6GH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N06 | sing | 1.32Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| N03 | C04 | sing | 1.38Å | 1.35Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N06 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| C04 | N02 | doub | 1.32Å | 1.34Å | Aromatic |
| C04 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.40Å | |
| C07 | N05 | doub | 1.32Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| N02 | C03 | sing | 1.33Å | 1.34Å | Aromatic |
| N01 | C01 | doub | 1.33Å | 1.35Å | Aromatic |
| N05 | C06 | sing | 1.32Å | 1.34Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | N04 | sing | 1.39Å | 1.33Å | |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | C17 | sing | 1.48Å | 1.35Å | |
| C01 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N04 | sing | 1.47Å | 1.49Å | |
| N04 | C05 | sing | 1.47Å | 1.49Å | |
| C17 | C18 | sing | 1.40Å | 1.35Å | Aromatic |
| C17 | C20 | doub | 1.34Å | 1.34Å | Aromatic |
| C18 | C19 | doub | 1.33Å | 1.34Å | Aromatic |
| C20 | S01 | sing | 1.71Å | 1.71Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.41Å | |
| C06 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | S01 | sing | 1.76Å | 1.70Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| N03 | H6 | sing | 0.97Å | 1.00Å | |
| N03 | H7 | sing | 0.97Å | 1.00Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 119.5° | 119.2° |
| C15 | C16 | N06 | 119.3° | 120.8° |
| C16 | C15 | H3 | 120.2° | 120.4° |
| C15 | C16 | H16 | 120.4° | 119.7° |
| C15 | C14 | C13 | 119.5° | 118.4° |
| C14 | C15 | H3 | 120.3° | 120.4° |
| C15 | C14 | H15 | 120.3° | 120.8° |
| C16 | N06 | C12 | 121.5° | 121.7° |
| N06 | C16 | H16 | 120.3° | 119.6° |
| C14 | C13 | C12 | 120.8° | 119.1° |
| C14 | C13 | H2 | 119.6° | 120.4° |
| C13 | C14 | H15 | 120.3° | 120.8° |
| N03 | C04 | N02 | 119.1° | 119.1° |
| N03 | C04 | N01 | 120.7° | 119.1° |
| C04 | N03 | H6 | 109.5° | 120.0° |
| C04 | N03 | H7 | 109.5° | 120.0° |
| C13 | C12 | N06 | 119.4° | 120.8° |
| C13 | C12 | C11 | 119.1° | 119.6° |
| C12 | C13 | H2 | 119.6° | 120.4° |
| N06 | C12 | C11 | 121.4° | 119.6° |
| N02 | C04 | N01 | 120.1° | 121.8° |
| C04 | N02 | C03 | 120.8° | 120.8° |
| C04 | N01 | C01 | 122.0° | 120.8° |
| C12 | C11 | N04 | 114.2° | 109.4° |
| C12 | C11 | H13 | 108.2° | 109.5° |
| C12 | C11 | H14 | 108.2° | 109.5° |
| N05 | C07 | C08 | 119.4° | 120.7° |
| C07 | N05 | C06 | 120.8° | 121.8° |
| N05 | C07 | H10 | 120.3° | 119.7° |
| C07 | C08 | C09 | 120.1° | 119.1° |
| C08 | C07 | H10 | 120.3° | 119.6° |
| C07 | C08 | H11 | 120.0° | 120.4° |
| N02 | C03 | N04 | 117.8° | 120.4° |
| N02 | C03 | C02 | 119.7° | 119.2° |
| N01 | C01 | C17 | 120.8° | 120.5° |
| N01 | C01 | C02 | 118.0° | 119.0° |
| N05 | C06 | C05 | 121.0° | 119.7° |
| N05 | C06 | C10 | 120.1° | 120.8° |
| C08 | C09 | C10 | 118.9° | 118.4° |
| C09 | C08 | H11 | 120.0° | 120.4° |
| C08 | C09 | H12 | 120.6° | 120.7° |
| N04 | C03 | C02 | 122.4° | 120.4° |
| C03 | N04 | C11 | 120.6° | 120.0° |
| C03 | N04 | C05 | 122.8° | 120.0° |
| C03 | C02 | C01 | 119.3° | 118.4° |
| C03 | C02 | H5 | 120.4° | 120.8° |
| C17 | C01 | C02 | 121.1° | 120.5° |
| C01 | C17 | C18 | 123.8° | 122.8° |
| C01 | C17 | C20 | 121.7° | 122.8° |
| C01 | C02 | H5 | 120.3° | 120.9° |
| C11 | N04 | C05 | 115.8° | 120.0° |
| N04 | C11 | H13 | 108.3° | 109.4° |
| N04 | C11 | H14 | 108.3° | 109.5° |
| N04 | C05 | C06 | 114.1° | 109.4° |
| N04 | C05 | H8 | 108.3° | 109.5° |
| N04 | C05 | H9 | 108.3° | 109.4° |
| C18 | C17 | C20 | 114.5° | 114.3° |
| C17 | C18 | C19 | 115.2° | 113.7° |
| C17 | C18 | H17 | 122.4° | 123.2° |
| C17 | C20 | S01 | 108.6° | 110.5° |
| C17 | C20 | H4 | 125.7° | 124.7° |
| C18 | C19 | S01 | 108.5° | 109.8° |
| C19 | C18 | H17 | 122.4° | 123.1° |
| C18 | C19 | H18 | 125.8° | 125.1° |
| C20 | S01 | C19 | 93.2° | 91.6° |
| S01 | C20 | H4 | 125.7° | 124.7° |
| C05 | C06 | C10 | 118.9° | 119.6° |
| C06 | C05 | H8 | 108.3° | 109.5° |
| C06 | C05 | H9 | 108.3° | 109.4° |
| C06 | C10 | C09 | 120.8° | 119.2° |
| C06 | C10 | H1 | 119.7° | 120.4° |
| S01 | C19 | H18 | 125.7° | 125.1° |
| C09 | C10 | H1 | 119.6° | 120.4° |
| C10 | C09 | H12 | 120.5° | 120.9° |
| H6 | N03 | H7 | 109.5° | 120.0° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H3 | 180.0° | 179.3° |
| C15 | C16 | N06 | H16 | 180.0° | 179.2° |
| C16 | C15 | C14 | C13 | 0.1° | 0.5° |
| C15 | C16 | N06 | C12 | 0.9° | 0.5° |
| C16 | C15 | C14 | H15 | 179.9° | 179.5° |
| C14 | C15 | C16 | N06 | 0.3° | 0.8° |
| C15 | C14 | C13 | H15 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C15 | C14 | C13 | H2 | 179.6° | 179.7° |
| C14 | C15 | C16 | H16 | 179.6° | 180.0° |
| C16 | N06 | C12 | C13 | 1.1° | 0.0° |
| C16 | N06 | C12 | C11 | 179.9° | 180.0° |
| N06 | C16 | C15 | H3 | 179.7° | 180.0° |
| C14 | C13 | C12 | H2 | 180.0° | 179.8° |
| C14 | C13 | C12 | N06 | 0.9° | 0.2° |
| C14 | C13 | C12 | C11 | 179.7° | 179.8° |
| C13 | C14 | C15 | H3 | 179.9° | 179.8° |
| N03 | C04 | N02 | N01 | 179.6° | 179.9° |
| N03 | C04 | N02 | C03 | 179.4° | 180.0° |
| N03 | C04 | N01 | C01 | 179.0° | 180.0° |
| C04 | N03 | H6 | H7 | 120.0° | 180.0° |
| C13 | C12 | N06 | C11 | 178.7° | 180.0° |
| C13 | C12 | C11 | N04 | 158.6° | 95.0° |
| C13 | C12 | C11 | H13 | 80.7° | 24.9° |
| C13 | C12 | C11 | H14 | 37.8° | 145.0° |
| C12 | C13 | C14 | H15 | 179.6° | 180.0° |
| N06 | C12 | C11 | N04 | 22.7° | 85.0° |
| N06 | C12 | C13 | H2 | 179.1° | 180.0° |
| N06 | C12 | C11 | H13 | 98.0° | 155.1° |
| N06 | C12 | C11 | H14 | 143.4° | 35.0° |
| C12 | N06 | C16 | H16 | 179.1° | 179.7° |
| N02 | C04 | N01 | C01 | 0.7° | 0.1° |
| C04 | N02 | C03 | N04 | 179.4° | 180.0° |
| C04 | N02 | C03 | C02 | 0.4° | 0.1° |
| N02 | C04 | N03 | H6 | 0.0° | 0.0° |
| N02 | C04 | N03 | H7 | 120.0° | 180.0° |
| N01 | C04 | N02 | C03 | 0.3° | 0.1° |
| C04 | N01 | C01 | C17 | 179.1° | 180.0° |
| C04 | N01 | C01 | C02 | 1.2° | 0.0° |
| N01 | C04 | N03 | H6 | 179.6° | 179.9° |
| N01 | C04 | N03 | H7 | 59.6° | 0.0° |
| C12 | C11 | N04 | C03 | 87.0° | 89.9° |
| C12 | C11 | N04 | H13 | 120.7° | 120.0° |
| C12 | C11 | N04 | H14 | 120.7° | 120.0° |
| C12 | C11 | N04 | C05 | 102.6° | 90.0° |
| C11 | C12 | C13 | H2 | 0.3° | 0.0° |
| C12 | C11 | H13 | H14 | 117.8° | 120.0° |
| N05 | C07 | C08 | H10 | 180.0° | 180.0° |
| N05 | C07 | C08 | C09 | 0.6° | 0.3° |
| C07 | N05 | C06 | C05 | 179.9° | 180.0° |
| C07 | N05 | C06 | C10 | 1.0° | 0.0° |
| N05 | C07 | C08 | H11 | 179.4° | 180.0° |
| C08 | C07 | N05 | C06 | 0.9° | 0.0° |
| C07 | C08 | C09 | H11 | 180.0° | 179.8° |
| C07 | C08 | C09 | C10 | 0.3° | 0.5° |
| C07 | C08 | C09 | H12 | 179.7° | 180.0° |
| N02 | C03 | N04 | C02 | 178.9° | 179.9° |
| N02 | C03 | C02 | C01 | 0.9° | 0.0° |
| N02 | C03 | N04 | C11 | 8.9° | 5.0° |
| N02 | C03 | N04 | C05 | 178.7° | 175.0° |
| N02 | C03 | C02 | H5 | 179.1° | 179.9° |
| N01 | C01 | C02 | C03 | 1.3° | 0.0° |
| N01 | C01 | C17 | C02 | 177.9° | 180.0° |
| N01 | C01 | C17 | C18 | 143.0° | 0.0° |
| N01 | C01 | C17 | C20 | 38.2° | 179.7° |
| N01 | C01 | C02 | H5 | 178.7° | 180.0° |
| N05 | C06 | C05 | N04 | 45.1° | 85.0° |
| N05 | C06 | C05 | C10 | 178.9° | 179.9° |
| N05 | C06 | C10 | C09 | 0.7° | 0.3° |
| N05 | C06 | C10 | H1 | 179.3° | 180.0° |
| N05 | C06 | C05 | H8 | 75.6° | 155.0° |
| N05 | C06 | C05 | H9 | 165.8° | 34.9° |
| C06 | N05 | C07 | H10 | 179.1° | 180.0° |
| C08 | C09 | C10 | C06 | 0.3° | 0.5° |
| C08 | C09 | C10 | H12 | 180.0° | 179.5° |
| C08 | C09 | C10 | H1 | 179.7° | 179.8° |
| C09 | C08 | C07 | H10 | 179.4° | 179.8° |
| N04 | C03 | C02 | C01 | 179.8° | 180.0° |
| C03 | N04 | C11 | C05 | 170.5° | 179.9° |
| C03 | N04 | C05 | C06 | 69.5° | 90.0° |
| N04 | C03 | C02 | H5 | 0.2° | 0.0° |
| C03 | N04 | C05 | H8 | 169.8° | 149.9° |
| C03 | N04 | C05 | H9 | 51.1° | 29.9° |
| C03 | N04 | C11 | H13 | 152.3° | 150.1° |
| C03 | N04 | C11 | H14 | 33.7° | 30.0° |
| C03 | C02 | C01 | C17 | 179.2° | 180.0° |
| C03 | C02 | C01 | H5 | 180.0° | 180.0° |
| C02 | C03 | N04 | C11 | 170.0° | 175.0° |
| C02 | C03 | N04 | C05 | 0.2° | 4.9° |
| C01 | C17 | C18 | C20 | 178.9° | 179.7° |
| C01 | C17 | C18 | C19 | 179.7° | 179.8° |
| C01 | C17 | C20 | S01 | 179.4° | 179.7° |
| C01 | C17 | C20 | H4 | 0.6° | 0.2° |
| C17 | C01 | C02 | H5 | 0.8° | 0.0° |
| C01 | C17 | C18 | H17 | 0.3° | 0.3° |
| C02 | C01 | C17 | C18 | 39.1° | 180.0° |
| C02 | C01 | C17 | C20 | 139.7° | 0.3° |
| C11 | N04 | C05 | C06 | 120.2° | 90.1° |
| C11 | N04 | C05 | H8 | 0.5° | 30.0° |
| C11 | N04 | C05 | H9 | 119.1° | 150.0° |
| N04 | C11 | H13 | H14 | 117.9° | 120.0° |
| N04 | C05 | C06 | H8 | 120.7° | 120.0° |
| N04 | C05 | C06 | H9 | 120.6° | 119.9° |
| N04 | C05 | C06 | C10 | 136.0° | 95.1° |
| N04 | C05 | H8 | H9 | 117.9° | 120.0° |
| C05 | N04 | C11 | H13 | 18.1° | 30.0° |
| C05 | N04 | C11 | H14 | 136.7° | 150.0° |
| C17 | C18 | C19 | H17 | 180.0° | 179.9° |
| C18 | C17 | C20 | S01 | 0.6° | 0.0° |
| C17 | C18 | C19 | S01 | 0.8° | 0.0° |
| C18 | C17 | C20 | H4 | 179.4° | 180.0° |
| C17 | C18 | C19 | H18 | 179.2° | 180.0° |
| C20 | C17 | C18 | C19 | 0.9° | 0.0° |
| C17 | C20 | S01 | H4 | 180.0° | 180.0° |
| C17 | C20 | S01 | C19 | 0.1° | 0.0° |
| C20 | C17 | C18 | H17 | 179.2° | 179.9° |
| C18 | C19 | S01 | C20 | 0.4° | 0.0° |
| C18 | C19 | S01 | H18 | 180.0° | 180.0° |
| C20 | S01 | C19 | H18 | 179.6° | 180.0° |
| C05 | C06 | C10 | C09 | 179.6° | 179.8° |
| C05 | C06 | C10 | H1 | 0.4° | 0.1° |
| C06 | C05 | H8 | H9 | 117.9° | 120.0° |
| C06 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C06 | C05 | H8 | 103.3° | 25.0° |
| C10 | C06 | C05 | H9 | 15.3° | 145.0° |
| C06 | C10 | C09 | H12 | 179.7° | 180.0° |
| C19 | S01 | C20 | H4 | 179.9° | 180.0° |
| S01 | C19 | C18 | H17 | 179.3° | 179.9° |
| C10 | C09 | C08 | H11 | 179.7° | 179.8° |
| H1 | C10 | C09 | H12 | 0.3° | 0.3° |
| H2 | C13 | C14 | H15 | 0.4° | 0.2° |
| H3 | C15 | C14 | H15 | 0.1° | 0.3° |
| H3 | C15 | C16 | H16 | 0.3° | 0.7° |
| H10 | C07 | C08 | H11 | 0.5° | 0.0° |
| H11 | C08 | C09 | H12 | 0.3° | 0.2° |
| H17 | C18 | C19 | H18 | 0.7° | 0.1° |
