3GF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.42Å | 1.48Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C10 | sing | 1.41Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C8 | C11 | sing | 1.48Å | 1.48Å | |
| N12 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| N12 | N13 | sing | 1.28Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| N13 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| C20 | N21 | sing | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.49Å | |
| C16 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | N18 | sing | 1.39Å | 1.42Å | |
| N21 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | N18 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| N18 | C28 | sing | 1.47Å | 1.48Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | N26 | sing | 1.47Å | 1.46Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| N26 | C27 | sing | 1.47Å | 1.47Å | |
| N26 | C29 | sing | 1.47Å | 1.47Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C27 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| C4 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.08Å | 1.08Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C10 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 120.8° | 120.9° |
| C4 | C3 | C2 | 121.2° | 121.0° |
| C3 | C4 | H20 | 119.6° | 119.5° |
| C4 | C3 | H21 | 119.4° | 119.5° |
| C4 | C5 | C6 | 120.0° | 119.7° |
| C4 | C5 | H19 | 120.0° | 120.1° |
| C5 | C4 | H20 | 119.6° | 119.6° |
| C3 | C2 | C1 | 119.8° | 119.7° |
| C2 | C3 | H21 | 119.4° | 119.5° |
| C3 | C2 | H22 | 120.1° | 120.2° |
| C5 | C6 | C1 | 119.0° | 119.4° |
| C5 | C6 | C7 | 121.4° | 121.2° |
| C6 | C5 | H19 | 120.0° | 120.2° |
| C2 | C1 | C6 | 119.1° | 119.3° |
| C2 | C1 | C10 | 121.7° | 121.1° |
| C1 | C2 | H22 | 120.1° | 120.1° |
| C1 | C6 | C7 | 119.6° | 119.5° |
| C6 | C1 | C10 | 119.2° | 119.6° |
| C6 | C7 | C8 | 119.8° | 119.5° |
| C6 | C7 | H18 | 120.1° | 120.3° |
| C1 | C10 | C9 | 119.3° | 120.0° |
| C1 | C10 | H23 | 120.3° | 120.0° |
| C7 | C8 | C9 | 120.8° | 120.5° |
| C7 | C8 | C11 | 117.8° | 119.7° |
| C8 | C7 | H18 | 120.1° | 120.3° |
| C10 | C9 | C8 | 121.4° | 120.9° |
| C9 | C10 | H23 | 120.4° | 120.0° |
| C10 | C9 | H24 | 119.3° | 119.6° |
| C9 | C8 | C11 | 121.4° | 119.8° |
| C8 | C9 | H24 | 119.3° | 119.5° |
| C8 | C11 | N12 | 116.8° | 120.2° |
| C8 | C11 | C16 | 124.2° | 120.2° |
| C11 | N12 | N13 | 120.8° | 122.3° |
| N12 | C11 | C16 | 119.0° | 119.6° |
| N12 | N13 | C14 | 122.8° | 122.4° |
| C11 | C16 | C17 | 124.5° | 121.1° |
| C11 | C16 | C15 | 119.6° | 117.7° |
| C20 | C19 | C17 | 119.5° | 119.0° |
| C19 | C20 | N21 | 120.5° | 120.9° |
| C20 | C19 | H14 | 120.2° | 120.5° |
| C19 | C20 | H15 | 119.8° | 119.5° |
| C19 | C17 | C16 | 119.9° | 120.9° |
| C19 | C17 | C23 | 118.7° | 118.2° |
| C17 | C19 | H14 | 120.2° | 120.5° |
| N13 | C14 | C15 | 117.5° | 120.1° |
| N13 | C14 | N18 | 119.1° | 119.9° |
| C20 | N21 | C22 | 121.2° | 122.0° |
| N21 | C20 | H15 | 119.8° | 119.6° |
| C17 | C16 | C15 | 115.8° | 121.1° |
| C16 | C17 | C23 | 121.1° | 120.9° |
| C16 | C15 | C14 | 120.3° | 117.9° |
| C16 | C15 | H13 | 119.8° | 121.0° |
| C17 | C23 | C22 | 119.3° | 119.0° |
| C17 | C23 | H17 | 120.3° | 120.5° |
| C15 | C14 | N18 | 123.3° | 120.0° |
| C14 | C15 | H13 | 119.9° | 121.1° |
| C14 | N18 | C24 | 118.7° | 111.0° |
| C14 | N18 | C28 | 118.3° | 111.1° |
| N21 | C22 | C23 | 120.6° | 120.9° |
| N21 | C22 | H16 | 119.7° | 119.5° |
| N18 | C24 | C25 | 109.0° | 109.4° |
| C24 | N18 | C28 | 122.9° | 110.9° |
| N18 | C24 | H9 | 109.6° | 109.5° |
| N18 | C24 | H10 | 109.6° | 109.5° |
| C24 | C25 | N26 | 110.3° | 109.4° |
| C25 | C24 | H9 | 109.6° | 109.5° |
| C25 | C24 | H10 | 109.6° | 109.5° |
| C24 | C25 | H11 | 109.3° | 109.5° |
| C24 | C25 | H12 | 109.3° | 109.5° |
| N18 | C28 | C27 | 113.8° | 109.4° |
| N18 | C28 | H7 | 108.4° | 109.5° |
| N18 | C28 | H8 | 108.4° | 109.5° |
| C23 | C22 | H16 | 119.7° | 119.6° |
| C22 | C23 | H17 | 120.3° | 120.4° |
| C25 | N26 | C27 | 109.3° | 110.9° |
| C25 | N26 | C29 | 109.3° | 111.0° |
| N26 | C25 | H11 | 109.3° | 109.5° |
| N26 | C25 | H12 | 109.3° | 109.5° |
| C28 | C27 | N26 | 114.1° | 109.4° |
| C28 | C27 | H5 | 108.3° | 109.5° |
| C28 | C27 | H6 | 108.3° | 109.5° |
| C27 | C28 | H7 | 108.4° | 109.5° |
| C27 | C28 | H8 | 108.4° | 109.5° |
| C27 | N26 | C29 | 106.1° | 111.0° |
| N26 | C27 | H5 | 108.3° | 109.5° |
| N26 | C27 | H6 | 108.3° | 109.5° |
| N26 | C29 | H1 | 109.5° | 109.5° |
| N26 | C29 | H2 | 109.5° | 109.4° |
| N26 | C29 | H3 | 109.5° | 109.5° |
| H1 | C29 | H2 | 109.5° | 109.5° |
| H1 | C29 | H3 | 109.5° | 109.5° |
| H2 | C29 | H3 | 109.5° | 109.4° |
| H5 | C27 | H6 | 109.5° | 109.5° |
| H7 | C28 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H20 | 180.0° | 180.0° |
| C4 | C3 | C2 | H21 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C3 | C4 | C5 | H19 | 180.0° | 180.0° |
| C4 | C3 | C2 | H22 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C6 | H19 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C4 | C5 | C6 | C7 | 178.8° | 180.0° |
| C5 | C4 | C3 | H21 | 179.8° | 180.0° |
| C3 | C2 | C1 | H22 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.6° | 0.0° |
| C3 | C2 | C1 | C10 | 179.6° | 180.0° |
| C2 | C3 | C4 | H20 | 179.8° | 180.0° |
| C5 | C6 | C1 | C2 | 0.3° | 0.0° |
| C5 | C6 | C1 | C7 | 178.8° | 180.0° |
| C5 | C6 | C1 | C10 | 179.9° | 180.0° |
| C5 | C6 | C7 | C8 | 179.2° | 180.0° |
| C5 | C6 | C7 | H18 | 0.8° | 0.1° |
| C6 | C5 | C4 | H20 | 180.0° | 180.0° |
| C2 | C1 | C6 | C10 | 179.8° | 180.0° |
| C2 | C1 | C6 | C7 | 179.1° | 180.0° |
| C2 | C1 | C10 | C9 | 179.4° | 180.0° |
| C1 | C2 | C3 | H21 | 179.5° | 180.0° |
| C2 | C1 | C10 | H23 | 0.6° | 0.0° |
| C1 | C6 | C7 | C8 | 0.5° | 0.0° |
| C6 | C1 | C10 | C9 | 0.8° | 0.1° |
| C1 | C6 | C7 | H18 | 179.5° | 180.0° |
| C1 | C6 | C5 | H19 | 180.0° | 180.0° |
| C6 | C1 | C2 | H22 | 179.4° | 179.9° |
| C6 | C1 | C10 | H23 | 179.1° | 180.0° |
| C7 | C6 | C1 | C10 | 1.1° | 0.0° |
| C6 | C7 | C8 | H18 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C6 | C7 | C8 | C11 | 179.7° | 179.7° |
| C7 | C6 | C5 | H19 | 1.2° | 0.0° |
| C1 | C10 | C9 | H23 | 180.0° | 180.0° |
| C1 | C10 | C9 | C8 | 0.1° | 0.1° |
| C10 | C1 | C2 | H22 | 0.3° | 0.0° |
| C1 | C10 | C9 | H24 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.7° | 0.0° |
| C7 | C8 | C9 | C11 | 179.2° | 179.8° |
| C7 | C8 | C11 | N12 | 56.0° | 34.8° |
| C7 | C8 | C11 | C16 | 122.9° | 145.3° |
| C7 | C8 | C9 | H24 | 179.3° | 179.8° |
| C10 | C9 | C8 | H24 | 180.0° | 179.8° |
| C10 | C9 | C8 | C11 | 179.9° | 179.8° |
| C9 | C8 | C11 | N12 | 123.2° | 145.0° |
| C9 | C8 | C11 | C16 | 57.8° | 35.0° |
| C9 | C8 | C7 | H18 | 179.6° | 179.9° |
| C8 | C9 | C10 | H23 | 180.0° | 180.0° |
| C8 | C11 | N12 | C16 | 179.0° | 179.9° |
| C8 | C11 | N12 | N13 | 179.0° | 179.7° |
| C8 | C11 | C16 | C17 | 2.1° | 0.1° |
| C8 | C11 | C16 | C15 | 178.6° | 180.0° |
| C11 | C8 | C7 | H18 | 0.3° | 0.3° |
| C11 | C8 | C9 | H24 | 0.1° | 0.0° |
| C11 | N12 | N13 | C14 | 0.8° | 0.7° |
| N12 | C11 | C16 | C17 | 176.9° | 180.0° |
| N12 | C11 | C16 | C15 | 0.3° | 0.0° |
| N13 | N12 | C11 | C16 | 0.0° | 0.4° |
| N12 | N13 | C14 | C15 | 1.8° | 0.6° |
| N12 | N13 | C14 | N18 | 179.7° | 179.7° |
| C11 | C16 | C17 | C19 | 49.4° | 49.7° |
| C11 | C16 | C17 | C15 | 176.7° | 180.0° |
| C11 | C16 | C17 | C23 | 136.2° | 130.0° |
| C11 | C16 | C15 | C14 | 1.4° | 0.0° |
| C11 | C16 | C15 | H13 | 178.6° | 180.0° |
| C20 | C19 | C17 | H14 | 180.0° | 180.0° |
| C19 | C20 | N21 | H15 | 180.0° | 179.9° |
| C20 | C19 | C17 | C16 | 177.2° | 180.0° |
| C20 | C19 | C17 | C23 | 2.7° | 0.3° |
| C19 | C20 | N21 | C22 | 1.6° | 0.1° |
| C17 | C19 | C20 | N21 | 1.7° | 0.0° |
| C19 | C17 | C16 | C23 | 174.4° | 179.7° |
| C19 | C17 | C16 | C15 | 127.2° | 130.3° |
| C19 | C17 | C23 | C22 | 3.6° | 0.5° |
| C17 | C19 | C20 | H15 | 178.3° | 179.9° |
| C19 | C17 | C23 | H17 | 176.4° | 179.7° |
| N13 | C14 | C15 | C16 | 2.1° | 0.3° |
| N13 | C14 | C15 | N18 | 177.8° | 179.7° |
| N13 | C14 | N18 | C24 | 10.4° | 123.5° |
| N13 | C14 | N18 | C28 | 173.3° | 0.3° |
| N13 | C14 | C15 | H13 | 177.9° | 179.7° |
| C20 | N21 | C22 | C23 | 2.5° | 0.3° |
| N21 | C20 | C19 | H14 | 178.3° | 180.0° |
| C20 | N21 | C22 | H16 | 177.5° | 179.9° |
| C17 | C16 | C15 | C14 | 178.3° | 180.0° |
| C16 | C17 | C23 | C22 | 178.0° | 179.8° |
| C17 | C16 | C15 | H13 | 1.7° | 0.0° |
| C16 | C17 | C19 | H14 | 2.8° | 0.0° |
| C16 | C17 | C23 | H17 | 2.0° | 0.0° |
| C15 | C16 | C17 | C23 | 47.2° | 50.0° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | N18 | 179.9° | 180.0° |
| C17 | C23 | C22 | N21 | 3.5° | 0.5° |
| C17 | C23 | C22 | H17 | 180.0° | 179.8° |
| C23 | C17 | C19 | H14 | 177.3° | 179.8° |
| C17 | C23 | C22 | H16 | 176.5° | 179.7° |
| C15 | C14 | N18 | C24 | 167.4° | 56.2° |
| C15 | C14 | N18 | C28 | 8.9° | 180.0° |
| C14 | N18 | C24 | C28 | 176.1° | 123.9° |
| C14 | N18 | C24 | C25 | 150.2° | 176.8° |
| C14 | N18 | C28 | C27 | 161.7° | 176.8° |
| C14 | N18 | C28 | H7 | 41.1° | 63.2° |
| C14 | N18 | C28 | H8 | 77.7° | 56.8° |
| C14 | N18 | C24 | H9 | 89.9° | 63.3° |
| C14 | N18 | C24 | H10 | 30.2° | 56.8° |
| N18 | C14 | C15 | H13 | 0.1° | 0.0° |
| N21 | C22 | C23 | H16 | 180.0° | 179.8° |
| C22 | N21 | C20 | H15 | 178.5° | 180.0° |
| N21 | C22 | C23 | H17 | 176.5° | 179.7° |
| N18 | C24 | C25 | H9 | 119.9° | 119.9° |
| N18 | C24 | C25 | H10 | 119.9° | 120.0° |
| N18 | C24 | C25 | N26 | 55.5° | 58.4° |
| C24 | N18 | C28 | C27 | 22.1° | 59.3° |
| C24 | N18 | C28 | H7 | 142.8° | 60.7° |
| C24 | N18 | C28 | H8 | 98.5° | 179.3° |
| N18 | C24 | H9 | H10 | 120.2° | 120.1° |
| N18 | C24 | C25 | H11 | 175.7° | 61.6° |
| N18 | C24 | C25 | H12 | 64.6° | 178.4° |
| C25 | C24 | N18 | C28 | 33.7° | 59.3° |
| C24 | C25 | N26 | H11 | 120.1° | 120.0° |
| C24 | C25 | N26 | H12 | 120.1° | 120.0° |
| C24 | C25 | N26 | C27 | 68.2° | 59.3° |
| C24 | C25 | N26 | C29 | 176.1° | 176.8° |
| C25 | C24 | H9 | H10 | 120.2° | 120.1° |
| C24 | C25 | H11 | H12 | 119.6° | 120.0° |
| N18 | C28 | C27 | H7 | 120.6° | 119.9° |
| N18 | C28 | C27 | H8 | 120.6° | 120.0° |
| N18 | C28 | C27 | N26 | 31.3° | 58.4° |
| N18 | C28 | C27 | H5 | 89.4° | 178.3° |
| N18 | C28 | C27 | H6 | 152.0° | 61.6° |
| N18 | C28 | H7 | H8 | 118.1° | 120.1° |
| C28 | N18 | C24 | H9 | 86.3° | 60.7° |
| C28 | N18 | C24 | H10 | 153.6° | 179.3° |
| C25 | N26 | C27 | C28 | 55.0° | 59.3° |
| C25 | N26 | C27 | C29 | 117.7° | 123.9° |
| C25 | N26 | C29 | H1 | 180.0° | 176.2° |
| C25 | N26 | C29 | H2 | 60.0° | 56.2° |
| C25 | N26 | C29 | H3 | 60.0° | 63.8° |
| C25 | N26 | C27 | H5 | 65.7° | 179.3° |
| C25 | N26 | C27 | H6 | 175.7° | 60.7° |
| N26 | C25 | C24 | H9 | 64.4° | 61.6° |
| N26 | C25 | C24 | H10 | 175.5° | 178.3° |
| N26 | C25 | H11 | H12 | 119.6° | 120.1° |
| C28 | C27 | N26 | H5 | 120.7° | 120.0° |
| C28 | C27 | N26 | H6 | 120.7° | 120.0° |
| C28 | C27 | N26 | C29 | 172.7° | 176.8° |
| C28 | C27 | H5 | H6 | 117.9° | 120.1° |
| C27 | C28 | H7 | H8 | 118.0° | 120.0° |
| C27 | N26 | C29 | H1 | 62.3° | 60.0° |
| C27 | N26 | C29 | H2 | 177.7° | 180.0° |
| C27 | N26 | C29 | H3 | 57.7° | 60.0° |
| N26 | C27 | H5 | H6 | 117.9° | 120.0° |
| N26 | C27 | C28 | H7 | 151.9° | 61.6° |
| N26 | C27 | C28 | H8 | 89.4° | 178.4° |
| C27 | N26 | C25 | H11 | 171.6° | 60.7° |
| C27 | N26 | C25 | H12 | 51.9° | 179.3° |
| N26 | C29 | H1 | H2 | 120.0° | 120.0° |
| N26 | C29 | H1 | H3 | 120.0° | 120.1° |
| N26 | C29 | H2 | H3 | 120.0° | 120.0° |
| C29 | N26 | C27 | H5 | 52.0° | 56.8° |
| C29 | N26 | C27 | H6 | 66.6° | 63.2° |
| C29 | N26 | C25 | H11 | 56.0° | 63.2° |
| C29 | N26 | C25 | H12 | 63.8° | 56.8° |
| H1 | C29 | H2 | H3 | 120.0° | 120.0° |
| H5 | C27 | C28 | H7 | 31.2° | 58.4° |
| H5 | C27 | C28 | H8 | 150.0° | 61.6° |
| H6 | C27 | C28 | H7 | 87.4° | 178.5° |
| H6 | C27 | C28 | H8 | 31.3° | 58.4° |
| H9 | C24 | C25 | H11 | 55.7° | 178.4° |
| H9 | C24 | C25 | H12 | 175.5° | 58.5° |
| H10 | C24 | C25 | H11 | 64.4° | 58.3° |
| H10 | C24 | C25 | H12 | 55.3° | 61.6° |
| H14 | C19 | C20 | H15 | 1.7° | 0.1° |
| H16 | C22 | C23 | H17 | 3.5° | 0.1° |
| H19 | C5 | C4 | H20 | 0.0° | 0.0° |
| H20 | C4 | C3 | H21 | 0.2° | 0.0° |
| H21 | C3 | C2 | H22 | 0.5° | 0.0° |
| H23 | C10 | C9 | H24 | 0.0° | 0.2° |
