GD5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.47Å | |
| C2 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | N4 | sing | 1.41Å | 1.35Å | |
| C4 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.35Å | Aromatic |
| N2 | C5 | sing | 1.47Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | C9 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | N3 | sing | 1.47Å | 1.49Å | |
| N3 | C8 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| N4 | C10 | sing | 1.39Å | 1.39Å | |
| C10 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | CL | sing | 1.74Å | 1.71Å | |
| C13 | N6 | sing | 1.34Å | 1.32Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N8 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | N7 | sing | 1.33Å | 1.39Å | Aromatic |
| N7 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | N8 | sing | 1.37Å | 1.33Å | Aromatic |
| C16 | C20 | sing | 1.41Å | 1.48Å | Aromatic |
| N8 | C17 | sing | 1.36Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.45Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.34Å | Aromatic |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N4 | HA | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 1.01Å | 1.00Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 131.7° | 126.2° |
| C1 | C2 | N2 | 123.9° | 126.3° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.5° |
| C3 | C2 | N2 | 104.4° | 107.5° |
| C2 | C3 | C4 | 106.8° | 107.9° |
| C2 | C3 | N4 | 123.4° | 126.1° |
| C2 | N2 | N1 | 114.4° | 107.9° |
| C2 | N2 | C5 | 124.2° | 126.0° |
| C4 | C3 | N4 | 129.8° | 126.1° |
| C3 | C4 | N1 | 110.2° | 108.4° |
| C3 | C4 | H4 | 124.9° | 125.8° |
| C3 | N4 | C10 | 122.7° | 120.0° |
| C3 | N4 | HA | 118.7° | 120.0° |
| C4 | N1 | N2 | 104.2° | 108.4° |
| N1 | C4 | H4 | 124.9° | 125.8° |
| N1 | N2 | C5 | 121.4° | 126.1° |
| N2 | C5 | C6 | 111.6° | 109.5° |
| N2 | C5 | C9 | 109.8° | 109.5° |
| N2 | C5 | H5 | 108.2° | 109.6° |
| C6 | C5 | C9 | 111.9° | 109.2° |
| C5 | C6 | C7 | 109.1° | 109.3° |
| C6 | C5 | H5 | 107.6° | 109.6° |
| C5 | C6 | H61C | 109.6° | 109.5° |
| C5 | C6 | H62C | 109.6° | 109.5° |
| C5 | C9 | C8 | 112.2° | 109.3° |
| C9 | C5 | H5 | 107.5° | 109.5° |
| C5 | C9 | H91C | 108.8° | 109.4° |
| C5 | C9 | H92C | 108.8° | 109.5° |
| C6 | C7 | N3 | 104.3° | 109.5° |
| C7 | C6 | H61C | 109.6° | 109.5° |
| C7 | C6 | H62C | 109.6° | 109.5° |
| C6 | C7 | H71C | 110.7° | 109.5° |
| C6 | C7 | H72C | 110.7° | 109.5° |
| C7 | N3 | C8 | 110.9° | 111.2° |
| N3 | C7 | H71C | 110.8° | 109.5° |
| N3 | C7 | H72C | 110.7° | 109.5° |
| C7 | N3 | H3 | 109.1° | 111.0° |
| N3 | C8 | C9 | 108.4° | 109.6° |
| C8 | N3 | H3 | 109.1° | 111.0° |
| N3 | C8 | H81C | 109.7° | 109.5° |
| N3 | C8 | H82C | 109.7° | 109.5° |
| C8 | C9 | H91C | 108.8° | 109.5° |
| C8 | C9 | H92C | 108.8° | 109.6° |
| C9 | C8 | H81C | 109.7° | 109.4° |
| C9 | C8 | H82C | 109.7° | 109.4° |
| N4 | C10 | N5 | 115.6° | 119.1° |
| N4 | C10 | N6 | 117.6° | 119.1° |
| C10 | N4 | HA | 118.6° | 120.0° |
| N5 | C10 | N6 | 126.8° | 121.8° |
| C10 | N5 | C11 | 115.8° | 121.1° |
| C10 | N6 | C13 | 115.8° | 120.5° |
| N5 | C11 | C12 | 121.6° | 119.3° |
| N5 | C11 | H11 | 119.2° | 120.4° |
| C11 | C12 | C13 | 118.4° | 118.4° |
| C11 | C12 | CL | 115.8° | 120.8° |
| C12 | C11 | H11 | 119.2° | 120.3° |
| C13 | C12 | CL | 125.8° | 120.8° |
| C12 | C13 | N6 | 121.6° | 118.9° |
| C12 | C13 | C14 | 123.7° | 120.6° |
| N6 | C13 | C14 | 114.7° | 120.6° |
| C13 | C14 | C15 | 126.3° | 126.7° |
| C13 | C14 | N8 | 127.2° | 126.7° |
| C15 | C14 | N8 | 106.5° | 106.6° |
| C14 | C15 | N7 | 105.3° | 108.3° |
| C14 | C15 | H15 | 127.4° | 125.8° |
| C14 | N8 | C16 | 110.0° | 107.0° |
| C14 | N8 | C17 | 128.2° | 132.5° |
| C15 | N7 | C16 | 111.1° | 109.6° |
| N7 | C15 | H15 | 127.3° | 125.9° |
| N7 | C16 | N8 | 107.1° | 108.5° |
| N7 | C16 | C20 | 131.6° | 131.9° |
| N8 | C16 | C20 | 121.4° | 119.6° |
| C16 | N8 | C17 | 121.8° | 120.5° |
| C16 | C20 | C19 | 116.7° | 119.4° |
| C16 | C20 | H20 | 121.7° | 120.3° |
| N8 | C17 | C18 | 118.3° | 120.6° |
| N8 | C17 | H17 | 120.8° | 119.6° |
| C17 | C18 | C19 | 122.7° | 120.2° |
| C18 | C17 | H17 | 120.8° | 119.7° |
| C17 | C18 | H18 | 118.7° | 119.9° |
| C18 | C19 | C20 | 119.1° | 119.7° |
| C19 | C18 | H18 | 118.6° | 119.9° |
| C18 | C19 | H19 | 120.5° | 120.2° |
| C19 | C20 | H20 | 121.6° | 120.3° |
| C20 | C19 | H19 | 120.5° | 120.2° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.4° | 109.4° |
| H81C | C8 | H82C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N2 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 180.0° | 179.9° |
| C1 | C2 | C3 | N4 | 0.3° | 0.0° |
| C1 | C2 | N2 | N1 | 180.0° | 179.9° |
| C1 | C2 | N2 | C5 | 0.6° | 0.0° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C2 | C3 | C4 | N4 | 179.8° | 179.9° |
| C2 | C3 | C4 | N1 | 0.1° | 0.1° |
| C3 | C2 | N2 | N1 | 0.1° | 0.4° |
| C3 | C2 | N2 | C5 | 179.4° | 179.8° |
| C2 | C3 | N4 | C10 | 148.4° | 180.0° |
| C3 | C2 | C1 | H11C | 90.0° | 90.0° |
| C3 | C2 | C1 | H12C | 150.0° | 150.0° |
| C3 | C2 | C1 | H13C | 30.0° | 29.9° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C2 | C3 | N4 | HA | 31.6° | 0.0° |
| N2 | C2 | C3 | C4 | 0.1° | 0.2° |
| N2 | C2 | C3 | N4 | 179.7° | 179.7° |
| C2 | N2 | N1 | C4 | 0.0° | 0.4° |
| C2 | N2 | N1 | C5 | 179.4° | 179.9° |
| C2 | N2 | C5 | C6 | 103.4° | 120.0° |
| C2 | N2 | C5 | C9 | 131.9° | 120.3° |
| N2 | C2 | C1 | H11C | 90.0° | 90.3° |
| N2 | C2 | C1 | H12C | 30.0° | 29.7° |
| N2 | C2 | C1 | H13C | 150.0° | 149.7° |
| C2 | N2 | C5 | H5 | 14.8° | 0.2° |
| C3 | C4 | N1 | H4 | 180.0° | 179.9° |
| C3 | C4 | N1 | N2 | 0.1° | 0.3° |
| C4 | C3 | N4 | C10 | 31.9° | 0.0° |
| C4 | C3 | N4 | HA | 148.1° | 180.0° |
| N4 | C3 | C4 | N1 | 179.7° | 180.0° |
| C3 | N4 | C10 | HA | 180.0° | 180.0° |
| C3 | N4 | C10 | N5 | 170.9° | 0.0° |
| C3 | N4 | C10 | N6 | 9.1° | 179.7° |
| N4 | C3 | C4 | H4 | 0.4° | 0.1° |
| C4 | N1 | N2 | C5 | 179.4° | 179.7° |
| N1 | N2 | C5 | C6 | 77.3° | 59.9° |
| N1 | N2 | C5 | C9 | 47.4° | 59.8° |
| N2 | N1 | C4 | H4 | 179.9° | 179.8° |
| N1 | N2 | C5 | H5 | 164.5° | 180.0° |
| N2 | C5 | C6 | C9 | 123.5° | 119.9° |
| N2 | C5 | C6 | H5 | 118.6° | 120.2° |
| N2 | C5 | C9 | H5 | 117.5° | 120.2° |
| N2 | C5 | C6 | C7 | 179.3° | 177.5° |
| N2 | C5 | C9 | C8 | 174.0° | 177.5° |
| N2 | C5 | C6 | H61C | 59.4° | 62.6° |
| N2 | C5 | C6 | H62C | 60.7° | 57.6° |
| N2 | C5 | C9 | H91C | 53.6° | 57.6° |
| N2 | C5 | C9 | H92C | 65.5° | 62.5° |
| C6 | C5 | C9 | H5 | 118.0° | 120.0° |
| C5 | C6 | C7 | H61C | 119.9° | 119.9° |
| C5 | C6 | C7 | H62C | 120.0° | 120.0° |
| C5 | C6 | C7 | N3 | 65.1° | 59.2° |
| C6 | C5 | C9 | C8 | 49.5° | 57.6° |
| C5 | C6 | H61C | H62C | 120.2° | 120.1° |
| C6 | C5 | C9 | H91C | 70.9° | 62.3° |
| C6 | C5 | C9 | H92C | 169.9° | 177.6° |
| C5 | C6 | C7 | H71C | 54.1° | 60.8° |
| C5 | C6 | C7 | H72C | 175.7° | 179.2° |
| C9 | C5 | C6 | C7 | 57.1° | 57.7° |
| C5 | C9 | C8 | N3 | 50.7° | 59.1° |
| C5 | C9 | C8 | H91C | 120.4° | 119.8° |
| C5 | C9 | C8 | H92C | 120.4° | 120.0° |
| C9 | C5 | C6 | H61C | 177.1° | 177.6° |
| C9 | C5 | C6 | H62C | 62.8° | 62.3° |
| C5 | C9 | H91C | H92C | 118.8° | 120.1° |
| C5 | C9 | C8 | H81C | 69.2° | 60.9° |
| C5 | C9 | C8 | H82C | 170.5° | 179.2° |
| C6 | C7 | N3 | H71C | 119.2° | 120.0° |
| C6 | C7 | N3 | H72C | 119.2° | 120.0° |
| C6 | C7 | N3 | C8 | 69.9° | 61.7° |
| C7 | C6 | C5 | H5 | 60.8° | 62.3° |
| C7 | C6 | H61C | H62C | 120.2° | 120.1° |
| C6 | C7 | H71C | H72C | 122.4° | 120.0° |
| C6 | C7 | N3 | H3 | 169.9° | 174.1° |
| C7 | N3 | C8 | H3 | 120.2° | 124.1° |
| C7 | N3 | C8 | C9 | 62.8° | 61.7° |
| N3 | C7 | C6 | H61C | 174.9° | 179.1° |
| N3 | C7 | C6 | H62C | 54.8° | 60.8° |
| N3 | C7 | H71C | H72C | 122.4° | 120.0° |
| C7 | N3 | C8 | H81C | 57.1° | 58.3° |
| C7 | N3 | C8 | H82C | 177.4° | 178.2° |
| N3 | C8 | C9 | H81C | 119.8° | 120.0° |
| N3 | C8 | C9 | H82C | 119.8° | 120.1° |
| N3 | C8 | C9 | H91C | 69.7° | 60.7° |
| N3 | C8 | C9 | H92C | 171.1° | 179.1° |
| C8 | N3 | C7 | H71C | 49.3° | 58.3° |
| C8 | N3 | C7 | H72C | 170.9° | 178.2° |
| N3 | C8 | H81C | H82C | 120.5° | 120.0° |
| C8 | C9 | C5 | H5 | 68.5° | 62.4° |
| C8 | C9 | H91C | H92C | 118.7° | 120.2° |
| C9 | C8 | N3 | H3 | 177.0° | 174.2° |
| C9 | C8 | H81C | H82C | 120.5° | 119.9° |
| N4 | C10 | N5 | N6 | 179.9° | 179.7° |
| N4 | C10 | N5 | C11 | 179.9° | 180.0° |
| N4 | C10 | N6 | C13 | 179.9° | 179.8° |
| C10 | N5 | C11 | C12 | 0.4° | 0.0° |
| N5 | C10 | N6 | C13 | 0.1° | 0.5° |
| N5 | C10 | N4 | HA | 9.1° | 180.0° |
| C10 | N5 | C11 | H11 | 179.6° | 180.0° |
| N6 | C10 | N5 | C11 | 0.1° | 0.3° |
| C10 | N6 | C13 | C12 | 0.3° | 0.5° |
| C10 | N6 | C13 | C14 | 180.0° | 179.7° |
| N6 | C10 | N4 | HA | 170.9° | 0.3° |
| N5 | C11 | C12 | H11 | 180.0° | 180.0° |
| N5 | C11 | C12 | C13 | 0.8° | 0.0° |
| N5 | C11 | C12 | CL | 179.4° | 180.0° |
| C11 | C12 | C13 | CL | 179.7° | 179.9° |
| C11 | C12 | C13 | N6 | 0.8° | 0.3° |
| C11 | C12 | C13 | C14 | 179.5° | 180.0° |
| C12 | C13 | N6 | C14 | 179.7° | 179.7° |
| C12 | C13 | C14 | C15 | 16.4° | 136.5° |
| C12 | C13 | C14 | N8 | 164.9° | 43.9° |
| C13 | C12 | C11 | H11 | 179.1° | 180.0° |
| CL | C12 | C13 | N6 | 179.5° | 179.8° |
| CL | C12 | C13 | C14 | 0.2° | 0.1° |
| CL | C12 | C11 | H11 | 0.6° | 0.0° |
| N6 | C13 | C14 | C15 | 163.3° | 43.2° |
| N6 | C13 | C14 | N8 | 15.4° | 136.4° |
| C13 | C14 | C15 | N8 | 178.9° | 179.7° |
| C13 | C14 | C15 | N7 | 178.4° | 180.0° |
| C13 | C14 | N8 | C16 | 177.8° | 179.9° |
| C13 | C14 | N8 | C17 | 1.0° | 0.1° |
| C13 | C14 | C15 | H15 | 1.6° | 0.2° |
| C14 | C15 | N7 | H15 | 180.0° | 179.8° |
| C14 | C15 | N7 | C16 | 0.1° | 0.1° |
| C15 | C14 | N8 | C16 | 1.0° | 0.4° |
| C15 | C14 | N8 | C17 | 179.9° | 179.7° |
| N8 | C14 | C15 | N7 | 0.5° | 0.3° |
| C14 | N8 | C16 | N7 | 1.1° | 0.4° |
| C14 | N8 | C16 | C17 | 178.9° | 179.9° |
| C14 | N8 | C16 | C20 | 178.7° | 179.9° |
| C14 | N8 | C17 | C18 | 178.8° | 180.0° |
| N8 | C14 | C15 | H15 | 179.5° | 179.8° |
| C14 | N8 | C17 | H17 | 1.2° | 0.0° |
| C15 | N7 | C16 | N8 | 0.8° | 0.2° |
| C15 | N7 | C16 | C20 | 179.0° | 179.9° |
| N7 | C16 | N8 | C20 | 179.8° | 179.8° |
| N7 | C16 | N8 | C17 | 180.0° | 179.8° |
| N7 | C16 | C20 | C19 | 179.9° | 179.4° |
| C16 | N7 | C15 | H15 | 179.8° | 179.9° |
| N7 | C16 | C20 | H20 | 0.1° | 0.1° |
| C16 | N8 | C17 | C18 | 0.1° | 0.1° |
| N8 | C16 | C20 | C19 | 0.3° | 0.4° |
| N8 | C16 | C20 | H20 | 179.7° | 179.8° |
| C16 | N8 | C17 | H17 | 179.9° | 179.8° |
| C20 | C16 | N8 | C17 | 0.2° | 0.0° |
| C16 | C20 | C19 | C18 | 0.2° | 0.5° |
| C16 | C20 | C19 | H20 | 180.0° | 179.5° |
| C16 | C20 | C19 | H19 | 179.8° | 179.8° |
| N8 | C17 | C18 | H17 | 180.0° | 180.0° |
| N8 | C17 | C18 | C19 | 0.2° | 0.0° |
| N8 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.4° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.6° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C19 | C18 | C17 | H17 | 179.8° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.7° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H5 | C5 | C6 | H61C | 59.2° | 57.6° |
| H5 | C5 | C6 | H62C | 179.3° | 177.8° |
| H5 | C5 | C9 | H91C | 171.1° | 177.8° |
| H5 | C5 | C9 | H92C | 51.9° | 57.7° |
| H61C | C6 | C7 | H71C | 65.8° | 59.1° |
| H61C | C6 | C7 | H72C | 55.8° | 60.9° |
| H62C | C6 | C7 | H71C | 174.1° | 179.2° |
| H62C | C6 | C7 | H72C | 64.3° | 59.2° |
| H91C | C9 | C8 | H81C | 170.4° | 179.3° |
| H91C | C9 | C8 | H82C | 50.1° | 59.4° |
| H92C | C9 | C8 | H81C | 51.3° | 59.1° |
| H92C | C9 | C8 | H82C | 69.1° | 60.8° |
| H71C | C7 | N3 | H3 | 70.9° | 65.8° |
| H72C | C7 | N3 | H3 | 50.7° | 54.1° |
| H3 | N3 | C8 | H81C | 63.2° | 65.8° |
| H3 | N3 | C8 | H82C | 57.1° | 54.1° |
| H20 | C20 | C19 | H19 | 0.2° | 0.4° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
