G5D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C19 | trip | 1.14Å | 1.15Å | |
| C19 | C18 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | O2 | doub | 1.21Å | 1.22Å | |
| C17 | N4 | sing | 1.35Å | 1.38Å | |
| C5 | C6 | sing | 1.56Å | 1.57Å | |
| C5 | N3 | sing | 1.48Å | 1.48Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | N4 | sing | 1.49Å | 1.47Å | |
| C6 | C16 | sing | 1.57Å | 1.56Å | |
| N4 | C7 | sing | 1.48Å | 1.49Å | |
| N3 | C2 | sing | 1.39Å | 1.37Å | |
| N3 | C8 | sing | 1.50Å | 1.48Å | |
| C2 | N1 | doub | 1.33Å | 1.38Å | Aromatic |
| N2 | C1 | doub | 1.32Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.56Å | 1.56Å | |
| C16 | C8 | sing | 1.57Å | 1.55Å | |
| N1 | C1 | sing | 1.32Å | 1.37Å | Aromatic |
| C1 | N5 | sing | 1.39Å | 1.39Å | |
| N5 | C9 | sing | 1.39Å | 1.41Å | |
| C9 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.48Å | |
| N6 | C15 | sing | 1.35Å | 1.38Å | |
| N6 | C20 | sing | 1.47Å | 1.47Å | |
| C15 | O1 | doub | 1.22Å | 1.23Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N5 | H9 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C19 | C18 | 179.4° | 180.0° |
| C19 | C18 | C17 | 109.8° | 109.5° |
| C19 | C18 | H18 | 109.4° | 109.5° |
| C19 | C18 | H17 | 109.4° | 109.5° |
| C18 | C17 | O2 | 123.5° | 120.0° |
| C18 | C17 | N4 | 117.1° | 120.0° |
| C17 | C18 | H18 | 109.4° | 109.4° |
| C17 | C18 | H17 | 109.4° | 109.5° |
| O2 | C17 | N4 | 119.4° | 120.0° |
| C17 | N4 | C6 | 128.8° | 126.9° |
| C17 | N4 | C7 | 121.8° | 126.9° |
| C6 | C5 | N3 | 101.1° | 105.1° |
| C5 | C6 | N4 | 107.6° | 104.1° |
| C5 | C6 | C16 | 100.2° | 99.7° |
| C5 | C6 | H5 | 114.9° | 116.9° |
| C6 | C5 | H4 | 111.5° | 110.3° |
| C6 | C5 | H3 | 111.5° | 110.3° |
| C5 | N3 | C2 | 124.9° | 111.0° |
| C5 | N3 | C8 | 108.4° | 106.0° |
| N3 | C5 | H4 | 111.5° | 110.3° |
| N3 | C5 | H3 | 111.5° | 110.3° |
| C4 | C3 | C2 | 115.9° | 118.5° |
| C3 | C4 | N2 | 124.5° | 119.3° |
| C3 | C4 | H2 | 117.8° | 120.3° |
| C4 | C3 | H1 | 122.0° | 120.8° |
| C3 | C2 | N3 | 121.6° | 120.5° |
| C3 | C2 | N1 | 123.5° | 119.1° |
| C2 | C3 | H1 | 122.1° | 120.7° |
| C4 | N2 | C1 | 115.1° | 120.9° |
| N2 | C4 | H2 | 117.8° | 120.4° |
| N4 | C6 | C16 | 100.4° | 101.0° |
| C6 | N4 | C7 | 108.3° | 106.2° |
| N4 | C6 | H5 | 116.5° | 116.1° |
| C6 | C16 | C8 | 93.3° | 94.2° |
| C16 | C6 | H5 | 115.1° | 116.5° |
| C6 | C16 | H15 | 113.4° | 112.3° |
| C6 | C16 | H16 | 113.3° | 112.3° |
| N4 | C7 | C8 | 101.1° | 105.1° |
| N4 | C7 | H6 | 111.5° | 110.4° |
| N4 | C7 | H7 | 111.5° | 110.4° |
| C2 | N3 | C8 | 124.4° | 111.0° |
| N3 | C2 | N1 | 114.9° | 120.5° |
| N3 | C8 | C7 | 105.1° | 104.1° |
| N3 | C8 | C16 | 101.3° | 101.0° |
| N3 | C8 | H8 | 116.6° | 116.1° |
| C2 | N1 | C1 | 114.6° | 120.6° |
| N2 | C1 | N1 | 126.4° | 121.7° |
| N2 | C1 | N5 | 113.2° | 119.1° |
| C7 | C8 | C16 | 101.1° | 99.6° |
| C8 | C7 | H6 | 111.5° | 110.3° |
| C8 | C7 | H7 | 111.5° | 110.3° |
| C7 | C8 | H8 | 115.3° | 116.3° |
| C16 | C8 | H8 | 115.3° | 117.2° |
| C8 | C16 | H15 | 113.4° | 112.4° |
| C8 | C16 | H16 | 113.3° | 112.4° |
| N1 | C1 | N5 | 120.5° | 119.2° |
| C1 | N5 | C9 | 128.5° | 120.0° |
| C1 | N5 | H9 | 115.8° | 120.0° |
| N5 | C9 | C14 | 124.7° | 119.9° |
| N5 | C9 | C10 | 115.9° | 120.0° |
| C9 | N5 | H9 | 115.8° | 120.0° |
| C14 | C9 | C10 | 119.4° | 120.1° |
| C9 | C14 | C13 | 119.5° | 120.1° |
| C9 | C14 | H13 | 120.2° | 120.0° |
| C9 | C10 | C11 | 120.1° | 120.1° |
| C9 | C10 | H10 | 119.9° | 119.9° |
| C14 | C13 | C12 | 120.8° | 119.9° |
| C14 | C13 | H12 | 119.6° | 120.0° |
| C13 | C14 | H13 | 120.2° | 119.9° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C13 | C12 | C11 | 119.7° | 119.8° |
| C13 | C12 | C15 | 122.5° | 120.1° |
| C12 | C13 | H12 | 119.6° | 120.0° |
| C11 | C12 | C15 | 117.7° | 120.1° |
| C12 | C11 | H11 | 119.9° | 120.0° |
| C12 | C15 | N6 | 116.8° | 120.0° |
| C12 | C15 | O1 | 121.4° | 120.0° |
| C15 | N6 | C20 | 122.6° | 120.0° |
| N6 | C15 | O1 | 121.7° | 120.0° |
| C15 | N6 | H14 | 118.7° | 120.0° |
| N6 | C20 | C21 | 110.8° | 109.5° |
| N6 | C20 | H19 | 109.1° | 109.5° |
| N6 | C20 | H20 | 109.1° | 109.5° |
| C20 | N6 | H14 | 118.7° | 120.0° |
| C21 | C20 | H19 | 109.1° | 109.4° |
| C21 | C20 | H20 | 109.1° | 109.4° |
| C20 | C21 | H23 | 109.5° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H22 | 109.4° | 109.5° |
| H6 | C7 | H7 | 109.5° | 110.3° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H23 | C21 | H21 | 109.5° | 109.5° |
| H23 | C21 | H22 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H18 | C18 | H17 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 112.0° |
| H4 | C5 | H3 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C19 | C18 | C17 | 85.3° | 150.0° |
| N7 | C19 | C18 | H18 | 34.8° | 30.0° |
| N7 | C19 | C18 | H17 | 154.7° | 90.0° |
| C19 | C18 | C17 | H18 | 120.0° | 120.0° |
| C19 | C18 | C17 | H17 | 120.0° | 120.0° |
| C19 | C18 | C17 | O2 | 6.0° | 0.0° |
| C19 | C18 | C17 | N4 | 175.8° | 180.0° |
| C19 | C18 | H18 | H17 | 119.8° | 120.1° |
| C18 | C17 | O2 | N4 | 178.2° | 180.0° |
| C18 | C17 | N4 | C6 | 8.4° | 180.0° |
| C18 | C17 | N4 | C7 | 175.1° | 0.0° |
| C17 | C18 | H18 | H17 | 119.9° | 120.0° |
| O2 | C17 | N4 | C6 | 173.3° | 0.0° |
| O2 | C17 | N4 | C7 | 6.6° | 180.0° |
| O2 | C17 | C18 | H18 | 126.0° | 120.0° |
| O2 | C17 | C18 | H17 | 114.1° | 120.0° |
| C17 | N4 | C6 | C5 | 99.2° | 113.1° |
| C17 | N4 | C6 | C7 | 168.2° | 180.0° |
| C17 | N4 | C6 | C16 | 156.4° | 143.9° |
| C17 | N4 | C7 | C8 | 169.3° | 178.0° |
| C17 | N4 | C7 | H6 | 72.1° | 63.0° |
| C17 | N4 | C7 | H7 | 50.6° | 59.2° |
| C17 | N4 | C6 | H5 | 31.4° | 16.8° |
| N4 | C17 | C18 | H18 | 55.8° | 60.0° |
| N4 | C17 | C18 | H17 | 64.2° | 60.0° |
| C6 | C5 | N3 | H4 | 118.7° | 118.8° |
| C6 | C5 | N3 | H3 | 118.6° | 118.9° |
| C5 | C6 | N4 | C16 | 104.3° | 103.0° |
| C5 | C6 | N4 | H5 | 130.6° | 129.9° |
| C5 | C6 | C16 | H5 | 123.8° | 126.7° |
| C5 | C6 | N4 | C7 | 69.0° | 66.9° |
| C6 | C5 | N3 | C2 | 167.7° | 118.7° |
| C6 | C5 | N3 | C8 | 4.3° | 2.0° |
| C5 | C6 | C16 | C8 | 55.7° | 52.2° |
| C5 | C6 | C16 | H15 | 61.5° | 64.2° |
| C5 | C6 | C16 | H16 | 172.9° | 168.4° |
| C6 | C5 | H4 | H3 | 123.9° | 122.2° |
| C5 | N3 | C2 | C3 | 5.0° | 62.1° |
| N3 | C5 | C6 | N4 | 65.9° | 71.2° |
| N3 | C5 | C6 | C16 | 38.6° | 32.9° |
| C5 | N3 | C2 | C8 | 160.8° | 117.6° |
| C5 | N3 | C2 | N1 | 175.9° | 117.6° |
| C5 | N3 | C8 | C7 | 73.2° | 66.7° |
| C5 | N3 | C8 | C16 | 31.7° | 36.2° |
| N3 | C5 | C6 | H5 | 162.6° | 159.3° |
| C5 | N3 | C8 | H8 | 157.7° | 164.1° |
| N3 | C5 | H4 | H3 | 123.9° | 122.2° |
| C4 | C3 | C2 | H1 | 180.0° | 179.5° |
| C3 | C4 | N2 | H2 | 180.0° | 179.7° |
| C4 | C3 | C2 | N3 | 178.8° | 179.7° |
| C4 | C3 | C2 | N1 | 2.2° | 0.5° |
| C3 | C4 | N2 | C1 | 0.8° | 0.3° |
| C2 | C3 | C4 | N2 | 1.2° | 0.5° |
| C3 | C2 | N3 | N1 | 179.1° | 179.8° |
| C3 | C2 | N3 | C8 | 165.8° | 179.7° |
| C3 | C2 | N1 | C1 | 0.9° | 0.2° |
| C2 | C3 | C4 | H2 | 178.8° | 179.8° |
| C4 | N2 | C1 | N1 | 2.3° | 0.0° |
| C4 | N2 | C1 | N5 | 178.3° | 180.0° |
| N2 | C4 | C3 | H1 | 178.8° | 180.0° |
| N4 | C6 | C16 | H5 | 126.0° | 126.8° |
| C6 | N4 | C7 | C8 | 0.1° | 2.0° |
| N4 | C6 | C16 | C8 | 54.4° | 54.4° |
| C6 | N4 | C7 | H6 | 118.7° | 117.0° |
| C6 | N4 | C7 | H7 | 118.6° | 120.8° |
| N4 | C6 | C16 | H15 | 171.7° | 170.8° |
| N4 | C6 | C16 | H16 | 62.7° | 61.9° |
| N4 | C6 | C5 | H4 | 52.8° | 169.9° |
| N4 | C6 | C5 | H3 | 175.5° | 47.7° |
| C16 | C6 | N4 | C7 | 35.4° | 36.1° |
| C6 | C16 | C8 | N3 | 53.1° | 54.6° |
| C6 | C16 | C8 | C7 | 54.9° | 51.9° |
| C6 | C16 | C8 | H15 | 117.2° | 116.3° |
| C6 | C16 | C8 | H16 | 117.2° | 116.3° |
| C6 | C16 | C8 | H8 | 180.0° | 178.2° |
| C6 | C16 | H15 | H16 | 127.6° | 127.5° |
| C16 | C6 | C5 | H4 | 157.2° | 86.0° |
| C16 | C6 | C5 | H3 | 80.0° | 151.8° |
| N4 | C7 | C8 | N3 | 69.6° | 71.2° |
| N4 | C7 | C8 | H6 | 118.6° | 118.9° |
| N4 | C7 | C8 | H7 | 118.7° | 119.0° |
| N4 | C7 | C8 | C16 | 35.4° | 32.8° |
| N4 | C7 | H6 | H7 | 123.9° | 122.2° |
| C7 | N4 | C6 | H5 | 160.4° | 163.2° |
| N4 | C7 | C8 | H8 | 160.6° | 159.7° |
| C2 | N3 | C8 | C7 | 123.3° | 172.6° |
| C2 | N3 | C8 | C16 | 131.8° | 84.4° |
| N3 | C2 | N1 | C1 | 180.0° | 180.0° |
| C2 | N3 | C8 | H8 | 5.8° | 43.5° |
| N3 | C2 | C3 | H1 | 1.2° | 0.2° |
| C2 | N3 | C5 | H4 | 73.6° | 0.2° |
| C2 | N3 | C5 | H3 | 49.1° | 122.4° |
| C8 | N3 | C2 | N1 | 15.0° | 0.0° |
| N3 | C8 | C7 | C16 | 105.1° | 104.0° |
| N3 | C8 | C7 | H8 | 129.8° | 129.0° |
| N3 | C8 | C16 | H8 | 126.9° | 127.2° |
| N3 | C8 | C7 | H6 | 171.7° | 47.7° |
| N3 | C8 | C7 | H7 | 49.0° | 169.8° |
| N3 | C8 | C16 | H15 | 64.1° | 61.7° |
| N3 | C8 | C16 | H16 | 170.3° | 170.9° |
| C8 | N3 | C5 | H4 | 122.9° | 120.8° |
| C8 | N3 | C5 | H3 | 114.4° | 117.0° |
| C2 | N1 | C1 | N2 | 1.4° | 0.0° |
| C2 | N1 | C1 | N5 | 179.2° | 180.0° |
| N1 | C2 | C3 | H1 | 177.9° | 180.0° |
| N2 | C1 | N1 | N5 | 179.3° | 180.0° |
| N2 | C1 | N5 | C9 | 178.8° | 5.5° |
| C1 | N2 | C4 | H2 | 179.2° | 179.9° |
| N2 | C1 | N5 | H9 | 1.3° | 174.5° |
| C7 | C8 | C16 | H8 | 125.1° | 126.3° |
| C8 | C7 | H6 | H7 | 123.8° | 122.1° |
| C7 | C8 | C16 | H15 | 172.1° | 168.2° |
| C7 | C8 | C16 | H16 | 62.3° | 64.3° |
| C16 | C8 | C7 | H6 | 83.2° | 151.7° |
| C16 | C8 | C7 | H7 | 154.1° | 86.2° |
| C8 | C16 | C6 | H5 | 179.6° | 178.8° |
| C8 | C16 | H15 | H16 | 127.6° | 127.6° |
| N1 | C1 | N5 | C9 | 1.8° | 174.5° |
| N1 | C1 | N5 | H9 | 178.2° | 5.6° |
| C1 | N5 | C9 | H9 | 180.0° | 179.9° |
| C1 | N5 | C9 | C14 | 8.5° | 33.9° |
| C1 | N5 | C9 | C10 | 172.0° | 145.9° |
| N5 | C9 | C14 | C10 | 179.5° | 179.8° |
| N5 | C9 | C14 | C13 | 175.0° | 179.7° |
| N5 | C9 | C10 | C11 | 175.3° | 179.7° |
| N5 | C9 | C10 | H10 | 4.7° | 0.2° |
| N5 | C9 | C14 | H13 | 5.0° | 0.2° |
| C9 | C14 | C13 | H13 | 180.0° | 179.9° |
| C14 | C9 | C10 | C11 | 5.1° | 0.1° |
| C9 | C14 | C13 | C12 | 1.2° | 0.0° |
| C9 | C14 | C13 | H12 | 178.8° | 179.9° |
| C14 | C9 | N5 | H9 | 171.5° | 146.1° |
| C14 | C9 | C10 | H10 | 174.9° | 179.9° |
| C10 | C9 | C14 | C13 | 5.5° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.0° |
| C10 | C9 | N5 | H9 | 8.0° | 34.1° |
| C9 | C10 | C11 | H11 | 179.6° | 180.0° |
| C10 | C9 | C14 | H13 | 174.5° | 180.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 3.6° | 0.0° |
| C14 | C13 | C12 | C15 | 172.6° | 180.0° |
| C10 | C11 | C12 | C13 | 3.9° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C15 | 172.4° | 179.9° |
| C13 | C12 | C11 | C15 | 176.3° | 179.9° |
| C13 | C12 | C15 | N6 | 42.2° | 180.0° |
| C13 | C12 | C15 | O1 | 137.2° | 0.0° |
| C13 | C12 | C11 | H11 | 176.1° | 179.9° |
| C12 | C13 | C14 | H13 | 178.8° | 180.0° |
| C11 | C12 | C15 | N6 | 141.6° | 0.1° |
| C11 | C12 | C15 | O1 | 39.0° | 180.0° |
| C11 | C12 | C13 | H12 | 176.5° | 180.0° |
| C12 | C11 | C10 | H10 | 179.6° | 180.0° |
| C12 | C15 | N6 | O1 | 179.4° | 180.0° |
| C12 | C15 | N6 | C20 | 179.2° | 180.0° |
| C15 | C12 | C13 | H12 | 7.4° | 0.1° |
| C15 | C12 | C11 | H11 | 7.6° | 0.0° |
| C12 | C15 | N6 | H14 | 0.8° | 0.0° |
| C15 | N6 | C20 | H14 | 180.0° | 180.0° |
| C15 | N6 | C20 | C21 | 129.3° | 180.0° |
| C15 | N6 | C20 | H19 | 9.1° | 60.0° |
| C15 | N6 | C20 | H20 | 110.5° | 60.0° |
| C20 | N6 | C15 | O1 | 0.2° | 0.0° |
| N6 | C20 | C21 | H19 | 120.2° | 120.0° |
| N6 | C20 | C21 | H20 | 120.2° | 120.0° |
| N6 | C20 | H19 | H20 | 119.4° | 120.1° |
| N6 | C20 | C21 | H23 | 180.0° | 180.0° |
| N6 | C20 | C21 | H21 | 60.0° | 60.0° |
| N6 | C20 | C21 | H22 | 60.0° | 60.0° |
| O1 | C15 | N6 | H14 | 179.8° | 180.0° |
| C21 | C20 | H19 | H20 | 119.4° | 120.0° |
| C20 | C21 | H23 | H21 | 120.0° | 120.0° |
| C20 | C21 | H23 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H22 | 120.0° | 119.9° |
| C21 | C20 | N6 | H14 | 50.7° | 0.0° |
| H2 | C4 | C3 | H1 | 1.2° | 0.3° |
| H6 | C7 | C8 | H8 | 41.9° | 81.3° |
| H7 | C7 | C8 | H8 | 80.8° | 40.8° |
| H5 | C6 | C16 | H15 | 62.3° | 62.5° |
| H5 | C6 | C16 | H16 | 63.2° | 64.9° |
| H5 | C6 | C5 | H4 | 78.8° | 40.4° |
| H5 | C6 | C5 | H3 | 44.0° | 81.8° |
| H12 | C13 | C14 | H13 | 1.2° | 0.0° |
| H19 | C20 | C21 | H23 | 59.8° | 60.0° |
| H19 | C20 | C21 | H21 | 179.8° | 60.0° |
| H19 | C20 | C21 | H22 | 60.2° | 179.9° |
| H19 | C20 | N6 | H14 | 170.9° | 120.0° |
| H20 | C20 | C21 | H23 | 59.8° | 60.0° |
| H20 | C20 | C21 | H21 | 60.2° | 180.0° |
| H20 | C20 | C21 | H22 | 179.8° | 60.1° |
| H20 | C20 | N6 | H14 | 69.5° | 120.0° |
| H23 | C21 | H21 | H22 | 120.0° | 120.0° |
| H8 | C8 | C16 | H15 | 62.8° | 65.5° |
| H8 | C8 | C16 | H16 | 62.8° | 62.0° |
| H10 | C10 | C11 | H11 | 0.4° | 0.0° |
