OG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C22 | trip | 1.14Å | 1.15Å | |
| C22 | C17 | sing | 1.43Å | 1.45Å | |
| C18 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.37Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| O2 | C14 | doub | 1.22Å | 1.23Å | |
| N4 | C4 | sing | 1.37Å | 1.38Å | |
| C20 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.47Å | 1.51Å | |
| C15 | N5 | sing | 1.39Å | 1.43Å | |
| C14 | N5 | sing | 1.35Å | 1.35Å | |
| C14 | C11 | sing | 1.48Å | 1.51Å | |
| C21 | O4 | doub | 1.22Å | 1.23Å | |
| C21 | O3 | sing | 1.35Å | 1.37Å | |
| C4 | N2 | sing | 1.36Å | 1.41Å | |
| C4 | N1 | doub | 1.31Å | 1.31Å | |
| N2 | C3 | sing | 1.35Å | 1.35Å | |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| N1 | C1 | sing | 1.34Å | 1.39Å | |
| C3 | O1 | doub | 1.22Å | 1.23Å | |
| C3 | C2 | sing | 1.41Å | 1.48Å | |
| C13 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.37Å | Aromatic |
| C1 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | C5 | sing | 1.46Å | 1.44Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| N3 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.34Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C22 | C17 | 178.8° | 180.0° |
| C22 | C17 | C18 | 121.6° | 120.0° |
| C22 | C17 | C16 | 118.7° | 120.0° |
| C17 | C18 | C19 | 119.5° | 120.2° |
| C18 | C17 | C16 | 119.7° | 120.1° |
| C17 | C18 | H5 | 120.3° | 119.9° |
| C18 | C19 | C20 | 121.6° | 120.1° |
| C19 | C18 | H5 | 120.2° | 119.9° |
| C18 | C19 | H6 | 119.2° | 120.0° |
| C17 | C16 | C15 | 121.8° | 120.0° |
| C17 | C16 | H4 | 119.1° | 120.0° |
| C19 | C20 | C15 | 118.5° | 119.9° |
| C19 | C20 | C21 | 117.7° | 120.0° |
| C20 | C19 | H6 | 119.2° | 119.9° |
| C16 | C15 | C20 | 119.0° | 119.8° |
| C16 | C15 | N5 | 117.3° | 120.1° |
| C15 | C16 | H4 | 119.1° | 120.0° |
| O2 | C14 | N5 | 125.2° | 120.0° |
| O2 | C14 | C11 | 121.1° | 120.0° |
| N4 | C4 | N2 | 111.6° | 118.9° |
| N4 | C4 | N1 | 124.2° | 118.9° |
| C4 | N4 | H13 | 120.0° | 120.0° |
| C4 | N4 | H14 | 120.0° | 120.0° |
| C15 | C20 | C21 | 123.8° | 120.0° |
| C20 | C15 | N5 | 123.7° | 120.1° |
| C20 | C21 | O4 | 123.1° | 120.0° |
| C20 | C21 | O3 | 114.0° | 120.0° |
| C15 | N5 | C14 | 131.4° | 120.0° |
| C15 | N5 | H15 | 114.3° | 120.0° |
| N5 | C14 | C11 | 113.7° | 120.0° |
| C14 | N5 | H15 | 114.3° | 120.0° |
| C14 | C11 | C12 | 121.0° | 120.1° |
| C14 | C11 | C10 | 120.2° | 120.1° |
| O4 | C21 | O3 | 122.9° | 120.0° |
| C21 | O3 | H16 | 109.5° | 117.0° |
| N2 | C4 | N1 | 124.2° | 122.2° |
| C4 | N2 | C3 | 122.6° | 120.1° |
| C4 | N2 | H11 | 118.7° | 119.9° |
| C4 | N1 | C1 | 114.7° | 121.2° |
| N2 | C3 | O1 | 122.1° | 120.9° |
| N2 | C3 | C2 | 115.4° | 118.2° |
| C3 | N2 | H11 | 118.7° | 119.9° |
| C11 | C12 | C13 | 120.2° | 119.8° |
| C12 | C11 | C10 | 118.8° | 119.8° |
| C11 | C12 | H2 | 119.9° | 120.1° |
| C12 | C13 | C8 | 120.8° | 120.1° |
| C13 | C12 | H2 | 119.9° | 120.1° |
| C12 | C13 | H3 | 119.6° | 119.9° |
| C11 | C10 | C9 | 120.9° | 119.8° |
| C11 | C10 | H1 | 119.6° | 120.1° |
| N1 | C1 | C2 | 126.2° | 119.1° |
| N1 | C1 | N3 | 125.8° | 133.6° |
| O1 | C3 | C2 | 122.6° | 120.9° |
| C3 | C2 | C1 | 116.9° | 119.1° |
| C3 | C2 | C5 | 135.4° | 134.6° |
| C13 | C8 | C9 | 119.1° | 120.3° |
| C13 | C8 | C7 | 120.4° | 119.8° |
| C8 | C13 | H3 | 119.6° | 120.0° |
| C10 | C9 | C8 | 120.1° | 120.1° |
| C9 | C10 | H1 | 119.5° | 120.0° |
| C10 | C9 | H10 | 119.9° | 119.9° |
| C2 | C1 | N3 | 108.0° | 107.3° |
| C1 | C2 | C5 | 107.7° | 106.3° |
| C1 | N3 | C6 | 109.4° | 110.1° |
| C1 | N3 | H12 | 125.3° | 124.9° |
| C2 | C5 | C6 | 106.6° | 106.7° |
| C2 | C5 | C7 | 127.3° | 126.6° |
| C9 | C8 | C7 | 120.5° | 119.9° |
| C8 | C9 | H10 | 119.9° | 119.9° |
| C8 | C7 | C5 | 110.2° | 109.5° |
| C8 | C7 | H8 | 109.3° | 109.5° |
| C8 | C7 | H9 | 109.3° | 109.5° |
| N3 | C6 | C5 | 108.2° | 109.6° |
| N3 | C6 | H7 | 125.9° | 125.2° |
| C6 | N3 | H12 | 125.3° | 125.0° |
| C6 | C5 | C7 | 126.1° | 126.6° |
| C5 | C6 | H7 | 125.9° | 125.2° |
| C5 | C7 | H8 | 109.3° | 109.5° |
| C5 | C7 | H9 | 109.3° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H13 | N4 | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C22 | C17 | C18 | 178.1° | 52.4° |
| N6 | C22 | C17 | C16 | 1.8° | 127.6° |
| C22 | C17 | C18 | C16 | 179.9° | 180.0° |
| C22 | C17 | C18 | C19 | 180.0° | 180.0° |
| C22 | C17 | C16 | C15 | 179.6° | 179.9° |
| C22 | C17 | C16 | H4 | 0.4° | 0.1° |
| C22 | C17 | C18 | H5 | 0.0° | 0.1° |
| C17 | C18 | C19 | H5 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.2° |
| C18 | C17 | C16 | C15 | 0.5° | 0.0° |
| C18 | C17 | C16 | H4 | 179.5° | 179.9° |
| C17 | C18 | C19 | H6 | 179.8° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | H6 | 180.0° | 179.8° |
| C18 | C19 | C20 | C15 | 0.6° | 0.5° |
| C18 | C19 | C20 | C21 | 179.9° | 180.0° |
| C17 | C16 | C15 | H4 | 180.0° | 179.9° |
| C17 | C16 | C15 | C20 | 0.9° | 0.3° |
| C17 | C16 | C15 | N5 | 179.6° | 180.0° |
| C16 | C17 | C18 | H5 | 179.9° | 180.0° |
| C19 | C20 | C15 | C16 | 0.9° | 0.6° |
| C19 | C20 | C15 | C21 | 179.3° | 179.5° |
| C19 | C20 | C15 | N5 | 179.5° | 179.7° |
| C19 | C20 | C21 | O4 | 142.8° | 175.1° |
| C19 | C20 | C21 | O3 | 36.8° | 4.9° |
| C20 | C19 | C18 | H5 | 179.9° | 179.7° |
| C16 | C15 | C20 | N5 | 178.6° | 179.7° |
| C16 | C15 | C20 | C21 | 179.8° | 180.0° |
| C16 | C15 | N5 | C14 | 98.3° | 25.3° |
| C16 | C15 | N5 | H15 | 81.7° | 154.7° |
| O2 | C14 | N5 | C15 | 2.0° | 5.5° |
| O2 | C14 | N5 | C11 | 180.0° | 180.0° |
| O2 | C14 | C11 | C12 | 16.8° | 180.0° |
| O2 | C14 | C11 | C10 | 162.1° | 0.0° |
| O2 | C14 | N5 | H15 | 178.0° | 174.4° |
| N4 | C4 | N2 | N1 | 179.9° | 179.3° |
| N4 | C4 | N2 | C3 | 179.8° | 180.0° |
| N4 | C4 | N1 | C1 | 180.0° | 179.8° |
| N4 | C4 | N2 | H11 | 0.2° | 0.7° |
| C4 | N4 | H13 | H14 | 180.0° | 180.0° |
| C20 | C15 | N5 | C14 | 83.1° | 154.4° |
| C15 | C20 | C21 | O4 | 36.5° | 4.4° |
| C15 | C20 | C21 | O3 | 143.9° | 175.6° |
| C20 | C15 | C16 | H4 | 179.1° | 179.8° |
| C15 | C20 | C19 | H6 | 179.4° | 179.7° |
| C20 | C15 | N5 | H15 | 96.9° | 25.5° |
| C21 | C20 | C15 | N5 | 1.2° | 0.2° |
| C20 | C21 | O4 | O3 | 179.5° | 180.0° |
| C21 | C20 | C19 | H6 | 0.1° | 0.2° |
| C20 | C21 | O3 | H16 | 179.6° | 180.0° |
| C15 | N5 | C14 | H15 | 180.0° | 180.0° |
| C15 | N5 | C14 | C11 | 178.0° | 174.4° |
| N5 | C15 | C16 | H4 | 0.4° | 0.1° |
| N5 | C14 | C11 | C12 | 163.2° | 0.0° |
| N5 | C14 | C11 | C10 | 17.9° | 180.0° |
| C14 | C11 | C12 | C10 | 178.9° | 180.0° |
| C14 | C11 | C12 | C13 | 179.6° | 180.0° |
| C14 | C11 | C10 | C9 | 179.6° | 180.0° |
| C14 | C11 | C10 | H1 | 0.4° | 0.3° |
| C14 | C11 | C12 | H2 | 0.5° | 0.0° |
| C11 | C14 | N5 | H15 | 2.0° | 5.6° |
| O4 | C21 | O3 | H16 | 0.0° | 0.0° |
| C4 | N2 | C3 | H11 | 180.0° | 179.3° |
| N2 | C4 | N1 | C1 | 0.0° | 0.5° |
| C4 | N2 | C3 | O1 | 179.9° | 179.5° |
| C4 | N2 | C3 | C2 | 0.1° | 0.4° |
| N2 | C4 | N4 | H13 | 180.0° | 0.0° |
| N2 | C4 | N4 | H14 | 0.1° | 180.0° |
| N1 | C4 | N2 | C3 | 0.1° | 0.6° |
| C4 | N1 | C1 | C2 | 0.2° | 0.1° |
| C4 | N1 | C1 | N3 | 180.0° | 179.7° |
| N1 | C4 | N2 | H11 | 179.9° | 180.0° |
| N1 | C4 | N4 | H13 | 0.0° | 179.4° |
| N1 | C4 | N4 | H14 | 180.0° | 0.6° |
| N2 | C3 | O1 | C2 | 180.0° | 179.9° |
| N2 | C3 | C2 | C1 | 0.1° | 0.0° |
| N2 | C3 | C2 | C5 | 179.7° | 179.9° |
| C11 | C12 | C13 | H2 | 180.0° | 179.9° |
| C11 | C12 | C13 | C8 | 0.2° | 0.0° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C12 | C11 | C10 | H1 | 179.4° | 179.7° |
| C11 | C12 | C13 | H3 | 179.8° | 180.0° |
| C13 | C12 | C11 | C10 | 0.7° | 0.0° |
| C12 | C13 | C8 | H3 | 180.0° | 180.0° |
| C12 | C13 | C8 | C9 | 0.2° | 0.0° |
| C12 | C13 | C8 | C7 | 179.6° | 180.0° |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.2° | 0.0° |
| C10 | C11 | C12 | H2 | 179.4° | 179.9° |
| C11 | C10 | C9 | H10 | 179.8° | 179.8° |
| N1 | C1 | C2 | C3 | 0.2° | 0.2° |
| N1 | C1 | C2 | N3 | 179.9° | 179.8° |
| N1 | C1 | C2 | C5 | 179.9° | 179.8° |
| N1 | C1 | N3 | C6 | 180.0° | 179.7° |
| N1 | C1 | N3 | H12 | 0.0° | 0.2° |
| O1 | C3 | C2 | C1 | 179.9° | 179.9° |
| O1 | C3 | C2 | C5 | 0.3° | 0.0° |
| O1 | C3 | N2 | H11 | 0.1° | 0.2° |
| C3 | C2 | C1 | C5 | 179.7° | 179.9° |
| C3 | C2 | C1 | N3 | 179.9° | 180.0° |
| C3 | C2 | C5 | C6 | 179.8° | 179.9° |
| C3 | C2 | C5 | C7 | 0.1° | 0.1° |
| C2 | C3 | N2 | H11 | 179.9° | 179.7° |
| C13 | C8 | C9 | C10 | 0.3° | 0.0° |
| C13 | C8 | C9 | C7 | 179.3° | 180.0° |
| C13 | C8 | C7 | C5 | 32.3° | 90.0° |
| C8 | C13 | C12 | H2 | 179.8° | 179.9° |
| C13 | C8 | C7 | H8 | 152.4° | 30.0° |
| C13 | C8 | C7 | H9 | 87.8° | 150.0° |
| C13 | C8 | C9 | H10 | 179.8° | 179.8° |
| C10 | C9 | C8 | H10 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 179.6° | 180.0° |
| C2 | C1 | N3 | C6 | 0.2° | 0.1° |
| C1 | C2 | C5 | C6 | 0.1° | 0.0° |
| C1 | C2 | C5 | C7 | 179.5° | 180.0° |
| C2 | C1 | N3 | H12 | 179.8° | 180.0° |
| N3 | C1 | C2 | C5 | 0.2° | 0.1° |
| C1 | N3 | C6 | H12 | 180.0° | 179.9° |
| C1 | N3 | C6 | C5 | 0.1° | 0.0° |
| C1 | N3 | C6 | H7 | 180.0° | 180.0° |
| C2 | C5 | C7 | C8 | 58.3° | 85.0° |
| C2 | C5 | C6 | N3 | 0.0° | 0.0° |
| C2 | C5 | C6 | C7 | 179.7° | 179.9° |
| C2 | C5 | C6 | H7 | 179.9° | 179.9° |
| C2 | C5 | C7 | H8 | 61.8° | 155.0° |
| C2 | C5 | C7 | H9 | 178.4° | 34.9° |
| C9 | C8 | C7 | C5 | 147.0° | 90.0° |
| C8 | C9 | C10 | H1 | 179.8° | 179.8° |
| C9 | C8 | C13 | H3 | 179.7° | 179.9° |
| C9 | C8 | C7 | H8 | 26.9° | 150.0° |
| C9 | C8 | C7 | H9 | 92.9° | 30.0° |
| C8 | C7 | C5 | C6 | 121.3° | 95.1° |
| C8 | C7 | C5 | H8 | 120.1° | 120.0° |
| C8 | C7 | C5 | H9 | 120.1° | 120.0° |
| C7 | C8 | C13 | H3 | 0.4° | 0.0° |
| C8 | C7 | H8 | H9 | 119.7° | 120.0° |
| C7 | C8 | C9 | H10 | 0.4° | 0.2° |
| N3 | C6 | C5 | H7 | 180.0° | 179.9° |
| N3 | C6 | C5 | C7 | 179.6° | 179.9° |
| C6 | C5 | C7 | H8 | 118.6° | 24.9° |
| C6 | C5 | C7 | H9 | 1.2° | 145.0° |
| C5 | C6 | N3 | H12 | 179.9° | 179.9° |
| C7 | C5 | C6 | H7 | 0.4° | 0.0° |
| C5 | C7 | H8 | H9 | 119.7° | 120.0° |
| H1 | C10 | C9 | H10 | 0.2° | 0.1° |
| H2 | C12 | C13 | H3 | 0.2° | 0.1° |
| H5 | C18 | C19 | H6 | 0.2° | 0.1° |
| H7 | C6 | N3 | H12 | 0.0° | 0.1° |
