Å | Aromatic |
| C14 | N4 | doub | 1.33Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.47Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C3 | C9 | sing | 1.54Å | 1.53Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| N3 | HN3A | sing | 1.01Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N1 | C1 | 122.4° | 125.7° |
| C10 | N1 | C9 | 128.0° | 125.6° |
| N1 | C10 | C17 | 121.1° | 120.0° |
| N1 | C10 | O2 | 118.8° | 119.9° |
| C1 | N1 | C9 | 109.6° | 108.7° |
| N1 | C1 | C2 | 100.6° | 104.8° |
| N1 | C1 | H1 | 112.6° | 110.3° |
| N1 | C1 | H1A | 114.4° | 110.4° |
| N1 | C9 | C3 | 105.5° | 107.3° |
| N1 | C9 | H9 | 110.8° | 109.9° |
| N1 | C9 | H9A | 111.7° | 109.9° |
| N3 | C3 | C2 | 112.1° | 110.7° |
| N3 | C3 | C9 | 113.6° | 110.5° |
| C3 | N3 | HN3 | 109.5° | 110.9° |
| C3 | N3 | HN3A | 109.5° | 111.1° |
| N3 | C3 | H3 | 102.1° | 110.6° |
| C2 | C4 | O1 | 117.5° | 119.9° |
| C2 | C4 | N2 | 120.0° | 120.0° |
| C4 | C2 | C1 | 115.0° | 111.0° |
| C4 | C2 | C3 | 116.0° | 111.0° |
| C4 | C2 | H2 | 98.4° | 110.9° |
| O1 | C4 | N2 | 122.5° | 120.1° |
| C4 | N2 | C5 | 122.1° | 125.6° |
| C4 | N2 | C7 | 126.9° | 125.7° |
| C6 | C5 | N2 | 108.4° | 104.9° |
| C5 | C6 | C8 | 104.5° | 101.6° |
| C6 | C5 | H5 | 109.8° | 110.3° |
| C6 | C5 | H5A | 110.0° | 110.4° |
| C5 | C6 | H6 | 111.2° | 111.0° |
| C5 | C6 | H6A | 112.2° | 111.0° |
| C5 | N2 | C7 | 111.0° | 108.7° |
| N2 | C5 | H5 | 109.8° | 110.3° |
| N2 | C5 | H5A | 110.1° | 110.4° |
| C6 | C8 | C7 | 106.6° | 102.9° |
| C8 | C6 | H6 | 111.2° | 111.0° |
| C8 | C6 | H6A | 112.2° | 111.0° |
| C6 | C8 | H8 | 110.4° | 110.7° |
| C6 | C8 | H8A | 111.1° | 110.7° |
| C8 | C7 | N2 | 107.5° | 107.3° |
| C8 | C7 | H7 | 110.1° | 109.9° |
| C8 | C7 | H7A | 110.6° | 109.9° |
| C7 | C8 | H8 | 110.5° | 110.7° |
| C7 | C8 | H8A | 111.1° | 110.7° |
| N2 | C7 | H7 | 110.1° | 109.9° |
| N2 | C7 | H7A | 110.6° | 109.8° |
| C17 | C10 | O2 | 120.1° | 120.0° |
| C10 | C17 | C18 | 124.7° | 119.8° |
| C10 | C17 | N4 | 115.3° | 119.7° |
| N5 | C13 | C14 | 121.7° | 119.7° |
| N5 | C13 | C12 | 120.4° | 121.0° |
| C13 | N5 | C18 | 118.7° | 119.9° |
| C14 | C13 | C12 | 117.9° | 119.3° |
| C13 | C14 | C15 | 122.3° | 119.3° |
| C13 | C14 | N4 | 120.4° | 119.7° |
| C13 | C12 | C11 | 121.0° | 119.7° |
| C13 | C12 | H12 | 119.5° | 120.2° |
| C14 | C15 | C16 | 120.4° | 119.7° |
| C15 | C14 | N4 | 117.3° | 121.0° |
| C14 | C15 | H15 | 119.8° | 120.1° |
| C15 | C16 | C11 | 118.1° | 121.0° |
| C16 | C15 | H15 | 119.8° | 120.1° |
| C15 | C16 | H16 | 120.9° | 119.5° |
| C18 | C17 | N4 | 119.9° | 120.5° |
| C17 | C18 | N5 | 119.4° | 120.5° |
| C17 | C18 | H18 | 120.3° | 119.7° |
| C17 | N4 | C14 | 119.8° | 119.6° |
| N5 | C18 | H18 | 120.3° | 119.7° |
| C16 | C11 | C12 | 120.2° | 121.0° |
| C11 | C16 | H16 | 120.9° | 119.5° |
| C16 | C11 | H11 | 119.9° | 119.5° |
| C11 | C12 | H12 | 119.5° | 120.1° |
| C12 | C11 | H11 | 119.9° | 119.4° |
| C1 | C2 | C3 | 100.7° | 101.6° |
| C2 | C1 | H1 | 112.5° | 110.4° |
| C2 | C1 | H1A | 114.4° | 110.4° |
| C1 | C2 | H2 | 114.3° | 111.0° |
| C2 | C3 | C9 | 98.7° | 103.0° |
| C3 | C2 | H2 | 113.2° | 111.0° |
| C2 | C3 | H3 | 116.2° | 110.7° |
| C9 | C3 | H3 | 114.7° | 111.0° |
| C3 | C9 | H9 | 110.8° | 110.0° |
| C3 | C9 | H9A | 111.7° | 109.7° |
| HN3 | N3 | HN3A | 109.5° | 111.0° |
| H5 | C5 | H5A | 108.7° | 110.4° |
| H6 | C6 | H6A | 105.7° | 110.9° |
| H7 | C7 | H7A | 107.9° | 110.0° |
| H8 | C8 | H8A | 107.2° | 110.8° |
| H1 | C1 | H1A | 102.8° | 110.4° |
| H9 | C9 | H9A | 106.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N1 | C1 | C9 | 179.2° | 179.7° |
| N1 | C10 | C17 | O2 | 176.6° | 180.0° |
| N1 | C10 | C17 | C18 | 123.0° | 180.0° |
| N1 | C10 | C17 | N4 | 57.4° | 0.0° |
| C10 | N1 | C1 | C2 | 153.0° | 155.9° |
| C10 | N1 | C9 | C3 | 177.3° | 178.8° |
| C10 | N1 | C1 | H1 | 33.0° | 37.1° |
| C10 | N1 | C1 | H1A | 83.9° | 85.3° |
| C10 | N1 | C9 | H9 | 57.3° | 61.6° |
| C10 | N1 | C9 | H9A | 61.2° | 59.6° |
| N1 | C1 | C2 | C4 | 172.2° | 155.1° |
| C1 | N1 | C10 | C17 | 169.9° | 180.0° |
| C1 | N1 | C10 | O2 | 6.7° | 0.0° |
| N1 | C1 | C2 | H1 | 120.0° | 118.8° |
| N1 | C1 | C2 | H1A | 123.1° | 118.8° |
| N1 | C1 | C2 | C3 | 46.6° | 37.0° |
| C1 | N1 | C9 | C3 | 1.9° | 1.4° |
| N1 | C1 | H1 | H1A | 123.6° | 122.3° |
| N1 | C1 | C2 | H2 | 75.1° | 81.1° |
| C1 | N1 | C9 | H9 | 121.9° | 118.1° |
| C1 | N1 | C9 | H9A | 119.6° | 120.7° |
| N1 | C9 | C3 | N3 | 88.3° | 96.4° |
| C9 | N1 | C10 | C17 | 9.2° | 0.3° |
| C9 | N1 | C10 | O2 | 174.2° | 179.7° |
| C9 | N1 | C1 | C2 | 27.8° | 24.4° |
| N1 | C9 | C3 | C2 | 30.5° | 21.8° |
| N1 | C9 | C3 | H9 | 120.0° | 119.5° |
| N1 | C9 | C3 | H9A | 121.5° | 119.4° |
| C9 | N1 | C1 | H1 | 147.8° | 143.2° |
| C9 | N1 | C1 | H1A | 95.3° | 94.5° |
| N1 | C9 | C3 | H3 | 154.8° | 140.4° |
| N1 | C9 | H9 | H9A | 121.6° | 121.1° |
| N3 | C3 | C2 | C4 | 51.8° | 35.2° |
| N3 | C3 | C2 | C1 | 73.0° | 82.9° |
| N3 | C3 | C2 | C9 | 120.0° | 118.2° |
| N3 | C3 | C2 | H3 | 116.8° | 123.1° |
| N3 | C3 | C9 | H3 | 116.9° | 123.2° |
| C3 | N3 | HN3 | HN3A | 120.0° | 124.0° |
| N3 | C3 | C2 | H2 | 164.5° | 159.1° |
| N3 | C3 | C9 | H9 | 31.7° | 23.1° |
| N3 | C3 | C9 | H9A | 150.2° | 144.2° |
| C2 | C4 | O1 | N2 | 179.8° | 180.0° |
| C2 | C4 | N2 | C5 | 172.2° | 180.0° |
| C2 | C4 | N2 | C7 | 7.0° | 0.0° |
| C4 | C2 | C1 | C3 | 125.5° | 118.1° |
| C4 | C2 | C1 | H2 | 112.8° | 123.8° |
| C4 | C2 | C3 | H2 | 112.7° | 123.8° |
| C4 | C2 | C3 | C9 | 171.8° | 153.4° |
| C4 | C2 | C1 | H1 | 67.8° | 86.1° |
| C4 | C2 | C1 | H1A | 49.1° | 36.3° |
| C4 | C2 | C3 | H3 | 65.0° | 87.9° |
| O1 | C4 | N2 | C5 | 7.5° | 0.0° |
| O1 | C4 | N2 | C7 | 173.3° | 180.0° |
| O1 | C4 | C2 | C1 | 11.1° | 25.7° |
| O1 | C4 | C2 | C3 | 106.1° | 86.5° |
| O1 | C4 | C2 | H2 | 132.9° | 149.6° |
| C4 | N2 | C5 | C6 | 179.3° | 155.9° |
| C4 | N2 | C5 | C7 | 179.3° | 180.0° |
| C4 | N2 | C7 | C8 | 171.8° | 179.0° |
| N2 | C4 | C2 | C1 | 169.2° | 154.2° |
| N2 | C4 | C2 | C3 | 73.7° | 93.5° |
| C4 | N2 | C5 | H5 | 60.7° | 85.3° |
| C4 | N2 | C5 | H5A | 58.9° | 37.0° |
| C4 | N2 | C7 | H7 | 68.2° | 59.6° |
| C4 | N2 | C7 | H7A | 51.0° | 61.6° |
| N2 | C4 | C2 | H2 | 47.3° | 30.4° |
| C6 | C5 | N2 | H5 | 120.0° | 118.8° |
| C6 | C5 | N2 | H5A | 120.4° | 118.9° |
| C5 | C6 | C8 | H6 | 120.0° | 118.1° |
| C5 | C6 | C8 | H6A | 121.9° | 118.1° |
| C5 | C6 | C8 | C7 | 13.7° | 35.5° |
| C6 | C5 | N2 | C7 | 1.4° | 24.1° |
| C6 | C5 | H5 | H5A | 120.4° | 122.3° |
| C5 | C6 | H6 | H6A | 122.0° | 124.0° |
| C5 | C6 | C8 | H8 | 133.7° | 153.8° |
| C5 | C6 | C8 | H8A | 107.4° | 82.8° |
| N2 | C5 | C6 | C8 | 9.5° | 37.0° |
| C5 | N2 | C7 | C8 | 7.5° | 1.0° |
| N2 | C5 | H5 | H5A | 120.4° | 122.3° |
| N2 | C5 | C6 | H6 | 110.5° | 81.1° |
| N2 | C5 | C6 | H6A | 131.4° | 155.0° |
| C5 | N2 | C7 | H7 | 112.5° | 120.4° |
| C5 | N2 | C7 | H7A | 128.3° | 118.4° |
| C6 | C8 | C7 | H8 | 120.0° | 118.4° |
| C6 | C8 | C7 | H8A | 121.1° | 118.4° |
| C6 | C8 | C7 | N2 | 13.3° | 22.2° |
| C8 | C6 | C5 | H5 | 110.5° | 81.8° |
| C8 | C6 | C5 | H5A | 129.9° | 155.9° |
| C8 | C6 | H6 | H6A | 122.0° | 123.9° |
| C6 | C8 | C7 | H7 | 106.7° | 97.2° |
| C6 | C8 | C7 | H7A | 134.1° | 141.6° |
| C6 | C8 | H8 | H8A | 121.2° | 123.3° |
| C8 | C7 | N2 | H7 | 120.0° | 119.4° |
| C8 | C7 | N2 | H7A | 120.8° | 119.4° |
| C7 | C8 | C6 | H6 | 106.4° | 82.6° |
| C7 | C8 | C6 | H6A | 135.6° | 153.6° |
| C8 | C7 | H7 | H7A | 120.8° | 121.1° |
| C7 | C8 | H8 | H8A | 121.2° | 123.2° |
| C7 | N2 | C5 | H5 | 118.6° | 94.7° |
| C7 | N2 | C5 | H5A | 121.8° | 143.0° |
| N2 | C7 | H7 | H7A | 120.8° | 121.1° |
| N2 | C7 | C8 | H8 | 133.3° | 140.6° |
| N2 | C7 | C8 | H8A | 107.8° | 96.1° |
| C10 | C17 | C18 | N4 | 179.6° | 180.0° |
| C10 | C17 | C18 | N5 | 178.9° | 180.0° |
| C10 | C17 | N4 | C14 | 179.6° | 180.0° |
| C10 | C17 | C18 | H18 | 1.1° | 0.0° |
| O2 | C10 | C17 | C18 | 60.5° | 0.0° |
| O2 | C10 | C17 | N4 | 119.1° | 180.0° |
| N5 | C13 | C14 | C12 | 179.8° | 179.7° |
| N5 | C13 | C14 | C15 | 179.7° | 179.9° |
| C13 | N5 | C18 | C17 | 0.6° | 0.1° |
| N5 | C13 | C14 | N4 | 0.7° | 0.0° |
| N5 | C13 | C12 | C11 | 178.9° | 180.0° |
| C13 | N5 | C18 | H18 | 179.4° | 180.0° |
| N5 | C13 | C12 | H12 | 1.1° | 0.1° |
| C13 | C14 | C15 | N4 | 179.6° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | N4 | C17 | 0.7° | 0.1° |
| C14 | C13 | N5 | C18 | 0.0° | 0.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.2° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C12 | H12 | 179.1° | 179.8° |
| C12 | C13 | C14 | C15 | 0.0° | 0.2° |
| C12 | C13 | N5 | C18 | 179.8° | 179.7° |
| C12 | C13 | C14 | N4 | 179.6° | 179.7° |
| C13 | C12 | C11 | C16 | 1.7° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 178.4° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | N4 | C17 | 179.7° | 179.9° |
| C14 | C15 | C16 | C11 | 0.7° | 0.3° |
| C14 | C15 | C16 | H16 | 179.3° | 180.0° |
| C16 | C15 | C14 | N4 | 179.6° | 179.9° |
| C15 | C16 | C11 | H16 | 180.0° | 179.7° |
| C15 | C16 | C11 | C12 | 1.5° | 0.3° |
| C15 | C16 | C11 | H11 | 178.5° | 180.0° |
| C17 | C18 | N5 | H18 | 180.0° | 180.0° |
| C18 | C17 | N4 | C14 | 0.0° | 0.0° |
| N4 | C17 | C18 | N5 | 0.6° | 0.0° |
| N4 | C17 | C18 | H18 | 179.4° | 180.0° |
| N4 | C14 | C15 | H15 | 0.4° | 0.1° |
| C16 | C11 | C12 | H11 | 180.0° | 179.7° |
| C11 | C16 | C15 | H15 | 179.3° | 179.7° |
| C16 | C11 | C12 | H12 | 178.3° | 180.0° |
| C12 | C11 | C16 | H16 | 178.5° | 180.0° |
| C1 | C2 | C3 | H2 | 122.5° | 118.1° |
| C1 | C2 | C3 | C9 | 46.9° | 35.3° |
| C2 | C1 | H1 | H1A | 123.6° | 122.3° |
| C1 | C2 | C3 | H3 | 170.1° | 154.1° |
| C2 | C3 | C9 | H3 | 124.3° | 118.6° |
| C2 | C3 | N3 | HN3 | 88.6° | 173.6° |
| C2 | C3 | N3 | HN3A | 31.5° | 62.5° |
| C3 | C2 | C1 | H1 | 166.6° | 155.8° |
| C3 | C2 | C1 | H1A | 76.4° | 81.8° |
| C2 | C3 | C9 | H9 | 150.5° | 141.4° |
| C2 | C3 | C9 | H9A | 91.0° | 97.5° |
| C9 | C3 | N3 | HN3 | 160.6° | 60.1° |
| C9 | C3 | N3 | HN3A | 79.4° | 176.0° |
| C9 | C3 | C2 | H2 | 75.5° | 82.8° |
| C3 | C9 | H9 | H9A | 121.6° | 121.0° |
| HN3 | N3 | C3 | H3 | 36.5° | 63.2° |
| HN3A | N3 | C3 | H3 | 156.5° | 60.7° |
| H5 | C5 | C6 | H6 | 129.5° | 160.1° |
| H5 | C5 | C6 | H6A | 11.4° | 36.2° |
| H5A | C5 | C6 | H6 | 9.9° | 37.8° |
| H5A | C5 | C6 | H6A | 108.2° | 86.0° |
| H6 | C6 | C8 | H8 | 13.7° | 35.8° |
| H6 | C6 | C8 | H8A | 132.5° | 159.1° |
| H6A | C6 | C8 | H8 | 104.4° | 88.1° |
| H6A | C6 | C8 | H8A | 14.4° | 35.3° |
| H7 | C7 | C8 | H8 | 13.3° | 21.2° |
| H7 | C7 | C8 | H8A | 132.2° | 144.4° |
| H7A | C7 | C8 | H8 | 105.9° | 100.0° |
| H7A | C7 | C8 | H8A | 13.0° | 23.2° |
| H15 | C15 | C16 | H16 | 0.7° | 0.0° |
| H16 | C16 | C11 | H11 | 1.5° | 0.2° |
| H12 | C12 | C11 | H11 | 1.6° | 0.2° |
| H1 | C1 | C2 | H2 | 44.9° | 37.7° |
| H1A | C1 | C2 | H2 | 161.8° | 160.1° |
| H2 | C2 | C3 | H3 | 47.7° | 36.0° |
| H3 | C3 | C9 | H9 | 85.2° | 100.1° |
| H3 | C3 | C9 | H9A | 33.3° | 21.1° |
