GD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C10 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | O | sing | 1.43Å | 1.43Å | |
| C3 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | N | sing | 1.46Å | 1.48Å | |
| C2 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.49Å | |
| C1 | C | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.48Å | 1.46Å | |
| O1 | C14 | sing | 1.43Å | 1.43Å | |
| O1 | C13 | sing | 1.43Å | 1.43Å | |
| N | C6 | sing | 1.38Å | 1.34Å | Aromatic |
| N | C8 | sing | 1.35Å | 1.33Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.49Å | Aromatic |
| C13 | C8 | sing | 1.51Å | 1.49Å | |
| C8 | N1 | doub | 1.31Å | 1.37Å | Aromatic |
| C7 | N1 | sing | 1.34Å | 1.34Å | Aromatic |
| C7 | I | sing | 2.10Å | 2.19Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| O | H20 | sing | 0.97Å | 0.95Å | |
| C | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C10 | C11 | 107.8° | 109.5° |
| C12 | C10 | C9 | 109.6° | 109.5° |
| C12 | C10 | O | 107.9° | 109.5° |
| C10 | C12 | H10 | 109.5° | 109.5° |
| C10 | C12 | H11 | 109.5° | 109.5° |
| C10 | C12 | H12 | 109.5° | 109.4° |
| C4 | C5 | C3 | 119.7° | 120.2° |
| C5 | C4 | C2 | 120.2° | 120.3° |
| C5 | C4 | H3 | 119.9° | 119.9° |
| C4 | C5 | H4 | 120.1° | 120.0° |
| C5 | C3 | C1 | 119.8° | 119.8° |
| C5 | C3 | H2 | 120.1° | 120.1° |
| C3 | C5 | H4 | 120.1° | 119.9° |
| C4 | C2 | C | 120.0° | 120.1° |
| C4 | C2 | H1 | 120.0° | 119.9° |
| C2 | C4 | H3 | 119.9° | 119.9° |
| C11 | C10 | C9 | 110.2° | 109.5° |
| C11 | C10 | O | 111.2° | 109.5° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C10 | C11 | H8 | 109.4° | 109.5° |
| C10 | C11 | H9 | 109.5° | 109.5° |
| C9 | C10 | O | 110.0° | 109.5° |
| C10 | C9 | N | 120.6° | 109.5° |
| C10 | C9 | H5 | 106.6° | 109.5° |
| C10 | C9 | H6 | 106.7° | 109.5° |
| C10 | O | H20 | 109.5° | 114.0° |
| C3 | C1 | C | 120.9° | 119.7° |
| C3 | C1 | C6 | 118.4° | 120.1° |
| C1 | C3 | H2 | 120.1° | 120.1° |
| C9 | N | C6 | 128.7° | 126.4° |
| C9 | N | C8 | 123.3° | 126.5° |
| N | C9 | H5 | 106.6° | 109.5° |
| N | C9 | H6 | 106.6° | 109.5° |
| C2 | C | C1 | 119.4° | 119.9° |
| C | C2 | H1 | 120.0° | 119.9° |
| C2 | C | H21 | 120.3° | 120.0° |
| C15 | C14 | O1 | 108.5° | 109.5° |
| C15 | C14 | H15 | 109.7° | 109.5° |
| C15 | C14 | H16 | 109.7° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.4° |
| C14 | C15 | H18 | 109.5° | 109.5° |
| C14 | C15 | H19 | 109.5° | 109.5° |
| C | C1 | C6 | 120.7° | 120.2° |
| C1 | C | H21 | 120.3° | 120.1° |
| C1 | C6 | N | 122.2° | 126.8° |
| C1 | C6 | C7 | 131.8° | 126.7° |
| C14 | O1 | C13 | 106.7° | 114.0° |
| O1 | C14 | H15 | 109.7° | 109.5° |
| O1 | C14 | H16 | 109.7° | 109.5° |
| O1 | C13 | C8 | 110.1° | 109.4° |
| O1 | C13 | H13 | 109.3° | 109.4° |
| O1 | C13 | H14 | 109.3° | 109.5° |
| C6 | N | C8 | 107.9° | 107.1° |
| N | C6 | C7 | 106.0° | 106.4° |
| N | C8 | C13 | 119.9° | 125.5° |
| N | C8 | N1 | 113.1° | 109.0° |
| C6 | C7 | N1 | 107.1° | 107.9° |
| C6 | C7 | I | 129.8° | 126.1° |
| C13 | C8 | N1 | 126.9° | 125.5° |
| C8 | C13 | H13 | 109.3° | 109.5° |
| C8 | C13 | H14 | 109.3° | 109.4° |
| C8 | N1 | C7 | 105.9° | 109.5° |
| N1 | C7 | I | 123.1° | 126.0° |
| H5 | C9 | H6 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.4° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H10 | C12 | H12 | 109.4° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.4° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C10 | C11 | C9 | 119.6° | 120.0° |
| C12 | C10 | C11 | O | 118.1° | 120.0° |
| C12 | C10 | C9 | O | 118.5° | 120.0° |
| C12 | C10 | C9 | N | 175.6° | 174.9° |
| C12 | C10 | C9 | H5 | 54.0° | 65.1° |
| C12 | C10 | C9 | H6 | 62.8° | 54.9° |
| C12 | C10 | C11 | H7 | 180.0° | 60.0° |
| C12 | C10 | C11 | H8 | 60.0° | 60.0° |
| C12 | C10 | C11 | H9 | 60.0° | 180.0° |
| C10 | C12 | H10 | H11 | 120.0° | 120.0° |
| C10 | C12 | H10 | H12 | 120.0° | 120.0° |
| C10 | C12 | H11 | H12 | 120.0° | 119.9° |
| C12 | C10 | O | H20 | 180.0° | 54.2° |
| C4 | C5 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C2 | H3 | 180.0° | 179.5° |
| C4 | C5 | C3 | C1 | 0.7° | 0.0° |
| C5 | C4 | C2 | C | 0.4° | 0.5° |
| C5 | C4 | C2 | H1 | 179.6° | 180.0° |
| C4 | C5 | C3 | H2 | 179.4° | 180.0° |
| C3 | C5 | C4 | C2 | 0.4° | 0.2° |
| C5 | C3 | C1 | H2 | 180.0° | 180.0° |
| C5 | C3 | C1 | C | 1.7° | 0.0° |
| C5 | C3 | C1 | C6 | 178.7° | 179.7° |
| C3 | C5 | C4 | H3 | 179.6° | 179.7° |
| C4 | C2 | C | H1 | 180.0° | 179.5° |
| C4 | C2 | C | C1 | 0.7° | 0.4° |
| C2 | C4 | C5 | H4 | 179.6° | 179.8° |
| C4 | C2 | C | H21 | 179.3° | 179.5° |
| C11 | C10 | C9 | O | 123.0° | 120.0° |
| C11 | C10 | C9 | N | 65.9° | 54.9° |
| C11 | C10 | C9 | H5 | 172.6° | 174.9° |
| C11 | C10 | C9 | H6 | 55.7° | 65.1° |
| C10 | C11 | H7 | H8 | 120.0° | 120.0° |
| C10 | C11 | H7 | H9 | 120.0° | 120.0° |
| C10 | C11 | H8 | H9 | 120.0° | 120.0° |
| C11 | C10 | C12 | H10 | 180.0° | 180.0° |
| C11 | C10 | C12 | H11 | 60.0° | 60.0° |
| C11 | C10 | C12 | H12 | 60.0° | 60.0° |
| C11 | C10 | O | H20 | 62.0° | 174.2° |
| C10 | C9 | N | H5 | 121.6° | 120.0° |
| C10 | C9 | N | H6 | 121.6° | 120.0° |
| C10 | C9 | N | C6 | 93.7° | 90.0° |
| C10 | C9 | N | C8 | 91.4° | 90.0° |
| C10 | C9 | H5 | H6 | 115.0° | 120.0° |
| C9 | C10 | C11 | H7 | 60.4° | 60.0° |
| C9 | C10 | C11 | H8 | 59.6° | 180.0° |
| C9 | C10 | C11 | H9 | 179.6° | 60.0° |
| C9 | C10 | C12 | H10 | 60.0° | 60.0° |
| C9 | C10 | C12 | H11 | 180.0° | 180.0° |
| C9 | C10 | C12 | H12 | 60.0° | 60.0° |
| C9 | C10 | O | H20 | 60.5° | 65.8° |
| O | C10 | C9 | N | 57.1° | 65.1° |
| O | C10 | C9 | H5 | 64.4° | 54.9° |
| O | C10 | C9 | H6 | 178.7° | 174.9° |
| O | C10 | C11 | H7 | 61.9° | 180.0° |
| O | C10 | C11 | H8 | 178.1° | 60.0° |
| O | C10 | C11 | H9 | 58.1° | 60.0° |
| O | C10 | C12 | H10 | 59.8° | 60.0° |
| O | C10 | C12 | H11 | 60.2° | 60.0° |
| O | C10 | C12 | H12 | 179.8° | 180.0° |
| C3 | C1 | C | C2 | 1.8° | 0.2° |
| C3 | C1 | C | C6 | 176.9° | 179.8° |
| C3 | C1 | C6 | N | 53.1° | 54.4° |
| C3 | C1 | C6 | C7 | 128.7° | 125.8° |
| C1 | C3 | C5 | H4 | 179.4° | 180.0° |
| C3 | C1 | C | H21 | 178.3° | 179.8° |
| C9 | N | C6 | C1 | 4.6° | 0.1° |
| C9 | N | C6 | C8 | 175.6° | 180.0° |
| C9 | N | C6 | C7 | 176.9° | 179.9° |
| C9 | N | C8 | C13 | 3.3° | 0.1° |
| C9 | N | C8 | N1 | 177.3° | 180.0° |
| N | C9 | H5 | H6 | 114.9° | 120.0° |
| C2 | C | C1 | H21 | 180.0° | 180.0° |
| C2 | C | C1 | C6 | 178.6° | 180.0° |
| C | C2 | C4 | H3 | 179.6° | 179.9° |
| C15 | C14 | O1 | H15 | 119.8° | 120.0° |
| C15 | C14 | O1 | H16 | 119.8° | 120.0° |
| C15 | C14 | O1 | C13 | 168.3° | 180.0° |
| C15 | C14 | H15 | H16 | 120.4° | 120.0° |
| C14 | C15 | H17 | H18 | 120.0° | 120.0° |
| C14 | C15 | H17 | H19 | 120.0° | 120.0° |
| C14 | C15 | H18 | H19 | 120.0° | 120.0° |
| C | C1 | C6 | N | 123.8° | 125.9° |
| C | C1 | C6 | C7 | 54.3° | 54.0° |
| C1 | C | C2 | H1 | 179.3° | 180.0° |
| C | C1 | C3 | H2 | 178.3° | 180.0° |
| C1 | C6 | N | C7 | 178.6° | 179.9° |
| C1 | C6 | N | C8 | 179.9° | 179.9° |
| C1 | C6 | C7 | N1 | 179.1° | 179.9° |
| C1 | C6 | C7 | I | 1.6° | 0.1° |
| C6 | C1 | C3 | H2 | 1.3° | 0.2° |
| C6 | C1 | C | H21 | 1.4° | 0.0° |
| C14 | O1 | C13 | C8 | 161.5° | 180.0° |
| C14 | O1 | C13 | H13 | 78.4° | 60.0° |
| C14 | O1 | C13 | H14 | 41.4° | 60.0° |
| O1 | C14 | H15 | H16 | 120.5° | 120.0° |
| O1 | C14 | C15 | H17 | 180.0° | 60.0° |
| O1 | C14 | C15 | H18 | 60.0° | 60.0° |
| O1 | C14 | C15 | H19 | 60.0° | 180.0° |
| O1 | C13 | C8 | N | 52.0° | 90.0° |
| O1 | C13 | C8 | H13 | 120.1° | 120.0° |
| O1 | C13 | C8 | H14 | 120.1° | 120.0° |
| O1 | C13 | C8 | N1 | 128.6° | 90.0° |
| O1 | C13 | H13 | H14 | 119.7° | 120.0° |
| C13 | O1 | C14 | H15 | 71.9° | 60.0° |
| C13 | O1 | C14 | H16 | 48.5° | 60.0° |
| C6 | N | C8 | C13 | 179.1° | 179.9° |
| C6 | N | C8 | N1 | 1.5° | 0.0° |
| N | C6 | C7 | N1 | 0.7° | 0.1° |
| N | C6 | C7 | I | 180.0° | 180.0° |
| C6 | N | C9 | H5 | 144.8° | 150.0° |
| C6 | N | C9 | H6 | 27.9° | 30.0° |
| C8 | N | C6 | C7 | 1.3° | 0.1° |
| N | C8 | C13 | N1 | 179.3° | 180.0° |
| N | C8 | N1 | C7 | 1.0° | 0.0° |
| C8 | N | C9 | H5 | 30.2° | 30.0° |
| C8 | N | C9 | H6 | 147.0° | 149.9° |
| N | C8 | C13 | H13 | 68.1° | 150.0° |
| N | C8 | C13 | H14 | 172.1° | 29.9° |
| C6 | C7 | N1 | C8 | 0.1° | 0.0° |
| C6 | C7 | N1 | I | 179.3° | 180.0° |
| C13 | C8 | N1 | C7 | 179.7° | 180.0° |
| C8 | C13 | H13 | H14 | 119.7° | 120.0° |
| C8 | N1 | C7 | I | 179.2° | 180.0° |
| N1 | C8 | C13 | H13 | 111.3° | 30.0° |
| N1 | C8 | C13 | H14 | 8.5° | 150.0° |
| H1 | C2 | C4 | H3 | 0.4° | 0.6° |
| H1 | C2 | C | H21 | 0.7° | 0.0° |
| H2 | C3 | C5 | H4 | 0.6° | 0.0° |
| H3 | C4 | C5 | H4 | 0.4° | 0.3° |
| H7 | C11 | H8 | H9 | 120.0° | 119.9° |
| H10 | C12 | H11 | H12 | 120.0° | 120.1° |
| H15 | C14 | C15 | H17 | 60.2° | 180.0° |
| H15 | C14 | C15 | H18 | 59.8° | 60.0° |
| H15 | C14 | C15 | H19 | 179.8° | 60.0° |
| H16 | C14 | C15 | H17 | 60.1° | 60.0° |
| H16 | C14 | C15 | H18 | 179.8° | 180.0° |
| H16 | C14 | C15 | H19 | 59.9° | 60.0° |
| H17 | C15 | H18 | H19 | 120.0° | 120.1° |
