OG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C4 | sing | 1.37Å | 1.46Å | |
| N1 | C4 | doub | 1.31Å | 1.29Å | |
| N1 | C1 | sing | 1.34Å | 1.36Å | |
| C4 | N2 | sing | 1.36Å | 1.38Å | |
| N3 | C1 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| O2 | C14 | doub | 1.22Å | 1.23Å | |
| N2 | C3 | sing | 1.35Å | 1.37Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.34Å | 1.39Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.46Å | |
| C2 | C5 | sing | 1.46Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| O3 | C23 | doub | 1.21Å | 1.36Å | |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| C14 | C11 | sing | 1.48Å | 1.50Å | |
| C14 | N5 | sing | 1.35Å | 1.34Å | |
| C5 | C7 | sing | 1.51Å | 1.50Å | |
| C21 | C16 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | O4 | sing | 1.34Å | 1.22Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | C15 | sing | 1.40Å | 1.46Å | |
| C15 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C4 | N1 | 121.6° | 118.9° |
| N4 | C4 | N2 | 117.3° | 118.9° |
| C4 | N4 | H18 | 120.0° | 120.0° |
| C4 | N4 | H19 | 120.0° | 120.0° |
| C4 | N1 | C1 | 115.9° | 121.2° |
| N1 | C4 | N2 | 121.0° | 122.1° |
| N1 | C1 | N3 | 125.3° | 133.6° |
| N1 | C1 | C2 | 126.1° | 119.1° |
| C4 | N2 | C3 | 128.1° | 120.2° |
| C4 | N2 | H16 | 116.0° | 119.9° |
| C1 | N3 | C6 | 108.9° | 110.1° |
| N3 | C1 | C2 | 108.6° | 107.3° |
| C1 | N3 | H17 | 125.6° | 125.0° |
| N3 | C6 | C5 | 108.1° | 109.6° |
| N3 | C6 | H12 | 126.0° | 125.2° |
| C6 | N3 | H17 | 125.6° | 124.9° |
| C1 | C2 | C3 | 118.4° | 119.1° |
| C1 | C2 | C5 | 107.1° | 106.3° |
| O2 | C14 | C11 | 124.9° | 120.0° |
| O2 | C14 | N5 | 123.4° | 119.9° |
| N2 | C3 | C2 | 110.5° | 118.2° |
| N2 | C3 | O1 | 120.7° | 120.9° |
| C3 | N2 | H16 | 115.9° | 120.0° |
| C13 | C12 | C11 | 119.9° | 119.8° |
| C12 | C13 | C8 | 120.0° | 120.2° |
| C13 | C12 | H2 | 120.0° | 120.0° |
| C12 | C13 | H3 | 120.0° | 119.9° |
| C12 | C11 | C14 | 120.5° | 120.1° |
| C12 | C11 | C10 | 120.1° | 119.8° |
| C11 | C12 | H2 | 120.1° | 120.1° |
| C6 | C5 | C2 | 107.3° | 106.7° |
| C6 | C5 | C7 | 126.3° | 126.7° |
| C5 | C6 | H12 | 125.9° | 125.2° |
| C13 | C8 | C7 | 120.7° | 119.9° |
| C13 | C8 | C9 | 120.0° | 120.2° |
| C8 | C13 | H3 | 120.0° | 119.9° |
| C3 | C2 | C5 | 134.5° | 134.6° |
| C2 | C3 | O1 | 128.8° | 120.9° |
| C2 | C5 | C7 | 126.4° | 126.6° |
| C21 | C22 | C23 | 114.1° | 109.5° |
| C22 | C21 | C16 | 109.6° | 109.5° |
| C22 | C21 | H8 | 109.4° | 109.5° |
| C22 | C21 | H9 | 109.4° | 109.5° |
| C21 | C22 | H10 | 108.3° | 109.5° |
| C21 | C22 | H11 | 108.3° | 109.5° |
| C22 | C23 | O3 | 110.0° | 120.0° |
| C22 | C23 | O4 | 126.9° | 120.0° |
| C23 | C22 | H10 | 108.3° | 109.5° |
| C23 | C22 | H11 | 108.3° | 109.5° |
| O3 | C23 | O4 | 123.1° | 120.0° |
| C11 | C14 | N5 | 111.7° | 120.0° |
| C14 | C11 | C10 | 119.4° | 120.1° |
| C14 | N5 | C15 | 126.9° | 120.0° |
| C14 | N5 | H20 | 116.5° | 119.9° |
| C5 | C7 | C8 | 110.1° | 109.5° |
| C5 | C7 | H13 | 109.3° | 109.5° |
| C5 | C7 | H14 | 109.3° | 109.5° |
| C21 | C16 | C17 | 118.1° | 120.1° |
| C21 | C16 | C15 | 122.5° | 120.0° |
| C16 | C21 | H8 | 109.5° | 109.4° |
| C16 | C21 | H9 | 109.4° | 109.4° |
| C11 | C10 | C9 | 120.0° | 119.8° |
| C11 | C10 | H1 | 120.0° | 120.1° |
| C23 | O4 | H21 | 109.5° | 117.0° |
| C17 | C16 | C15 | 119.3° | 119.9° |
| C16 | C17 | C18 | 121.0° | 120.1° |
| C16 | C17 | H4 | 119.5° | 119.9° |
| C16 | C15 | N5 | 123.3° | 120.1° |
| C16 | C15 | C20 | 119.3° | 119.9° |
| C17 | C18 | C19 | 119.8° | 120.2° |
| C18 | C17 | H4 | 119.5° | 120.0° |
| C17 | C18 | H5 | 120.1° | 119.9° |
| C7 | C8 | C9 | 119.4° | 119.9° |
| C8 | C7 | H13 | 109.3° | 109.4° |
| C8 | C7 | H14 | 109.3° | 109.5° |
| C8 | C9 | C10 | 120.0° | 120.2° |
| C8 | C9 | H15 | 120.0° | 119.9° |
| N5 | C15 | C20 | 117.3° | 120.0° |
| C15 | N5 | H20 | 116.6° | 120.0° |
| C15 | C20 | C19 | 121.1° | 119.9° |
| C15 | C20 | H7 | 119.4° | 120.1° |
| C18 | C19 | C20 | 119.5° | 120.1° |
| C19 | C18 | H5 | 120.1° | 119.9° |
| C18 | C19 | H6 | 120.3° | 120.0° |
| C9 | C10 | H1 | 120.0° | 120.1° |
| C10 | C9 | H15 | 120.0° | 119.9° |
| C20 | C19 | H6 | 120.2° | 120.0° |
| C19 | C20 | H7 | 119.5° | 120.0° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.4° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| H18 | N4 | H19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C4 | N1 | N2 | 179.8° | 179.9° |
| N4 | C4 | N1 | C1 | 179.9° | 180.0° |
| N4 | C4 | N2 | C3 | 179.9° | 180.0° |
| N4 | C4 | N2 | H16 | 0.1° | 0.0° |
| C4 | N4 | H18 | H19 | 180.0° | 180.0° |
| C4 | N1 | C1 | N3 | 180.0° | 179.7° |
| C4 | N1 | C1 | C2 | 0.0° | 0.0° |
| N1 | C4 | N2 | C3 | 0.1° | 0.1° |
| N1 | C4 | N2 | H16 | 179.9° | 180.0° |
| N1 | C4 | N4 | H18 | 0.0° | 180.0° |
| N1 | C4 | N4 | H19 | 180.0° | 0.0° |
| C1 | N1 | C4 | N2 | 0.1° | 0.0° |
| N1 | C1 | N3 | C2 | 180.0° | 179.7° |
| N1 | C1 | N3 | C6 | 179.9° | 179.9° |
| N1 | C1 | C2 | C3 | 0.1° | 0.0° |
| N1 | C1 | C2 | C5 | 180.0° | 180.0° |
| N1 | C1 | N3 | H17 | 0.1° | 0.2° |
| C4 | N2 | C3 | H16 | 180.0° | 180.0° |
| C4 | N2 | C3 | C2 | 0.0° | 0.1° |
| C4 | N2 | C3 | O1 | 179.9° | 180.0° |
| N2 | C4 | N4 | H18 | 179.8° | 0.0° |
| N2 | C4 | N4 | H19 | 0.2° | 180.0° |
| C1 | N3 | C6 | H17 | 180.0° | 179.7° |
| C1 | N3 | C6 | C5 | 0.0° | 0.4° |
| N3 | C1 | C2 | C3 | 179.9° | 179.8° |
| N3 | C1 | C2 | C5 | 0.1° | 0.2° |
| C1 | N3 | C6 | H12 | 180.0° | 179.9° |
| C6 | N3 | C1 | C2 | 0.1° | 0.3° |
| N3 | C6 | C5 | H12 | 180.0° | 179.7° |
| N3 | C6 | C5 | C2 | 0.0° | 0.3° |
| N3 | C6 | C5 | C7 | 179.9° | 179.8° |
| C1 | C2 | C3 | N2 | 0.1° | 0.0° |
| C1 | C2 | C5 | C6 | 0.0° | 0.1° |
| C1 | C2 | C3 | C5 | 180.0° | 179.9° |
| C1 | C2 | C3 | O1 | 180.0° | 180.0° |
| C1 | C2 | C5 | C7 | 179.9° | 180.0° |
| C2 | C1 | N3 | H17 | 179.9° | 180.0° |
| O2 | C14 | C11 | C12 | 1.6° | 180.0° |
| O2 | C14 | C11 | N5 | 180.0° | 179.9° |
| O2 | C14 | C11 | C10 | 177.5° | 0.0° |
| O2 | C14 | N5 | C15 | 1.3° | 5.6° |
| O2 | C14 | N5 | H20 | 178.6° | 174.4° |
| N2 | C3 | C2 | O1 | 179.9° | 179.9° |
| N2 | C3 | C2 | C5 | 180.0° | 179.9° |
| C13 | C12 | C11 | H2 | 180.0° | 180.0° |
| C12 | C13 | C8 | H3 | 180.0° | 179.9° |
| C13 | C12 | C11 | C14 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C12 | C13 | C8 | C7 | 179.7° | 180.0° |
| C12 | C13 | C8 | C9 | 0.4° | 0.0° |
| C11 | C12 | C13 | C8 | 0.0° | 0.0° |
| C12 | C11 | C14 | C10 | 179.1° | 180.0° |
| C12 | C11 | C14 | N5 | 178.4° | 0.0° |
| C12 | C11 | C10 | C9 | 0.4° | 0.0° |
| C12 | C11 | C10 | H1 | 179.6° | 179.7° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C6 | C5 | C2 | C3 | 179.9° | 180.0° |
| C6 | C5 | C2 | C7 | 179.9° | 179.9° |
| C6 | C5 | C7 | C8 | 118.9° | 95.1° |
| C6 | C5 | C7 | H13 | 1.2° | 24.9° |
| C6 | C5 | C7 | H14 | 121.0° | 144.9° |
| C5 | C6 | N3 | H17 | 179.9° | 179.9° |
| C13 | C8 | C7 | C5 | 33.9° | 90.0° |
| C13 | C8 | C7 | C9 | 179.3° | 180.0° |
| C13 | C8 | C9 | C10 | 0.4° | 0.0° |
| C8 | C13 | C12 | H2 | 180.0° | 180.0° |
| C13 | C8 | C7 | H13 | 86.2° | 30.0° |
| C13 | C8 | C7 | H14 | 154.0° | 150.0° |
| C13 | C8 | C9 | H15 | 179.6° | 179.6° |
| C3 | C2 | C5 | C7 | 0.0° | 0.1° |
| C2 | C3 | N2 | H16 | 180.0° | 180.0° |
| C5 | C2 | C3 | O1 | 0.0° | 0.0° |
| C2 | C5 | C7 | C8 | 61.2° | 85.0° |
| C2 | C5 | C6 | H12 | 180.0° | 180.0° |
| C2 | C5 | C7 | H13 | 178.7° | 155.0° |
| C2 | C5 | C7 | H14 | 58.9° | 35.0° |
| C21 | C22 | C23 | H10 | 120.7° | 120.0° |
| C21 | C22 | C23 | H11 | 120.7° | 120.0° |
| C21 | C22 | C23 | O3 | 92.2° | 0.0° |
| C22 | C21 | C16 | H8 | 120.0° | 120.0° |
| C22 | C21 | C16 | H9 | 120.0° | 120.0° |
| C21 | C22 | C23 | O4 | 90.7° | 180.0° |
| C22 | C21 | C16 | C17 | 10.2° | 95.0° |
| C22 | C21 | C16 | C15 | 173.9° | 85.0° |
| C22 | C21 | H8 | H9 | 119.9° | 120.0° |
| C21 | C22 | H10 | H11 | 117.8° | 120.0° |
| C22 | C23 | O3 | O4 | 177.2° | 180.0° |
| C23 | C22 | C21 | C16 | 115.5° | 180.0° |
| C23 | C22 | C21 | H8 | 4.5° | 60.0° |
| C23 | C22 | C21 | H9 | 124.4° | 60.0° |
| C23 | C22 | H10 | H11 | 117.9° | 120.0° |
| C22 | C23 | O4 | H21 | 176.7° | 180.0° |
| O3 | C23 | C22 | H10 | 147.1° | 120.0° |
| O3 | C23 | C22 | H11 | 28.4° | 120.0° |
| O3 | C23 | O4 | H21 | 0.0° | 0.0° |
| O1 | C3 | N2 | H16 | 0.0° | 0.0° |
| C11 | C14 | N5 | C15 | 178.6° | 174.5° |
| C14 | C11 | C10 | C9 | 179.5° | 179.9° |
| C14 | C11 | C10 | H1 | 0.5° | 0.3° |
| C14 | C11 | C12 | H2 | 0.5° | 0.0° |
| C11 | C14 | N5 | H20 | 1.4° | 5.5° |
| N5 | C14 | C11 | C10 | 2.5° | 180.0° |
| C14 | N5 | C15 | C16 | 58.6° | 155.4° |
| C14 | N5 | C15 | H20 | 180.0° | 180.0° |
| C14 | N5 | C15 | C20 | 118.2° | 24.8° |
| C5 | C7 | C8 | H13 | 120.1° | 120.0° |
| C5 | C7 | C8 | H14 | 120.1° | 120.0° |
| C5 | C7 | C8 | C9 | 145.5° | 90.0° |
| C7 | C5 | C6 | H12 | 0.1° | 0.1° |
| C5 | C7 | H13 | H14 | 119.7° | 120.0° |
| C21 | C16 | C17 | C15 | 176.1° | 180.0° |
| C21 | C16 | C17 | C18 | 178.6° | 180.0° |
| C21 | C16 | C15 | N5 | 4.2° | 0.2° |
| C21 | C16 | C15 | C20 | 178.9° | 180.0° |
| C21 | C16 | C17 | H4 | 1.4° | 0.0° |
| C16 | C21 | H8 | H9 | 119.9° | 119.9° |
| C16 | C21 | C22 | H10 | 5.2° | 60.0° |
| C16 | C21 | C22 | H11 | 123.8° | 60.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | H2 | 179.6° | 180.0° |
| C11 | C10 | C9 | H15 | 180.0° | 179.7° |
| O4 | C23 | C22 | H10 | 30.0° | 60.0° |
| O4 | C23 | C22 | H11 | 148.6° | 60.0° |
| C16 | C17 | C18 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | N5 | 179.9° | 179.7° |
| C17 | C16 | C15 | C20 | 3.1° | 0.0° |
| C16 | C17 | C18 | C19 | 1.0° | 0.0° |
| C16 | C17 | C18 | H5 | 179.0° | 180.0° |
| C17 | C16 | C21 | H8 | 109.8° | 25.0° |
| C17 | C16 | C21 | H9 | 130.2° | 145.0° |
| C15 | C16 | C17 | C18 | 2.6° | 0.0° |
| C16 | C15 | N5 | C20 | 176.9° | 179.8° |
| C16 | C15 | C20 | C19 | 2.0° | 0.0° |
| C15 | C16 | C17 | H4 | 177.4° | 180.0° |
| C16 | C15 | C20 | H7 | 178.0° | 179.9° |
| C15 | C16 | C21 | H8 | 66.1° | 155.0° |
| C15 | C16 | C21 | H9 | 53.8° | 35.0° |
| C16 | C15 | N5 | H20 | 121.3° | 24.6° |
| C17 | C18 | C19 | H5 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C17 | C18 | C19 | H6 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 179.7° | 179.9° |
| C7 | C8 | C13 | H3 | 0.3° | 0.1° |
| C8 | C7 | H13 | H14 | 119.7° | 120.0° |
| C7 | C8 | C9 | H15 | 0.2° | 0.3° |
| C8 | C9 | C10 | H15 | 180.0° | 179.6° |
| C8 | C9 | C10 | H1 | 180.0° | 179.7° |
| C9 | C8 | C13 | H3 | 179.6° | 179.9° |
| C9 | C8 | C7 | H13 | 94.5° | 150.0° |
| C9 | C8 | C7 | H14 | 25.4° | 30.0° |
| N5 | C15 | C20 | C19 | 179.0° | 179.8° |
| N5 | C15 | C20 | H7 | 1.0° | 0.2° |
| C15 | C20 | C19 | C18 | 0.4° | 0.1° |
| C15 | C20 | C19 | H7 | 180.0° | 180.0° |
| C15 | C20 | C19 | H6 | 179.6° | 180.0° |
| C20 | C15 | N5 | H20 | 61.8° | 155.2° |
| C18 | C19 | C20 | H6 | 180.0° | 179.9° |
| C19 | C18 | C17 | H4 | 179.0° | 180.0° |
| C18 | C19 | C20 | H7 | 179.6° | 179.9° |
| C20 | C19 | C18 | H5 | 179.8° | 179.9° |
| H1 | C10 | C9 | H15 | 0.0° | 0.1° |
| H2 | C12 | C13 | H3 | 0.0° | 0.0° |
| H4 | C17 | C18 | H5 | 1.0° | 0.0° |
| H5 | C18 | C19 | H6 | 0.2° | 0.0° |
| H6 | C19 | C20 | H7 | 0.4° | 0.1° |
| H8 | C21 | C22 | H10 | 125.2° | 180.0° |
| H8 | C21 | C22 | H11 | 116.2° | 60.0° |
| H9 | C21 | C22 | H10 | 114.8° | 60.0° |
| H9 | C21 | C22 | H11 | 3.7° | 180.0° |
| H12 | C6 | N3 | H17 | 0.1° | 0.2° |
