6GF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C09 | sing | 1.38Å | 1.34Å | |
| C01 | O01 | sing | 1.43Å | 1.44Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| N01 | C09 | doub | 1.32Å | 1.34Å | Aromatic |
| N01 | C08 | sing | 1.33Å | 1.35Å | Aromatic |
| C09 | N03 | sing | 1.33Å | 1.34Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.38Å | |
| C02 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C08 | sing | 1.48Å | 1.40Å | |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N03 | C10 | doub | 1.33Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | N04 | sing | 1.39Å | 1.34Å | |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.40Å | |
| C19 | N06 | doub | 1.32Å | 1.34Å | Aromatic |
| N04 | C18 | sing | 1.46Å | 1.48Å | |
| N04 | C12 | sing | 1.47Å | 1.48Å | |
| C20 | N06 | sing | 1.32Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.41Å | |
| N05 | C13 | doub | 1.32Å | 1.35Å | Aromatic |
| N05 | C17 | sing | 1.32Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| N02 | H14 | sing | 0.97Å | 1.00Å | |
| N02 | H15 | sing | 0.97Å | 1.00Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C09 | N01 | 120.3° | 119.1° |
| N02 | C09 | N03 | 119.2° | 119.1° |
| C09 | N02 | H14 | 109.5° | 120.0° |
| C09 | N02 | H15 | 109.4° | 120.0° |
| C01 | O01 | C02 | 115.2° | 117.0° |
| O01 | C01 | H6 | 109.5° | 109.5° |
| O01 | C01 | H7 | 109.4° | 109.4° |
| O01 | C01 | H8 | 109.5° | 109.5° |
| C04 | C03 | C02 | 120.5° | 120.1° |
| C03 | C04 | C05 | 120.5° | 119.9° |
| C04 | C03 | H11 | 119.7° | 119.9° |
| C03 | C04 | H12 | 119.7° | 120.1° |
| C03 | C02 | O01 | 121.3° | 119.9° |
| C03 | C02 | C07 | 118.7° | 120.2° |
| C02 | C03 | H11 | 119.8° | 120.0° |
| C04 | C05 | C08 | 120.8° | 120.1° |
| C04 | C05 | C06 | 119.1° | 119.9° |
| C05 | C04 | H12 | 119.7° | 120.0° |
| C09 | N01 | C08 | 121.5° | 120.8° |
| N01 | C09 | N03 | 120.5° | 121.8° |
| N01 | C08 | C05 | 119.3° | 120.4° |
| N01 | C08 | C11 | 118.9° | 119.1° |
| C09 | N03 | C10 | 121.1° | 120.8° |
| O01 | C02 | C07 | 120.0° | 119.9° |
| C02 | C07 | C06 | 120.8° | 120.1° |
| C02 | C07 | H9 | 119.6° | 120.0° |
| C08 | C05 | C06 | 120.1° | 120.0° |
| C05 | C08 | C11 | 121.8° | 120.5° |
| C05 | C06 | C07 | 120.3° | 119.9° |
| C05 | C06 | H10 | 119.8° | 120.1° |
| C08 | C11 | C10 | 118.7° | 118.4° |
| C08 | C11 | H13 | 120.7° | 120.8° |
| N03 | C10 | C11 | 119.3° | 119.1° |
| N03 | C10 | N04 | 118.9° | 120.5° |
| C06 | C07 | H9 | 119.6° | 119.9° |
| C07 | C06 | H10 | 119.9° | 120.0° |
| C11 | C10 | N04 | 121.8° | 120.4° |
| C10 | C11 | H13 | 120.7° | 120.8° |
| C10 | N04 | C18 | 121.3° | 120.0° |
| C10 | N04 | C12 | 122.1° | 120.0° |
| C23 | C22 | C21 | 119.5° | 118.4° |
| C22 | C23 | C19 | 121.3° | 119.2° |
| C23 | C22 | H5 | 120.3° | 120.8° |
| C22 | C23 | H18 | 119.4° | 120.4° |
| C22 | C21 | C20 | 118.8° | 119.1° |
| C22 | C21 | H4 | 120.6° | 120.4° |
| C21 | C22 | H5 | 120.2° | 120.8° |
| C23 | C19 | C18 | 119.2° | 119.6° |
| C23 | C19 | N06 | 118.9° | 120.8° |
| C19 | C23 | H18 | 119.3° | 120.4° |
| C21 | C20 | N06 | 120.4° | 120.8° |
| C21 | C20 | H3 | 119.8° | 119.6° |
| C20 | C21 | H4 | 120.6° | 120.5° |
| C18 | C19 | N06 | 121.9° | 119.6° |
| C19 | C18 | N04 | 116.7° | 109.5° |
| C19 | C18 | H16 | 107.6° | 109.5° |
| C19 | C18 | H17 | 107.6° | 109.5° |
| C19 | N06 | C20 | 121.2° | 121.7° |
| C18 | N04 | C12 | 115.9° | 120.0° |
| N04 | C18 | H16 | 107.7° | 109.5° |
| N04 | C18 | H17 | 107.6° | 109.5° |
| N04 | C12 | C13 | 111.8° | 109.5° |
| N04 | C12 | H19 | 108.9° | 109.5° |
| N04 | C12 | H20 | 108.9° | 109.5° |
| N06 | C20 | H3 | 119.8° | 119.6° |
| C12 | C13 | N05 | 120.0° | 119.6° |
| C12 | C13 | C14 | 120.1° | 119.6° |
| C13 | C12 | H19 | 108.9° | 109.4° |
| C13 | C12 | H20 | 108.9° | 109.5° |
| C13 | N05 | C17 | 120.3° | 121.7° |
| N05 | C13 | C14 | 119.9° | 120.7° |
| N05 | C17 | C16 | 120.0° | 120.8° |
| N05 | C17 | H2 | 120.0° | 119.6° |
| C13 | C14 | C15 | 121.0° | 119.2° |
| C13 | C14 | H22 | 119.5° | 120.5° |
| C17 | C16 | C15 | 119.8° | 119.1° |
| C16 | C17 | H2 | 120.0° | 119.6° |
| C17 | C16 | H21 | 120.1° | 120.4° |
| C14 | C15 | C16 | 118.9° | 118.5° |
| C14 | C15 | H1 | 120.6° | 120.8° |
| C15 | C14 | H22 | 119.5° | 120.4° |
| C16 | C15 | H1 | 120.5° | 120.7° |
| C15 | C16 | H21 | 120.1° | 120.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H14 | N02 | H15 | 109.5° | 120.0° |
| H16 | C18 | H17 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C09 | N01 | N03 | 179.4° | 179.7° |
| N02 | C09 | N01 | C08 | 179.6° | 180.0° |
| N02 | C09 | N03 | C10 | 179.8° | 179.8° |
| C09 | N02 | H14 | H15 | 120.0° | 180.0° |
| C01 | O01 | C02 | C03 | 27.1° | 0.3° |
| C01 | O01 | C02 | C07 | 153.0° | 179.9° |
| O01 | C01 | H6 | H7 | 120.0° | 120.0° |
| O01 | C01 | H6 | H8 | 120.0° | 120.0° |
| O01 | C01 | H7 | H8 | 120.0° | 120.0° |
| C04 | C03 | C02 | H11 | 180.0° | 179.9° |
| C03 | C04 | C05 | H12 | 180.0° | 180.0° |
| C04 | C03 | C02 | O01 | 179.3° | 180.0° |
| C04 | C03 | C02 | C07 | 0.9° | 0.4° |
| C03 | C04 | C05 | C08 | 179.6° | 180.0° |
| C03 | C04 | C05 | C06 | 1.3° | 0.3° |
| C02 | C03 | C04 | C05 | 1.4° | 0.0° |
| C03 | C02 | O01 | C07 | 179.8° | 179.6° |
| C03 | C02 | C07 | C06 | 0.3° | 0.4° |
| C03 | C02 | C07 | H9 | 179.7° | 179.7° |
| C02 | C03 | C04 | H12 | 178.5° | 180.0° |
| C04 | C05 | C08 | N01 | 34.4° | 0.0° |
| C04 | C05 | C08 | C06 | 178.3° | 179.7° |
| C04 | C05 | C08 | C11 | 147.1° | 180.0° |
| C04 | C05 | C06 | C07 | 0.7° | 0.3° |
| C04 | C05 | C06 | H10 | 179.3° | 179.7° |
| C05 | C04 | C03 | H11 | 178.6° | 180.0° |
| C09 | N01 | C08 | C05 | 179.3° | 179.7° |
| C09 | N01 | C08 | C11 | 0.8° | 0.3° |
| N01 | C09 | N03 | C10 | 0.4° | 0.1° |
| N01 | C09 | N02 | H14 | 0.0° | 0.0° |
| N01 | C09 | N02 | H15 | 120.0° | 180.0° |
| C08 | N01 | C09 | N03 | 1.0° | 0.3° |
| N01 | C08 | C05 | C11 | 178.5° | 180.0° |
| N01 | C08 | C05 | C06 | 143.8° | 179.7° |
| N01 | C08 | C11 | C10 | 0.0° | 0.0° |
| N01 | C08 | C11 | H13 | 180.0° | 180.0° |
| C09 | N03 | C10 | C11 | 0.4° | 0.2° |
| C09 | N03 | C10 | N04 | 178.5° | 180.0° |
| N03 | C09 | N02 | H14 | 179.5° | 179.7° |
| N03 | C09 | N02 | H15 | 60.6° | 0.2° |
| O01 | C02 | C07 | C06 | 179.9° | 180.0° |
| C02 | O01 | C01 | H6 | 180.0° | 180.0° |
| C02 | O01 | C01 | H7 | 60.0° | 60.0° |
| C02 | O01 | C01 | H8 | 60.0° | 60.0° |
| O01 | C02 | C07 | H9 | 0.1° | 0.1° |
| O01 | C02 | C03 | H11 | 0.7° | 0.1° |
| C02 | C07 | C06 | C05 | 0.2° | 0.1° |
| C02 | C07 | C06 | H9 | 180.0° | 179.9° |
| C02 | C07 | C06 | H10 | 179.8° | 179.9° |
| C07 | C02 | C03 | H11 | 179.1° | 179.7° |
| C08 | C05 | C06 | C07 | 179.0° | 180.0° |
| C05 | C08 | C11 | C10 | 178.5° | 180.0° |
| C08 | C05 | C06 | H10 | 1.0° | 0.1° |
| C08 | C05 | C04 | H12 | 0.4° | 0.0° |
| C05 | C08 | C11 | H13 | 1.5° | 0.0° |
| C06 | C05 | C08 | C11 | 34.6° | 0.3° |
| C05 | C06 | C07 | H10 | 180.0° | 180.0° |
| C05 | C06 | C07 | H9 | 179.8° | 179.9° |
| C06 | C05 | C04 | H12 | 178.7° | 179.7° |
| C08 | C11 | C10 | N03 | 0.5° | 0.2° |
| C08 | C11 | C10 | H13 | 180.0° | 180.0° |
| C08 | C11 | C10 | N04 | 178.6° | 180.0° |
| N03 | C10 | C11 | N04 | 178.1° | 179.8° |
| N03 | C10 | N04 | C18 | 7.0° | 175.3° |
| N03 | C10 | N04 | C12 | 177.0° | 4.7° |
| N03 | C10 | C11 | H13 | 179.5° | 179.8° |
| C11 | C10 | N04 | C18 | 171.1° | 5.0° |
| C11 | C10 | N04 | C12 | 1.1° | 175.0° |
| C10 | N04 | C18 | C19 | 78.3° | 90.0° |
| C10 | N04 | C18 | C12 | 170.6° | 180.0° |
| C10 | N04 | C12 | C13 | 77.4° | 90.0° |
| N04 | C10 | C11 | H13 | 1.3° | 0.0° |
| C10 | N04 | C18 | H16 | 160.7° | 150.0° |
| C10 | N04 | C18 | H17 | 42.8° | 30.0° |
| C10 | N04 | C12 | H19 | 162.3° | 30.0° |
| C10 | N04 | C12 | H20 | 42.9° | 150.0° |
| C23 | C22 | C21 | H5 | 180.0° | 179.9° |
| C22 | C23 | C19 | H18 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C23 | C19 | C18 | 179.5° | 179.9° |
| C22 | C23 | C19 | N06 | 0.5° | 0.6° |
| C23 | C22 | C21 | H4 | 179.8° | 180.0° |
| C21 | C22 | C23 | C19 | 0.0° | 0.2° |
| C22 | C21 | C20 | H4 | 180.0° | 179.9° |
| C22 | C21 | C20 | N06 | 0.1° | 0.0° |
| C22 | C21 | C20 | H3 | 179.9° | 179.7° |
| C21 | C22 | C23 | H18 | 180.0° | 179.9° |
| C23 | C19 | C18 | N06 | 179.0° | 179.4° |
| C23 | C19 | C18 | N04 | 153.5° | 94.4° |
| C23 | C19 | N06 | C20 | 0.9° | 0.6° |
| C19 | C23 | C22 | H5 | 180.0° | 179.7° |
| C23 | C19 | C18 | H16 | 85.5° | 25.6° |
| C23 | C19 | C18 | H17 | 32.4° | 145.6° |
| C21 | C20 | N06 | C19 | 0.7° | 0.3° |
| C21 | C20 | N06 | H3 | 180.0° | 179.7° |
| C20 | C21 | C22 | H5 | 179.8° | 179.9° |
| C19 | C18 | N04 | H16 | 121.0° | 120.0° |
| C19 | C18 | N04 | H17 | 121.0° | 120.0° |
| C19 | C18 | N04 | C12 | 111.1° | 90.0° |
| C18 | C19 | N06 | C20 | 179.8° | 180.0° |
| C19 | C18 | H16 | H17 | 116.7° | 120.0° |
| C18 | C19 | C23 | H18 | 0.5° | 0.4° |
| N06 | C19 | C18 | N04 | 27.6° | 84.9° |
| C19 | N06 | C20 | H3 | 179.3° | 180.0° |
| N06 | C19 | C18 | H16 | 93.5° | 155.0° |
| N06 | C19 | C18 | H17 | 148.6° | 35.1° |
| N06 | C19 | C23 | H18 | 179.5° | 179.7° |
| C18 | N04 | C12 | C13 | 112.1° | 90.0° |
| N04 | C18 | H16 | H17 | 116.7° | 120.0° |
| C18 | N04 | C12 | H19 | 8.2° | 150.0° |
| C18 | N04 | C12 | H20 | 127.6° | 30.0° |
| N04 | C12 | C13 | H19 | 120.3° | 120.0° |
| N04 | C12 | C13 | H20 | 120.4° | 120.0° |
| N04 | C12 | C13 | N05 | 36.4° | 84.7° |
| N04 | C12 | C13 | C14 | 143.9° | 95.1° |
| C12 | N04 | C18 | H16 | 9.9° | 30.0° |
| C12 | N04 | C18 | H17 | 127.8° | 150.0° |
| N04 | C12 | H19 | H20 | 119.0° | 120.1° |
| N06 | C20 | C21 | H4 | 179.9° | 179.9° |
| C12 | C13 | N05 | C14 | 179.8° | 179.8° |
| C12 | C13 | N05 | C17 | 179.7° | 179.7° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | C12 | H19 | H20 | 118.9° | 120.0° |
| C12 | C13 | C14 | H22 | 0.2° | 0.1° |
| C13 | N05 | C17 | C16 | 0.2° | 0.6° |
| N05 | C13 | C14 | C15 | 0.0° | 0.2° |
| C13 | N05 | C17 | H2 | 179.8° | 179.7° |
| N05 | C13 | C12 | H19 | 84.0° | 35.2° |
| N05 | C13 | C12 | H20 | 156.7° | 155.3° |
| N05 | C13 | C14 | H22 | 180.0° | 179.7° |
| C17 | N05 | C13 | C14 | 0.1° | 0.0° |
| N05 | C17 | C16 | H2 | 180.0° | 179.2° |
| N05 | C17 | C16 | C15 | 0.3° | 0.8° |
| N05 | C17 | C16 | H21 | 179.7° | 179.2° |
| C13 | C14 | C15 | H22 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H1 | 179.9° | 180.0° |
| C14 | C13 | C12 | H19 | 95.8° | 145.0° |
| C14 | C13 | C12 | H20 | 23.5° | 25.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.5° |
| C17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C17 | C16 | C15 | H1 | 179.8° | 179.5° |
| C14 | C15 | C16 | H1 | 180.0° | 180.0° |
| C14 | C15 | C16 | H21 | 179.8° | 179.5° |
| C15 | C16 | C17 | H2 | 179.7° | 180.0° |
| C16 | C15 | C14 | H22 | 180.0° | 179.9° |
| H1 | C15 | C16 | H21 | 0.2° | 0.5° |
| H1 | C15 | C14 | H22 | 0.0° | 0.1° |
| H2 | C17 | C16 | H21 | 0.3° | 0.0° |
| H3 | C20 | C21 | H4 | 0.1° | 0.3° |
| H4 | C21 | C22 | H5 | 0.2° | 0.1° |
| H5 | C22 | C23 | H18 | 0.0° | 0.0° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C07 | C06 | H10 | 0.2° | 0.0° |
| H11 | C03 | C04 | H12 | 1.4° | 0.1° |
