7OG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C16 | doub | 1.22Å | 1.23Å | |
| C11 | C15 | sing | 1.53Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C16 | N12 | sing | 1.35Å | 1.38Å | |
| C16 | C18 | sing | 1.48Å | 1.47Å | |
| N12 | C13 | sing | 1.47Å | 1.44Å | |
| C14 | C10 | sing | 1.53Å | 1.52Å | |
| C23 | C18 | doub | 1.41Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.36Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C1 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | doub | 1.41Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.36Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.48Å | Aromatic |
| C1 | N6 | sing | 1.36Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.42Å | 1.38Å | Aromatic |
| C21 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.41Å | 1.37Å | Aromatic |
| C24 | C3 | sing | 1.51Å | 1.50Å | |
| C28 | C27 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | N4 | doub | 1.31Å | 1.30Å | Aromatic |
| N6 | N9 | sing | 1.40Å | 1.35Å | Aromatic |
| N6 | C5 | sing | 1.37Å | 1.36Å | Aromatic |
| N9 | C8 | doub | 1.31Å | 1.33Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.38Å | Aromatic |
| N4 | C5 | sing | 1.34Å | 1.35Å | Aromatic |
| C5 | N7 | doub | 1.33Å | 1.32Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | N7 | sing | 1.33Å | 1.36Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C16 | N12 | 124.3° | 120.0° |
| O17 | C16 | C18 | 115.0° | 120.0° |
| C15 | C11 | N12 | 113.1° | 108.8° |
| C11 | C15 | C14 | 109.7° | 109.3° |
| C11 | C15 | H5 | 109.4° | 109.5° |
| C11 | C15 | H6 | 109.4° | 109.6° |
| C15 | C11 | H20 | 108.5° | 109.6° |
| C15 | C11 | H21 | 108.6° | 109.6° |
| C11 | N12 | C16 | 117.1° | 120.6° |
| C11 | N12 | C13 | 116.5° | 118.7° |
| N12 | C11 | H20 | 108.6° | 109.6° |
| N12 | C11 | H21 | 108.6° | 109.6° |
| C15 | C14 | C10 | 111.0° | 109.5° |
| C14 | C15 | H5 | 109.4° | 109.4° |
| C14 | C15 | H6 | 109.4° | 109.5° |
| C15 | C14 | H18 | 109.1° | 109.5° |
| C15 | C14 | H19 | 109.1° | 109.4° |
| N12 | C16 | C18 | 120.7° | 120.0° |
| C16 | N12 | C13 | 126.1° | 120.6° |
| C16 | C18 | C23 | 115.7° | 119.7° |
| C16 | C18 | C19 | 122.4° | 119.7° |
| N12 | C13 | C10 | 107.9° | 108.8° |
| N12 | C13 | H3 | 109.9° | 109.5° |
| N12 | C13 | H4 | 109.9° | 109.6° |
| C14 | C10 | C13 | 112.2° | 109.4° |
| C14 | C10 | C1 | 112.1° | 109.5° |
| C14 | C10 | H2 | 107.2° | 109.5° |
| C10 | C14 | H18 | 109.1° | 109.5° |
| C10 | C14 | H19 | 109.1° | 109.4° |
| C18 | C23 | C22 | 118.1° | 120.8° |
| C23 | C18 | C19 | 121.9° | 120.6° |
| C18 | C23 | H15 | 121.0° | 119.6° |
| C23 | C22 | C21 | 120.9° | 120.0° |
| C23 | C22 | H7 | 119.6° | 120.0° |
| C22 | C23 | H15 | 121.0° | 119.5° |
| C18 | C19 | C20 | 119.4° | 119.4° |
| C18 | C19 | H16 | 120.3° | 120.3° |
| C13 | C10 | C1 | 110.5° | 109.5° |
| C13 | C10 | H2 | 107.2° | 109.5° |
| C10 | C13 | H3 | 109.9° | 109.6° |
| C10 | C13 | H4 | 109.9° | 109.6° |
| C10 | C1 | C2 | 126.4° | 120.5° |
| C10 | C1 | N6 | 115.2° | 120.5° |
| C1 | C10 | H2 | 107.4° | 109.5° |
| C22 | C21 | C20 | 120.4° | 119.7° |
| C22 | C21 | C28 | 120.2° | 121.0° |
| C21 | C22 | H7 | 119.5° | 120.0° |
| C19 | C20 | C21 | 119.3° | 119.5° |
| C19 | C20 | C25 | 121.0° | 121.1° |
| C20 | C19 | H16 | 120.3° | 120.3° |
| C1 | C2 | C3 | 116.5° | 119.2° |
| C2 | C1 | N6 | 118.4° | 119.0° |
| C1 | C2 | H17 | 121.7° | 120.3° |
| C2 | C3 | C24 | 117.8° | 119.8° |
| C2 | C3 | N4 | 123.8° | 120.3° |
| C3 | C2 | H17 | 121.8° | 120.4° |
| C1 | N6 | N9 | 127.0° | 133.4° |
| C1 | N6 | C5 | 122.6° | 120.3° |
| C20 | C21 | C28 | 119.4° | 119.3° |
| C21 | C20 | C25 | 119.6° | 119.4° |
| C21 | C28 | C27 | 120.9° | 119.7° |
| C21 | C28 | H12 | 119.5° | 120.2° |
| C20 | C25 | C26 | 120.9° | 119.6° |
| C20 | C25 | H14 | 119.6° | 120.2° |
| C24 | C3 | N4 | 118.5° | 119.9° |
| C3 | C24 | H8 | 109.5° | 109.5° |
| C3 | C24 | H9 | 109.5° | 109.5° |
| C3 | C24 | H10 | 109.4° | 109.5° |
| C28 | C27 | C26 | 119.5° | 121.0° |
| C27 | C28 | H12 | 119.6° | 120.1° |
| C28 | C27 | H13 | 120.3° | 119.5° |
| C3 | N4 | C5 | 117.6° | 120.8° |
| N9 | N6 | C5 | 110.5° | 106.4° |
| N6 | N9 | C8 | 102.2° | 107.1° |
| N6 | C5 | N4 | 121.2° | 120.3° |
| N6 | C5 | N7 | 109.4° | 107.2° |
| N9 | C8 | N7 | 114.7° | 109.6° |
| N9 | C8 | H1 | 122.6° | 125.2° |
| C25 | C26 | C27 | 119.7° | 121.0° |
| C25 | C26 | H11 | 120.2° | 119.5° |
| C26 | C25 | H14 | 119.5° | 120.2° |
| N4 | C5 | N7 | 129.4° | 132.5° |
| C5 | N7 | C8 | 103.2° | 109.8° |
| C27 | C26 | H11 | 120.1° | 119.5° |
| C26 | C27 | H13 | 120.3° | 119.5° |
| N7 | C8 | H1 | 122.6° | 125.2° |
| H3 | C13 | H4 | 109.5° | 109.7° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.4° |
| H8 | C24 | H10 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C16 | N12 | C11 | 1.4° | 5.8° |
| O17 | C16 | N12 | C18 | 178.6° | 180.0° |
| O17 | C16 | N12 | C13 | 172.1° | 174.1° |
| O17 | C16 | C18 | C23 | 58.6° | 41.6° |
| O17 | C16 | C18 | C19 | 120.2° | 138.1° |
| C15 | C11 | N12 | H20 | 120.5° | 119.8° |
| C15 | C11 | N12 | H21 | 120.6° | 119.8° |
| C11 | C15 | C14 | H5 | 120.0° | 119.9° |
| C11 | C15 | C14 | H6 | 120.0° | 120.1° |
| C15 | C11 | N12 | C16 | 131.4° | 126.3° |
| C15 | C11 | N12 | C13 | 54.4° | 53.6° |
| C11 | C15 | C14 | C10 | 52.2° | 61.3° |
| C11 | C15 | H5 | H6 | 119.9° | 120.1° |
| C11 | C15 | C14 | H18 | 68.1° | 178.7° |
| C11 | C15 | C14 | H19 | 172.4° | 58.7° |
| C15 | C11 | H20 | H21 | 118.3° | 120.3° |
| N12 | C11 | C15 | C14 | 50.4° | 54.6° |
| C11 | N12 | C16 | C13 | 173.6° | 180.0° |
| C11 | N12 | C16 | C18 | 177.1° | 174.2° |
| C11 | N12 | C13 | C10 | 54.8° | 53.6° |
| C11 | N12 | C13 | H3 | 174.6° | 66.2° |
| C11 | N12 | C13 | H4 | 64.9° | 173.4° |
| N12 | C11 | C15 | H5 | 170.5° | 65.2° |
| N12 | C11 | C15 | H6 | 69.6° | 174.6° |
| N12 | C11 | H20 | H21 | 118.3° | 120.4° |
| C15 | C14 | C10 | H18 | 120.2° | 120.0° |
| C15 | C14 | C10 | H19 | 120.2° | 120.0° |
| C15 | C14 | C10 | C13 | 56.7° | 61.3° |
| C15 | C14 | C10 | C1 | 178.3° | 178.7° |
| C15 | C14 | C10 | H2 | 60.7° | 58.7° |
| C14 | C15 | H5 | H6 | 119.9° | 120.1° |
| C15 | C14 | H18 | H19 | 119.3° | 119.9° |
| C14 | C15 | C11 | H20 | 171.0° | 65.2° |
| C14 | C15 | C11 | H21 | 70.1° | 174.4° |
| N12 | C16 | C18 | C23 | 122.7° | 138.4° |
| N12 | C16 | C18 | C19 | 58.5° | 41.9° |
| C16 | N12 | C13 | C10 | 131.6° | 126.4° |
| C16 | N12 | C13 | H3 | 11.8° | 113.9° |
| C16 | N12 | C13 | H4 | 108.7° | 6.6° |
| C16 | N12 | C11 | H20 | 10.9° | 113.9° |
| C16 | N12 | C11 | H21 | 108.0° | 6.6° |
| C18 | C16 | N12 | C13 | 9.3° | 5.8° |
| C16 | C18 | C23 | C19 | 178.8° | 179.7° |
| C16 | C18 | C23 | C22 | 179.4° | 180.0° |
| C16 | C18 | C19 | C20 | 178.9° | 179.8° |
| C16 | C18 | C23 | H15 | 0.6° | 0.3° |
| C16 | C18 | C19 | H16 | 1.1° | 0.1° |
| N12 | C13 | C10 | C14 | 55.3° | 54.6° |
| N12 | C13 | C10 | H3 | 119.7° | 119.7° |
| N12 | C13 | C10 | H4 | 119.8° | 119.8° |
| N12 | C13 | C10 | C1 | 178.8° | 174.6° |
| N12 | C13 | C10 | H2 | 62.1° | 65.4° |
| N12 | C13 | H3 | H4 | 120.8° | 120.4° |
| C13 | N12 | C11 | H20 | 174.9° | 66.2° |
| C13 | N12 | C11 | H21 | 66.2° | 173.4° |
| C14 | C10 | C13 | C1 | 125.9° | 120.0° |
| C14 | C10 | C13 | H2 | 117.4° | 120.0° |
| C14 | C10 | C1 | H2 | 117.5° | 120.0° |
| C14 | C10 | C1 | C2 | 24.1° | 120.0° |
| C14 | C10 | C1 | N6 | 155.5° | 60.0° |
| C14 | C10 | C13 | H3 | 175.0° | 65.1° |
| C14 | C10 | C13 | H4 | 64.5° | 174.4° |
| C10 | C14 | C15 | H5 | 172.2° | 58.6° |
| C10 | C14 | C15 | H6 | 67.8° | 178.7° |
| C10 | C14 | H18 | H19 | 119.3° | 120.0° |
| C18 | C23 | C22 | H15 | 180.0° | 179.8° |
| C18 | C23 | C22 | C21 | 0.7° | 0.0° |
| C23 | C18 | C19 | C20 | 0.2° | 0.5° |
| C18 | C23 | C22 | H7 | 179.3° | 180.0° |
| C23 | C18 | C19 | H16 | 179.8° | 179.8° |
| C22 | C23 | C18 | C19 | 0.6° | 0.3° |
| C23 | C22 | C21 | H7 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.5° | 0.0° |
| C23 | C22 | C21 | C28 | 180.0° | 179.9° |
| C18 | C19 | C20 | H16 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 0.1° | 0.5° |
| C18 | C19 | C20 | C25 | 179.8° | 179.7° |
| C19 | C18 | C23 | H15 | 179.4° | 179.9° |
| C13 | C10 | C1 | H2 | 116.6° | 120.1° |
| C13 | C10 | C1 | C2 | 101.8° | 120.0° |
| C13 | C10 | C1 | N6 | 78.6° | 59.9° |
| C10 | C13 | H3 | H4 | 120.7° | 120.4° |
| C13 | C10 | C14 | H18 | 63.5° | 178.6° |
| C13 | C10 | C14 | H19 | 176.9° | 58.7° |
| C10 | C1 | C2 | N6 | 179.6° | 179.9° |
| C10 | C1 | C2 | C3 | 179.2° | 179.8° |
| C10 | C1 | N6 | N9 | 0.3° | 0.1° |
| C10 | C1 | N6 | C5 | 179.2° | 180.0° |
| C1 | C10 | C13 | H3 | 59.1° | 54.8° |
| C1 | C10 | C13 | H4 | 61.4° | 65.6° |
| C10 | C1 | C2 | H17 | 0.8° | 0.1° |
| C1 | C10 | C14 | H18 | 61.5° | 58.6° |
| C1 | C10 | C14 | H19 | 58.1° | 61.3° |
| C22 | C21 | C20 | C19 | 0.1° | 0.2° |
| C22 | C21 | C20 | C28 | 179.6° | 179.9° |
| C22 | C21 | C20 | C25 | 179.7° | 180.0° |
| C22 | C21 | C28 | C27 | 179.8° | 180.0° |
| C22 | C21 | C28 | H12 | 0.1° | 0.1° |
| C21 | C22 | C23 | H15 | 179.3° | 179.8° |
| C19 | C20 | C21 | C25 | 179.7° | 179.8° |
| C19 | C20 | C21 | C28 | 179.6° | 179.7° |
| C19 | C20 | C25 | C26 | 179.8° | 179.7° |
| C19 | C20 | C25 | H14 | 0.2° | 0.2° |
| C1 | C2 | C3 | H17 | 180.0° | 179.9° |
| C1 | C2 | C3 | C24 | 179.8° | 180.0° |
| C1 | C2 | C3 | N4 | 0.2° | 0.0° |
| C2 | C1 | N6 | N9 | 179.9° | 180.0° |
| C2 | C1 | N6 | C5 | 0.4° | 0.0° |
| C2 | C1 | C10 | H2 | 141.5° | 0.0° |
| C3 | C2 | C1 | N6 | 0.4° | 0.1° |
| C2 | C3 | C24 | N4 | 179.9° | 180.0° |
| C2 | C3 | N4 | C5 | 0.1° | 0.2° |
| C2 | C3 | C24 | H8 | 179.9° | 90.0° |
| C2 | C3 | C24 | H9 | 59.9° | 150.0° |
| C2 | C3 | C24 | H10 | 60.1° | 30.0° |
| C1 | N6 | N9 | C5 | 179.6° | 180.0° |
| C1 | N6 | N9 | C8 | 179.9° | 179.7° |
| C1 | N6 | C5 | N4 | 0.2° | 0.2° |
| C1 | N6 | C5 | N7 | 179.9° | 180.0° |
| N6 | C1 | C10 | H2 | 38.1° | 180.0° |
| N6 | C1 | C2 | H17 | 179.6° | 180.0° |
| C20 | C21 | C28 | C27 | 0.3° | 0.1° |
| C21 | C20 | C25 | C26 | 0.1° | 0.1° |
| C20 | C21 | C22 | H7 | 179.5° | 179.9° |
| C20 | C21 | C28 | H12 | 179.7° | 180.0° |
| C21 | C20 | C25 | H14 | 179.9° | 179.9° |
| C21 | C20 | C19 | H16 | 179.9° | 179.8° |
| C28 | C21 | C20 | C25 | 0.1° | 0.1° |
| C21 | C28 | C27 | H12 | 180.0° | 179.9° |
| C21 | C28 | C27 | C26 | 0.3° | 0.0° |
| C28 | C21 | C22 | H7 | 0.0° | 0.0° |
| C21 | C28 | C27 | H13 | 179.8° | 180.0° |
| C20 | C25 | C26 | H14 | 180.0° | 179.9° |
| C20 | C25 | C26 | C27 | 0.1° | 0.0° |
| C20 | C25 | C26 | H11 | 179.8° | 179.9° |
| C25 | C20 | C19 | H16 | 0.2° | 0.0° |
| C24 | C3 | N4 | C5 | 180.0° | 179.8° |
| C3 | C24 | H8 | H9 | 120.0° | 120.0° |
| C3 | C24 | H8 | H10 | 120.0° | 120.0° |
| C3 | C24 | H9 | H10 | 120.0° | 120.0° |
| C24 | C3 | C2 | H17 | 0.2° | 0.1° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C28 | C27 | C26 | H13 | 180.0° | 180.0° |
| C28 | C27 | C26 | H11 | 180.0° | 179.9° |
| C3 | N4 | C5 | N6 | 0.0° | 0.3° |
| C3 | N4 | C5 | N7 | 179.7° | 180.0° |
| N4 | C3 | C24 | H8 | 0.0° | 90.0° |
| N4 | C3 | C24 | H9 | 120.0° | 29.9° |
| N4 | C3 | C24 | H10 | 120.0° | 149.9° |
| N4 | C3 | C2 | H17 | 179.7° | 179.9° |
| N9 | N6 | C5 | N4 | 179.8° | 179.8° |
| N9 | N6 | C5 | N7 | 0.4° | 0.0° |
| N6 | N9 | C8 | N7 | 0.2° | 0.5° |
| N6 | N9 | C8 | H1 | 179.8° | 180.0° |
| C5 | N6 | N9 | C8 | 0.4° | 0.3° |
| N6 | C5 | N4 | N7 | 179.7° | 179.7° |
| N6 | C5 | N7 | C8 | 0.3° | 0.3° |
| N9 | C8 | N7 | C5 | 0.1° | 0.5° |
| N9 | C8 | N7 | H1 | 180.0° | 179.5° |
| C25 | C26 | C27 | H11 | 180.0° | 179.9° |
| C25 | C26 | C27 | H13 | 180.0° | 180.0° |
| N4 | C5 | N7 | C8 | 180.0° | 180.0° |
| C5 | N7 | C8 | H1 | 179.9° | 180.0° |
| C26 | C27 | C28 | H12 | 179.7° | 179.9° |
| C27 | C26 | C25 | H14 | 179.9° | 179.9° |
| H2 | C10 | C13 | H3 | 57.6° | 174.9° |
| H2 | C10 | C13 | H4 | 178.1° | 54.5° |
| H2 | C10 | C14 | H18 | 179.1° | 61.4° |
| H2 | C10 | C14 | H19 | 59.5° | 178.6° |
| H5 | C15 | C14 | H18 | 52.0° | 61.5° |
| H5 | C15 | C14 | H19 | 67.6° | 178.6° |
| H5 | C15 | C11 | H20 | 69.0° | 174.9° |
| H5 | C15 | C11 | H21 | 49.9° | 54.5° |
| H6 | C15 | C14 | H18 | 171.9° | 58.6° |
| H6 | C15 | C14 | H19 | 52.4° | 61.4° |
| H6 | C15 | C11 | H20 | 51.0° | 54.8° |
| H6 | C15 | C11 | H21 | 169.9° | 65.6° |
| H7 | C22 | C23 | H15 | 0.7° | 0.3° |
| H8 | C24 | H9 | H10 | 120.0° | 120.0° |
| H11 | C26 | C27 | H13 | 0.0° | 0.1° |
| H11 | C26 | C25 | H14 | 0.1° | 0.0° |
| H12 | C28 | C27 | H13 | 0.3° | 0.1° |
