J0G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N4 | sing | 1.47Å | 1.45Å | |
| C22 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C4 | sing | 1.39Å | 1.43Å | |
| C23 | C8 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| O1 | C7 | doub | 1.22Å | 1.23Å | |
| C7 | N1 | sing | 1.35Å | 1.39Å | |
| C7 | C5 | sing | 1.47Å | 1.49Å | |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C17 | sing | 1.48Å | 1.46Å | |
| C2 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O2 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | O2 | sing | 1.36Å | 1.40Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| N4 | H16 | sing | 1.01Å | 1.00Å | |
| N4 | H17 | sing | 1.01Å | 1.00Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C22 | C16 | 108.7° | 109.5° |
| N4 | C22 | H11 | 109.7° | 109.5° |
| N4 | C22 | H12 | 109.6° | 109.5° |
| C22 | N4 | H16 | 109.5° | 111.0° |
| C22 | N4 | H17 | 109.5° | 111.0° |
| C22 | C16 | N2 | 110.7° | 109.5° |
| C16 | C22 | H11 | 109.7° | 109.4° |
| C16 | C22 | H12 | 109.7° | 109.5° |
| C22 | C16 | H21 | 109.1° | 109.4° |
| C22 | C16 | H22 | 109.2° | 109.5° |
| C16 | N2 | C4 | 121.7° | 120.0° |
| C16 | N2 | H14 | 106.3° | 119.9° |
| N2 | C16 | H21 | 109.2° | 109.5° |
| N2 | C16 | H22 | 109.1° | 109.5° |
| N2 | C4 | C3 | 120.8° | 120.1° |
| N2 | C4 | C5 | 122.1° | 120.1° |
| C4 | N2 | H14 | 106.3° | 120.1° |
| C23 | C8 | N1 | 109.6° | 109.5° |
| C23 | C8 | C9 | 106.0° | 109.5° |
| C23 | C8 | H3 | 108.5° | 109.5° |
| C8 | C23 | H25 | 109.5° | 109.4° |
| C8 | C23 | H26 | 109.5° | 109.4° |
| C8 | C23 | H27 | 109.5° | 109.4° |
| C3 | C4 | C5 | 117.1° | 119.8° |
| C4 | C3 | C2 | 122.7° | 120.0° |
| C4 | C3 | H15 | 118.6° | 120.0° |
| C4 | C5 | C7 | 125.0° | 120.1° |
| C4 | C5 | C6 | 120.6° | 119.8° |
| C3 | C2 | C17 | 121.7° | 119.9° |
| C3 | C2 | C1 | 118.5° | 120.2° |
| C2 | C3 | H15 | 118.7° | 120.0° |
| N1 | C8 | C9 | 114.3° | 109.5° |
| C8 | N1 | C7 | 122.2° | 120.0° |
| C8 | N1 | H1 | 118.9° | 120.0° |
| N1 | C8 | H3 | 109.4° | 109.5° |
| C8 | C9 | C10 | 118.1° | 120.0° |
| C8 | C9 | C14 | 122.3° | 120.0° |
| C9 | C8 | H3 | 108.8° | 109.5° |
| O1 | C7 | N1 | 124.8° | 120.0° |
| O1 | C7 | C5 | 118.9° | 120.0° |
| N1 | C7 | C5 | 116.2° | 120.0° |
| C7 | N1 | H1 | 118.9° | 120.0° |
| C7 | C5 | C6 | 114.4° | 120.1° |
| C5 | C6 | C1 | 120.8° | 120.1° |
| C5 | C6 | H2 | 119.6° | 119.9° |
| C17 | C2 | C1 | 119.7° | 119.9° |
| C2 | C17 | C18 | 121.6° | 120.9° |
| C2 | C17 | C21 | 120.5° | 120.9° |
| C2 | C1 | C6 | 120.3° | 120.2° |
| C2 | C1 | H13 | 119.9° | 119.9° |
| C18 | C17 | C21 | 117.9° | 118.1° |
| C17 | C18 | C19 | 118.9° | 119.0° |
| C17 | C18 | H23 | 120.6° | 120.5° |
| C17 | C21 | C20 | 118.9° | 119.1° |
| C17 | C21 | H10 | 120.5° | 120.5° |
| C18 | C19 | N3 | 124.2° | 120.9° |
| C19 | C18 | H23 | 120.6° | 120.5° |
| C18 | C19 | H24 | 117.9° | 119.6° |
| C21 | C20 | N3 | 124.3° | 120.9° |
| C21 | C20 | H9 | 117.8° | 119.6° |
| C20 | C21 | H10 | 120.6° | 120.5° |
| C1 | C6 | H2 | 119.6° | 120.0° |
| C6 | C1 | H13 | 119.9° | 119.9° |
| C19 | N3 | C20 | 115.8° | 122.0° |
| N3 | C19 | H24 | 117.9° | 119.5° |
| N3 | C20 | H9 | 117.9° | 119.6° |
| C10 | C9 | C14 | 119.5° | 120.0° |
| C9 | C10 | C11 | 120.3° | 119.9° |
| C9 | C10 | H4 | 119.8° | 120.0° |
| C9 | C14 | C13 | 120.4° | 120.1° |
| C9 | C14 | H20 | 119.8° | 119.9° |
| C10 | C11 | O2 | 125.6° | 120.0° |
| C10 | C11 | C12 | 119.7° | 119.9° |
| C11 | C10 | H4 | 119.8° | 120.0° |
| C15 | O2 | C11 | 114.3° | 117.0° |
| O2 | C15 | H6 | 109.5° | 109.5° |
| O2 | C15 | H7 | 109.5° | 109.5° |
| O2 | C15 | H8 | 109.5° | 109.5° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | H5 | 120.0° | 119.9° |
| C13 | C14 | H20 | 119.8° | 120.0° |
| O2 | C11 | C12 | 114.7° | 120.1° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C11 | C12 | H19 | 120.0° | 120.0° |
| C12 | C13 | H5 | 119.9° | 120.0° |
| C13 | C12 | H19 | 120.0° | 120.0° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H8 | 109.5° | 109.4° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H16 | N4 | H17 | 109.5° | 111.0° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.4° | 109.5° |
| H25 | C23 | H27 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C22 | C16 | H11 | 119.9° | 120.0° |
| N4 | C22 | C16 | H12 | 119.9° | 120.0° |
| N4 | C22 | C16 | N2 | 70.1° | 180.0° |
| N4 | C22 | H11 | H12 | 120.3° | 120.0° |
| C22 | N4 | H16 | H17 | 120.0° | 124.0° |
| N4 | C22 | C16 | H21 | 169.7° | 60.0° |
| N4 | C22 | C16 | H22 | 50.1° | 60.0° |
| C22 | C16 | N2 | H21 | 120.2° | 120.0° |
| C22 | C16 | N2 | H22 | 120.2° | 120.0° |
| C22 | C16 | N2 | C4 | 174.4° | 180.0° |
| C16 | C22 | H11 | H12 | 120.3° | 120.0° |
| C22 | C16 | N2 | H14 | 52.7° | 0.0° |
| C16 | C22 | N4 | H16 | 180.0° | 56.1° |
| C16 | C22 | N4 | H17 | 60.0° | 180.0° |
| C22 | C16 | H21 | H22 | 119.4° | 120.0° |
| C16 | N2 | C4 | H14 | 121.7° | 180.0° |
| C16 | N2 | C4 | C3 | 0.3° | 5.6° |
| C16 | N2 | C4 | C5 | 179.9° | 174.2° |
| N2 | C16 | C22 | H11 | 49.8° | 60.0° |
| N2 | C16 | C22 | H12 | 170.0° | 60.0° |
| N2 | C16 | H21 | H22 | 119.4° | 120.0° |
| N2 | C4 | C3 | C5 | 179.8° | 179.8° |
| N2 | C4 | C3 | C2 | 179.7° | 179.7° |
| N2 | C4 | C5 | C7 | 0.6° | 0.2° |
| N2 | C4 | C5 | C6 | 179.3° | 179.7° |
| N2 | C4 | C3 | H15 | 0.3° | 0.2° |
| C4 | N2 | C16 | H21 | 65.4° | 60.0° |
| C4 | N2 | C16 | H22 | 54.2° | 60.0° |
| C23 | C8 | N1 | C9 | 118.8° | 120.0° |
| C23 | C8 | N1 | H3 | 118.9° | 120.0° |
| C23 | C8 | C9 | H3 | 116.6° | 120.0° |
| C23 | C8 | N1 | C7 | 145.0° | 85.3° |
| C23 | C8 | C9 | C10 | 72.6° | 100.0° |
| C23 | C8 | C9 | C14 | 105.4° | 80.0° |
| C23 | C8 | N1 | H1 | 35.1° | 95.0° |
| C8 | C23 | H25 | H26 | 120.0° | 120.0° |
| C8 | C23 | H25 | H27 | 120.0° | 119.9° |
| C8 | C23 | H26 | H27 | 120.0° | 119.9° |
| C4 | C3 | C2 | H15 | 180.0° | 179.9° |
| C3 | C4 | C5 | C7 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.1° |
| C4 | C3 | C2 | C17 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | N2 | H14 | 121.4° | 174.4° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C4 | C5 | C7 | O1 | 131.9° | 5.9° |
| C4 | C5 | C7 | N1 | 50.3° | 174.0° |
| C4 | C5 | C7 | C6 | 179.9° | 179.9° |
| C4 | C5 | C6 | C1 | 0.8° | 0.1° |
| C4 | C5 | C6 | H2 | 179.2° | 180.0° |
| C5 | C4 | N2 | H14 | 58.4° | 5.8° |
| C5 | C4 | C3 | H15 | 179.6° | 180.0° |
| C3 | C2 | C17 | C1 | 179.6° | 179.9° |
| C3 | C2 | C17 | C18 | 44.1° | 180.0° |
| C3 | C2 | C17 | C21 | 136.2° | 0.1° |
| C3 | C2 | C1 | C6 | 0.2° | 0.1° |
| C3 | C2 | C1 | H13 | 179.8° | 180.0° |
| N1 | C8 | C9 | H3 | 122.6° | 120.0° |
| C8 | N1 | C7 | O1 | 3.1° | 0.3° |
| C8 | N1 | C7 | H1 | 180.0° | 179.7° |
| C8 | N1 | C7 | C5 | 179.2° | 179.7° |
| N1 | C8 | C9 | C10 | 166.6° | 140.0° |
| N1 | C8 | C9 | C14 | 15.4° | 40.0° |
| N1 | C8 | C23 | H25 | 180.0° | 60.0° |
| N1 | C8 | C23 | H26 | 60.0° | 60.0° |
| N1 | C8 | C23 | H27 | 60.0° | 180.0° |
| C9 | C8 | N1 | C7 | 96.3° | 154.7° |
| C8 | C9 | C10 | C14 | 178.1° | 180.0° |
| C8 | C9 | C10 | C11 | 178.6° | 180.0° |
| C8 | C9 | C14 | C13 | 178.2° | 179.5° |
| C9 | C8 | N1 | H1 | 83.7° | 25.0° |
| C8 | C9 | C10 | H4 | 1.4° | 0.3° |
| C8 | C9 | C14 | H20 | 1.8° | 0.0° |
| C9 | C8 | C23 | H25 | 56.2° | 60.0° |
| C9 | C8 | C23 | H26 | 63.8° | 180.0° |
| C9 | C8 | C23 | H27 | 176.2° | 60.0° |
| O1 | C7 | N1 | C5 | 177.7° | 180.0° |
| O1 | C7 | C5 | C6 | 48.0° | 174.1° |
| O1 | C7 | N1 | H1 | 176.9° | 180.0° |
| N1 | C7 | C5 | C6 | 129.8° | 5.9° |
| C7 | N1 | C8 | H3 | 26.1° | 34.7° |
| C7 | C5 | C6 | C1 | 179.3° | 180.0° |
| C5 | C7 | N1 | H1 | 0.8° | 0.0° |
| C7 | C5 | C6 | H2 | 0.8° | 0.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.1° |
| C5 | C6 | C1 | H2 | 180.0° | 180.0° |
| C5 | C6 | C1 | H13 | 179.7° | 180.0° |
| C2 | C17 | C18 | C21 | 179.7° | 179.9° |
| C2 | C17 | C18 | C19 | 179.4° | 179.9° |
| C2 | C17 | C21 | C20 | 179.3° | 180.0° |
| C17 | C2 | C1 | C6 | 179.8° | 180.0° |
| C2 | C17 | C21 | H10 | 0.7° | 0.1° |
| C17 | C2 | C1 | H13 | 0.2° | 0.1° |
| C17 | C2 | C3 | H15 | 0.3° | 0.1° |
| C2 | C17 | C18 | H23 | 0.6° | 0.0° |
| C1 | C2 | C17 | C18 | 136.3° | 0.1° |
| C1 | C2 | C17 | C21 | 43.4° | 180.0° |
| C2 | C1 | C6 | H13 | 180.0° | 179.9° |
| C2 | C1 | C6 | H2 | 179.8° | 180.0° |
| C1 | C2 | C3 | H15 | 179.9° | 180.0° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C18 | C17 | C21 | C20 | 0.4° | 0.1° |
| C17 | C18 | C19 | N3 | 0.1° | 0.0° |
| C18 | C17 | C21 | H10 | 179.6° | 180.0° |
| C17 | C18 | C19 | H24 | 179.9° | 179.9° |
| C21 | C17 | C18 | C19 | 0.3° | 0.0° |
| C17 | C21 | C20 | H10 | 180.0° | 179.9° |
| C17 | C21 | C20 | N3 | 0.1° | 0.1° |
| C17 | C21 | C20 | H9 | 179.9° | 180.0° |
| C21 | C17 | C18 | H23 | 179.7° | 179.9° |
| C18 | C19 | N3 | H24 | 180.0° | 179.9° |
| C18 | C19 | N3 | C20 | 0.4° | 0.0° |
| C21 | C20 | N3 | C19 | 0.3° | 0.0° |
| C21 | C20 | N3 | H9 | 180.0° | 180.0° |
| C19 | N3 | C20 | H9 | 179.7° | 180.0° |
| N3 | C19 | C18 | H23 | 179.9° | 180.0° |
| N3 | C20 | C21 | H10 | 179.9° | 180.0° |
| C20 | N3 | C19 | H24 | 179.6° | 179.9° |
| C9 | C10 | C11 | H4 | 180.0° | 179.7° |
| C10 | C9 | C14 | C13 | 0.2° | 0.5° |
| C9 | C10 | C11 | O2 | 178.7° | 179.8° |
| C9 | C10 | C11 | C12 | 1.0° | 0.3° |
| C10 | C9 | C8 | H3 | 44.0° | 20.0° |
| C10 | C9 | C14 | H20 | 179.8° | 180.0° |
| C14 | C9 | C10 | C11 | 0.5° | 0.0° |
| C9 | C14 | C13 | H20 | 180.0° | 179.5° |
| C9 | C14 | C13 | C12 | 0.4° | 0.8° |
| C14 | C9 | C8 | H3 | 138.0° | 160.0° |
| C14 | C9 | C10 | H4 | 179.4° | 179.8° |
| C9 | C14 | C13 | H5 | 179.6° | 179.7° |
| C10 | C11 | O2 | C15 | 12.2° | 180.0° |
| C10 | C11 | O2 | C12 | 177.8° | 179.9° |
| C10 | C11 | C12 | C13 | 1.1° | 0.0° |
| C10 | C11 | C12 | H19 | 178.8° | 179.5° |
| C15 | O2 | C11 | C12 | 170.1° | 0.0° |
| O2 | C15 | H6 | H7 | 120.0° | 120.0° |
| O2 | C15 | H6 | H8 | 120.0° | 120.0° |
| O2 | C15 | H7 | H8 | 120.0° | 120.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.6° |
| C14 | C13 | C12 | H5 | 180.0° | 179.4° |
| C14 | C13 | C12 | H19 | 179.1° | 180.0° |
| O2 | C11 | C12 | C13 | 179.1° | 179.9° |
| O2 | C11 | C10 | H4 | 1.3° | 0.1° |
| C11 | O2 | C15 | H6 | 180.0° | 180.0° |
| C11 | O2 | C15 | H7 | 60.0° | 60.0° |
| C11 | O2 | C15 | H8 | 60.0° | 60.0° |
| O2 | C11 | C12 | H19 | 0.9° | 0.5° |
| C11 | C12 | C13 | H19 | 180.0° | 179.4° |
| C12 | C11 | C10 | H4 | 179.0° | 180.0° |
| C11 | C12 | C13 | H5 | 179.1° | 180.0° |
| C12 | C13 | C14 | H20 | 179.6° | 179.7° |
| H1 | N1 | C8 | H3 | 154.0° | 145.0° |
| H2 | C6 | C1 | H13 | 0.3° | 0.0° |
| H3 | C8 | C23 | H25 | 60.6° | 180.0° |
| H3 | C8 | C23 | H26 | 179.4° | 60.0° |
| H3 | C8 | C23 | H27 | 59.4° | 60.0° |
| H5 | C13 | C12 | H19 | 0.9° | 0.6° |
| H5 | C13 | C14 | H20 | 0.4° | 0.3° |
| H6 | C15 | H7 | H8 | 120.0° | 120.0° |
| H9 | C20 | C21 | H10 | 0.1° | 0.1° |
| H11 | C22 | N4 | H16 | 60.1° | 176.0° |
| H11 | C22 | N4 | H17 | 59.9° | 60.0° |
| H11 | C22 | C16 | H21 | 70.4° | 180.0° |
| H11 | C22 | C16 | H22 | 170.0° | 60.0° |
| H12 | C22 | N4 | H16 | 60.1° | 64.0° |
| H12 | C22 | N4 | H17 | 179.9° | 60.0° |
| H12 | C22 | C16 | H21 | 49.8° | 60.0° |
| H12 | C22 | C16 | H22 | 69.8° | 180.0° |
| H14 | N2 | C16 | H21 | 172.9° | 119.9° |
| H14 | N2 | C16 | H22 | 67.5° | 120.0° |
| H23 | C18 | C19 | H24 | 0.1° | 0.1° |
| H25 | C23 | H26 | H27 | 120.0° | 120.1° |
