GQ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| C3 | C2 | sing | 1.55Å | 1.49Å | |
| C4 | N | sing | 1.48Å | 1.48Å | |
| C2 | C1 | sing | 1.54Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.49Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| N5 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| N5 | C6 | doub | 1.30Å | 1.35Å | Aromatic |
| N | C5 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C21 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.36Å | 1.32Å | Aromatic |
| C19 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | N1 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N2 | sing | 1.40Å | 1.41Å | |
| N2 | C10 | sing | 1.35Å | 1.36Å | |
| C10 | O | doub | 1.22Å | 1.23Å | |
| C10 | C11 | sing | 1.48Å | 1.49Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.46Å | 1.42Å | Aromatic |
| C14 | N3 | doub | 1.30Å | 1.32Å | Aromatic |
| C13 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| N4 | C15 | sing | 1.46Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 105.2° | 101.7° |
| C3 | C4 | N | 105.6° | 104.8° |
| C3 | C4 | H5 | 110.4° | 110.4° |
| C3 | C4 | H6 | 110.4° | 110.5° |
| C4 | C3 | H25 | 110.5° | 111.0° |
| C4 | C3 | H26 | 110.5° | 111.0° |
| C3 | C2 | C1 | 101.2° | 103.0° |
| C3 | C2 | H2 | 111.5° | 110.7° |
| C3 | C2 | H3 | 111.5° | 110.9° |
| C2 | C3 | H25 | 110.5° | 111.0° |
| C2 | C3 | H26 | 110.5° | 111.0° |
| C4 | N | C1 | 104.9° | 108.5° |
| C4 | N | C5 | 113.2° | 111.0° |
| N | C4 | H5 | 110.4° | 110.4° |
| N | C4 | H6 | 110.4° | 110.3° |
| C2 | C1 | N | 102.0° | 107.3° |
| C2 | C1 | C | 113.6° | 109.9° |
| C1 | C2 | H2 | 111.5° | 110.8° |
| C1 | C2 | H3 | 111.5° | 110.7° |
| C2 | C1 | H21 | 109.1° | 109.9° |
| N | C1 | C | 113.2° | 109.9° |
| C1 | N | C5 | 113.2° | 111.0° |
| N | C1 | H21 | 109.6° | 109.9° |
| C | C1 | H21 | 109.2° | 109.9° |
| C1 | C | H22 | 109.5° | 109.5° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.4° | 109.4° |
| C21 | N5 | C6 | 107.1° | 109.7° |
| N5 | C21 | C20 | 132.7° | 133.5° |
| N5 | C21 | C7 | 105.5° | 106.9° |
| N5 | C6 | C5 | 122.2° | 125.0° |
| N5 | C6 | N1 | 112.9° | 110.1° |
| N | C5 | C6 | 112.4° | 109.5° |
| N | C5 | H18 | 108.7° | 109.5° |
| N | C5 | H19 | 108.8° | 109.4° |
| C21 | C20 | C19 | 118.3° | 120.0° |
| C20 | C21 | C7 | 121.8° | 119.6° |
| C21 | C20 | H17 | 120.9° | 119.9° |
| C20 | C19 | C9 | 120.6° | 120.6° |
| C20 | C19 | H16 | 119.7° | 119.7° |
| C19 | C20 | H17 | 120.8° | 120.1° |
| C5 | C6 | N1 | 124.8° | 124.9° |
| C6 | C5 | H18 | 108.7° | 109.5° |
| C6 | C5 | H19 | 108.7° | 109.5° |
| C21 | C7 | N1 | 109.5° | 106.0° |
| C21 | C7 | C8 | 119.6° | 119.9° |
| C6 | N1 | C7 | 105.0° | 107.3° |
| C6 | N1 | H1 | 127.5° | 126.4° |
| C19 | C9 | C8 | 120.3° | 120.3° |
| C19 | C9 | N2 | 118.6° | 119.8° |
| C9 | C19 | H16 | 119.7° | 119.7° |
| N1 | C7 | C8 | 130.8° | 134.1° |
| C7 | N1 | H1 | 127.5° | 126.3° |
| C7 | C8 | C9 | 119.3° | 119.6° |
| C7 | C8 | H15 | 120.4° | 120.2° |
| C8 | C9 | N2 | 121.0° | 119.9° |
| C9 | C8 | H15 | 120.4° | 120.2° |
| C9 | N2 | C10 | 127.9° | 120.0° |
| C9 | N2 | H4 | 116.1° | 119.9° |
| N2 | C10 | O | 123.5° | 120.0° |
| N2 | C10 | C11 | 115.7° | 120.0° |
| C10 | N2 | H4 | 116.1° | 120.0° |
| O | C10 | C11 | 120.6° | 120.0° |
| C10 | C11 | C12 | 121.1° | 119.9° |
| C10 | C11 | C18 | 118.9° | 119.9° |
| C11 | C12 | C13 | 119.4° | 119.4° |
| C12 | C11 | C18 | 120.0° | 120.2° |
| C11 | C12 | H14 | 120.3° | 120.3° |
| C12 | C13 | C14 | 136.3° | 133.9° |
| C12 | C13 | C16 | 119.4° | 119.8° |
| C13 | C12 | H14 | 120.3° | 120.3° |
| C11 | C18 | C17 | 121.1° | 120.7° |
| C11 | C18 | H8 | 119.4° | 119.7° |
| C13 | C14 | N3 | 111.3° | 107.7° |
| C14 | C13 | C16 | 104.3° | 106.3° |
| C13 | C14 | H13 | 124.4° | 126.1° |
| C14 | N3 | N4 | 106.1° | 110.2° |
| N3 | C14 | H13 | 124.3° | 126.2° |
| C13 | C16 | C17 | 121.7° | 119.8° |
| C13 | C16 | N4 | 106.6° | 106.7° |
| N3 | N4 | C16 | 111.6° | 109.1° |
| N3 | N4 | C15 | 120.1° | 125.4° |
| C18 | C17 | C16 | 118.3° | 120.2° |
| C17 | C18 | H8 | 119.4° | 119.6° |
| C18 | C17 | H9 | 120.9° | 119.9° |
| C17 | C16 | N4 | 131.6° | 133.5° |
| C16 | C17 | H9 | 120.8° | 119.9° |
| C16 | N4 | C15 | 128.1° | 125.4° |
| N4 | C15 | H10 | 109.5° | 109.5° |
| N4 | C15 | H11 | 109.4° | 109.4° |
| N4 | C15 | H12 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 110.6° |
| H5 | C4 | H6 | 109.5° | 110.3° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H18 | C5 | H19 | 109.5° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
| H22 | C | H24 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.4° |
| H25 | C3 | H26 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H25 | 119.3° | 118.1° |
| C4 | C3 | C2 | H26 | 119.3° | 118.1° |
| C3 | C4 | N | H5 | 119.4° | 118.9° |
| C3 | C4 | N | H6 | 119.4° | 119.0° |
| C4 | C3 | C2 | C1 | 33.2° | 35.7° |
| C3 | C4 | N | C1 | 19.8° | 24.1° |
| C3 | C4 | N | C5 | 143.7° | 146.4° |
| C4 | C3 | C2 | H2 | 85.4° | 82.8° |
| C4 | C3 | C2 | H3 | 151.9° | 154.1° |
| C3 | C4 | H5 | H6 | 121.8° | 122.4° |
| C4 | C3 | H25 | H26 | 121.9° | 123.9° |
| C2 | C3 | C4 | N | 9.0° | 37.1° |
| C3 | C2 | C1 | H2 | 118.7° | 118.4° |
| C3 | C2 | C1 | H3 | 118.6° | 118.6° |
| C3 | C2 | C1 | N | 45.6° | 22.3° |
| C3 | C2 | C1 | C | 167.8° | 97.2° |
| C3 | C2 | H2 | H3 | 123.8° | 123.3° |
| C2 | C3 | C4 | H5 | 128.3° | 155.9° |
| C2 | C3 | C4 | H6 | 110.4° | 81.8° |
| C3 | C2 | C1 | H21 | 70.2° | 141.7° |
| C2 | C3 | H25 | H26 | 122.0° | 123.9° |
| C4 | N | C1 | C2 | 40.7° | 0.9° |
| C4 | N | C1 | C5 | 123.9° | 122.3° |
| C4 | N | C1 | C | 163.1° | 120.4° |
| C4 | N | C5 | C6 | 59.9° | 69.9° |
| N | C4 | H5 | H6 | 121.8° | 122.2° |
| C4 | N | C5 | H18 | 179.7° | 50.1° |
| C4 | N | C5 | H19 | 60.5° | 170.1° |
| C4 | N | C1 | H21 | 74.8° | 118.5° |
| N | C4 | C3 | H25 | 128.3° | 155.1° |
| N | C4 | C3 | H26 | 110.4° | 81.0° |
| C2 | C1 | N | C | 122.4° | 119.5° |
| C2 | C1 | N | H21 | 115.5° | 119.4° |
| C2 | C1 | C | H21 | 122.0° | 121.1° |
| C2 | C1 | N | C5 | 164.6° | 123.2° |
| C1 | C2 | H2 | H3 | 123.8° | 123.1° |
| C2 | C1 | C | H22 | 180.0° | 61.4° |
| C2 | C1 | C | H23 | 60.0° | 178.5° |
| C2 | C1 | C | H24 | 60.0° | 58.6° |
| C1 | C2 | C3 | H25 | 152.5° | 153.8° |
| C1 | C2 | C3 | H26 | 86.1° | 82.4° |
| N | C1 | C | H21 | 122.4° | 121.1° |
| C1 | N | C5 | C6 | 179.1° | 169.3° |
| N | C1 | C2 | H2 | 73.0° | 96.1° |
| N | C1 | C2 | H3 | 164.3° | 140.9° |
| C1 | N | C4 | H5 | 99.6° | 142.9° |
| C1 | N | C4 | H6 | 139.2° | 94.9° |
| C1 | N | C5 | H18 | 60.5° | 70.7° |
| C1 | N | C5 | H19 | 58.6° | 49.3° |
| N | C1 | C | H22 | 64.3° | 179.2° |
| N | C1 | C | H23 | 55.7° | 60.7° |
| N | C1 | C | H24 | 175.7° | 59.2° |
| C | C1 | N | C5 | 73.0° | 117.3° |
| C | C1 | C2 | H2 | 49.1° | 144.5° |
| C | C1 | C2 | H3 | 73.6° | 21.4° |
| C1 | C | H22 | H23 | 120.0° | 120.1° |
| C1 | C | H22 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H24 | 120.0° | 119.9° |
| N5 | C21 | C20 | C7 | 178.9° | 179.4° |
| N5 | C21 | C20 | C19 | 180.0° | 179.2° |
| C21 | N5 | C6 | C5 | 177.4° | 180.0° |
| C21 | N5 | C6 | N1 | 0.0° | 0.3° |
| N5 | C21 | C7 | N1 | 1.2° | 0.4° |
| N5 | C21 | C7 | C8 | 179.5° | 179.8° |
| N5 | C21 | C20 | H17 | 0.0° | 0.1° |
| N5 | C6 | C5 | N | 83.1° | 85.0° |
| C6 | N5 | C21 | C20 | 178.2° | 180.0° |
| N5 | C6 | C5 | N1 | 177.0° | 179.6° |
| C6 | N5 | C21 | C7 | 0.8° | 0.5° |
| N5 | C6 | N1 | C7 | 0.7° | 0.1° |
| N5 | C6 | N1 | H1 | 179.3° | 179.9° |
| N5 | C6 | C5 | H18 | 156.5° | 35.0° |
| N5 | C6 | C5 | H19 | 37.3° | 155.0° |
| N | C5 | C6 | H18 | 120.4° | 120.0° |
| N | C5 | C6 | H19 | 120.4° | 120.0° |
| N | C5 | C6 | N1 | 93.9° | 94.6° |
| C5 | N | C4 | H5 | 24.3° | 94.8° |
| C5 | N | C4 | H6 | 96.9° | 27.4° |
| N | C5 | H18 | H19 | 118.7° | 120.0° |
| C5 | N | C1 | H21 | 49.1° | 3.8° |
| C21 | C20 | C19 | H17 | 180.0° | 179.2° |
| C21 | C20 | C19 | C9 | 0.1° | 0.6° |
| C20 | C21 | C7 | N1 | 177.9° | 180.0° |
| C20 | C21 | C7 | C8 | 1.3° | 0.2° |
| C21 | C20 | C19 | H16 | 179.9° | 179.9° |
| C19 | C20 | C21 | C7 | 1.1° | 0.3° |
| C20 | C19 | C9 | H16 | 180.0° | 179.6° |
| C20 | C19 | C9 | C8 | 0.7° | 0.4° |
| C20 | C19 | C9 | N2 | 178.1° | 179.5° |
| C5 | C6 | N1 | C7 | 176.5° | 179.7° |
| C5 | C6 | N1 | H1 | 3.4° | 0.4° |
| C6 | C5 | H18 | H19 | 118.7° | 120.0° |
| C21 | C7 | N1 | C6 | 1.2° | 0.2° |
| C21 | C7 | N1 | C8 | 179.1° | 179.8° |
| C21 | C7 | C8 | C9 | 0.5° | 0.3° |
| C21 | C7 | N1 | H1 | 178.8° | 179.6° |
| C21 | C7 | C8 | H15 | 179.5° | 179.7° |
| C7 | C21 | C20 | H17 | 178.9° | 179.5° |
| C6 | N1 | C7 | H1 | 180.0° | 179.9° |
| C6 | N1 | C7 | C8 | 179.6° | 180.0° |
| N1 | C6 | C5 | H18 | 26.5° | 145.4° |
| N1 | C6 | C5 | H19 | 145.6° | 25.4° |
| C19 | C9 | C8 | C7 | 0.5° | 0.0° |
| C19 | C9 | C8 | N2 | 177.3° | 179.9° |
| C19 | C9 | N2 | C10 | 170.7° | 35.1° |
| C19 | C9 | N2 | H4 | 9.3° | 144.8° |
| C19 | C9 | C8 | H15 | 179.5° | 180.0° |
| C9 | C19 | C20 | H17 | 179.9° | 179.8° |
| N1 | C7 | C8 | C9 | 178.6° | 179.9° |
| N1 | C7 | C8 | H15 | 1.4° | 0.0° |
| C7 | C8 | C9 | H15 | 180.0° | 179.9° |
| C7 | C8 | C9 | N2 | 177.8° | 179.9° |
| C8 | C7 | N1 | H1 | 0.3° | 0.1° |
| C8 | C9 | N2 | C10 | 6.7° | 144.8° |
| C8 | C9 | N2 | H4 | 173.3° | 35.2° |
| C8 | C9 | C19 | H16 | 179.3° | 180.0° |
| C9 | N2 | C10 | H4 | 180.0° | 179.9° |
| C9 | N2 | C10 | O | 11.4° | 4.6° |
| C9 | N2 | C10 | C11 | 173.5° | 175.4° |
| N2 | C9 | C8 | H15 | 2.2° | 0.1° |
| N2 | C9 | C19 | H16 | 1.9° | 0.1° |
| N2 | C10 | O | C11 | 174.9° | 180.0° |
| N2 | C10 | C11 | C12 | 38.9° | 180.0° |
| N2 | C10 | C11 | C18 | 143.2° | 0.0° |
| O | C10 | C11 | C12 | 136.4° | 0.0° |
| O | C10 | C11 | C18 | 41.5° | 180.0° |
| O | C10 | N2 | H4 | 168.6° | 175.3° |
| C10 | C11 | C12 | C18 | 177.9° | 180.0° |
| C10 | C11 | C12 | C13 | 177.3° | 179.9° |
| C10 | C11 | C18 | C17 | 179.4° | 180.0° |
| C11 | C10 | N2 | H4 | 6.5° | 4.6° |
| C10 | C11 | C18 | H8 | 0.6° | 0.0° |
| C10 | C11 | C12 | H14 | 2.7° | 0.0° |
| C11 | C12 | C13 | H14 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.4° | 179.9° |
| C11 | C12 | C13 | C16 | 3.0° | 0.1° |
| C12 | C11 | C18 | C17 | 1.5° | 0.0° |
| C12 | C11 | C18 | H8 | 178.5° | 179.9° |
| C13 | C12 | C11 | C18 | 0.6° | 0.1° |
| C12 | C13 | C14 | C16 | 177.9° | 180.0° |
| C12 | C13 | C14 | N3 | 176.6° | 180.0° |
| C12 | C13 | C16 | C17 | 3.4° | 0.1° |
| C12 | C13 | C16 | N4 | 176.1° | 180.0° |
| C12 | C13 | C14 | H13 | 3.5° | 0.1° |
| C11 | C18 | C17 | H8 | 180.0° | 180.0° |
| C11 | C18 | C17 | C16 | 1.1° | 0.0° |
| C11 | C18 | C17 | H9 | 178.9° | 180.0° |
| C18 | C11 | C12 | H14 | 179.3° | 180.0° |
| C13 | C14 | N3 | H13 | 180.0° | 179.9° |
| C13 | C14 | N3 | N4 | 0.1° | 0.0° |
| C14 | C13 | C16 | C17 | 178.3° | 180.0° |
| C14 | C13 | C16 | N4 | 2.2° | 0.0° |
| C14 | C13 | C12 | H14 | 0.6° | 0.0° |
| N3 | C14 | C13 | C16 | 1.3° | 0.0° |
| C14 | N3 | N4 | C16 | 1.6° | 0.0° |
| C14 | N3 | N4 | C15 | 174.0° | 180.0° |
| C13 | C16 | N4 | N3 | 2.4° | 0.1° |
| C13 | C16 | C17 | C18 | 1.3° | 0.0° |
| C13 | C16 | C17 | N4 | 179.4° | 179.9° |
| C13 | C16 | N4 | C15 | 172.8° | 180.0° |
| C13 | C16 | C17 | H9 | 178.7° | 179.9° |
| C16 | C13 | C14 | H13 | 178.7° | 179.9° |
| C16 | C13 | C12 | H14 | 177.0° | 180.0° |
| N3 | N4 | C16 | C17 | 178.1° | 179.9° |
| N3 | N4 | C16 | C15 | 175.2° | 179.9° |
| N3 | N4 | C15 | H10 | 0.0° | 90.0° |
| N3 | N4 | C15 | H11 | 120.0° | 150.0° |
| N3 | N4 | C15 | H12 | 120.0° | 30.1° |
| N4 | N3 | C14 | H13 | 179.9° | 180.0° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C18 | C17 | C16 | N4 | 178.1° | 179.9° |
| C17 | C16 | N4 | C15 | 6.7° | 0.1° |
| C16 | C17 | C18 | H8 | 178.9° | 180.0° |
| N4 | C16 | C17 | H9 | 1.9° | 0.1° |
| C16 | N4 | C15 | H10 | 174.8° | 89.9° |
| C16 | N4 | C15 | H11 | 54.8° | 30.1° |
| C16 | N4 | C15 | H12 | 65.2° | 150.0° |
| N4 | C15 | H10 | H11 | 120.0° | 120.0° |
| N4 | C15 | H10 | H12 | 120.0° | 120.1° |
| N4 | C15 | H11 | H12 | 120.0° | 120.0° |
| H2 | C2 | C1 | H21 | 171.1° | 23.4° |
| H2 | C2 | C3 | H25 | 33.9° | 35.3° |
| H2 | C2 | C3 | H26 | 155.2° | 159.2° |
| H3 | C2 | C1 | H21 | 48.4° | 99.7° |
| H3 | C2 | C3 | H25 | 88.8° | 87.8° |
| H3 | C2 | C3 | H26 | 32.5° | 36.1° |
| H5 | C4 | C3 | H25 | 112.3° | 86.0° |
| H5 | C4 | C3 | H26 | 9.0° | 37.8° |
| H6 | C4 | C3 | H25 | 8.9° | 36.3° |
| H6 | C4 | C3 | H26 | 130.2° | 160.1° |
| H8 | C18 | C17 | H9 | 1.1° | 0.1° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H16 | C19 | C20 | H17 | 0.1° | 0.6° |
| H21 | C1 | C | H22 | 58.1° | 59.7° |
| H21 | C1 | C | H23 | 178.1° | 60.4° |
| H21 | C1 | C | H24 | 62.0° | 179.7° |
| H22 | C | H23 | H24 | 120.0° | 120.0° |
