6J8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | O22 | sing | 1.43Å | 1.44Å | |
| O22 | C21 | sing | 1.36Å | 1.44Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C11 | N9 | sing | 1.46Å | 1.49Å | |
| O10 | N9 | sing | 1.42Å | 1.40Å | |
| N9 | C4 | sing | 1.35Å | 1.37Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C2 | sing | 1.53Å | 1.56Å | |
| O8 | P5 | doub | 1.48Å | 1.49Å | |
| C4 | O12 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| P5 | C1 | sing | 1.82Å | 1.82Å | |
| P5 | O6 | sing | 1.61Å | 1.51Å | |
| P5 | O7 | sing | 1.61Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| O10 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O22 | C21 | 121.4° | 117.0° |
| O22 | C23 | H19 | 109.5° | 109.5° |
| O22 | C23 | H20 | 109.5° | 109.5° |
| O22 | C23 | H21 | 109.5° | 109.5° |
| O22 | C21 | C20 | 121.1° | 120.1° |
| O22 | C21 | C19 | 119.3° | 120.0° |
| C21 | C20 | C18 | 119.9° | 120.0° |
| C20 | C21 | C19 | 119.6° | 119.9° |
| C21 | C20 | H24 | 120.0° | 120.0° |
| C20 | C18 | C16 | 120.0° | 120.1° |
| C20 | C18 | H18 | 120.0° | 119.9° |
| C18 | C20 | H24 | 120.1° | 120.0° |
| C21 | C19 | C17 | 120.3° | 119.9° |
| C21 | C19 | H23 | 119.9° | 120.0° |
| C18 | C16 | C17 | 119.9° | 120.1° |
| C18 | C16 | C15 | 120.2° | 120.0° |
| C16 | C18 | H18 | 120.0° | 120.0° |
| C19 | C17 | C16 | 120.4° | 120.0° |
| C19 | C17 | H17 | 119.8° | 120.0° |
| C17 | C19 | H23 | 119.9° | 120.0° |
| C17 | C16 | C15 | 119.9° | 119.9° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| C16 | C15 | C14 | 110.5° | 109.5° |
| C16 | C15 | H15 | 109.2° | 109.5° |
| C16 | C15 | H16 | 109.2° | 109.4° |
| C15 | C14 | C13 | 109.5° | 109.5° |
| C15 | C14 | H13 | 109.4° | 109.5° |
| C15 | C14 | H14 | 109.5° | 109.5° |
| C14 | C15 | H15 | 109.2° | 109.5° |
| C14 | C15 | H16 | 109.2° | 109.4° |
| C11 | N9 | O10 | 119.1° | 120.0° |
| C11 | N9 | C4 | 121.9° | 120.0° |
| N9 | C11 | H8 | 109.5° | 109.5° |
| N9 | C11 | H9 | 109.5° | 109.4° |
| N9 | C11 | H10 | 109.4° | 109.5° |
| O10 | N9 | C4 | 119.0° | 120.0° |
| N9 | O10 | H22 | 109.5° | 114.0° |
| N9 | C4 | O12 | 120.6° | 120.0° |
| N9 | C4 | C3 | 121.2° | 120.0° |
| C14 | C13 | C2 | 113.0° | 109.5° |
| C14 | C13 | H11 | 108.6° | 109.5° |
| C14 | C13 | H12 | 108.6° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.4° | 109.5° |
| C13 | C2 | C3 | 111.5° | 109.4° |
| C13 | C2 | C1 | 110.9° | 109.5° |
| C13 | C2 | H3 | 107.7° | 109.5° |
| C2 | C13 | H11 | 108.6° | 109.5° |
| C2 | C13 | H12 | 108.6° | 109.5° |
| O8 | P5 | C1 | 110.0° | 109.5° |
| O8 | P5 | O6 | 109.2° | 109.4° |
| O8 | P5 | O7 | 109.9° | 109.5° |
| O12 | C4 | C3 | 118.2° | 120.0° |
| C4 | C3 | C2 | 109.0° | 109.5° |
| C4 | C3 | H4 | 109.6° | 109.5° |
| C4 | C3 | H5 | 109.6° | 109.5° |
| C3 | C2 | C1 | 110.9° | 109.5° |
| C3 | C2 | H3 | 107.8° | 109.5° |
| C2 | C3 | H4 | 109.6° | 109.4° |
| C2 | C3 | H5 | 109.6° | 109.5° |
| C2 | C1 | P5 | 109.4° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 107.9° | 109.5° |
| C1 | P5 | O6 | 108.6° | 109.5° |
| C1 | P5 | O7 | 109.5° | 109.5° |
| P5 | C1 | H1 | 109.5° | 109.5° |
| P5 | C1 | H2 | 109.5° | 109.5° |
| O6 | P5 | O7 | 109.6° | 109.4° |
| P5 | O6 | H6 | 109.5° | 114.0° |
| P5 | O7 | H7 | 109.5° | 114.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.4° | 109.4° |
| H19 | C23 | H21 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | O22 | C21 | C20 | 23.4° | 0.5° |
| C23 | O22 | C21 | C19 | 158.5° | 180.0° |
| O22 | C23 | H19 | H20 | 120.0° | 120.0° |
| O22 | C23 | H19 | H21 | 120.0° | 120.0° |
| O22 | C23 | H20 | H21 | 120.0° | 120.0° |
| O22 | C21 | C20 | C19 | 178.1° | 179.5° |
| O22 | C21 | C20 | C18 | 179.0° | 179.7° |
| O22 | C21 | C19 | C17 | 179.3° | 180.0° |
| C21 | O22 | C23 | H19 | 180.0° | 60.0° |
| C21 | O22 | C23 | H20 | 60.0° | 60.0° |
| C21 | O22 | C23 | H21 | 60.0° | 180.0° |
| O22 | C21 | C19 | H23 | 0.7° | 0.0° |
| O22 | C21 | C20 | H24 | 1.0° | 0.5° |
| C21 | C20 | C18 | H24 | 180.0° | 179.2° |
| C21 | C20 | C18 | C16 | 0.3° | 0.6° |
| C20 | C21 | C19 | C17 | 1.2° | 0.6° |
| C21 | C20 | C18 | H18 | 179.7° | 179.5° |
| C20 | C21 | C19 | H23 | 178.8° | 179.5° |
| C18 | C20 | C21 | C19 | 0.9° | 0.8° |
| C20 | C18 | C16 | H18 | 180.0° | 179.9° |
| C20 | C18 | C16 | C17 | 0.1° | 0.0° |
| C20 | C18 | C16 | C15 | 179.7° | 179.7° |
| C21 | C19 | C17 | H23 | 180.0° | 179.9° |
| C21 | C19 | C17 | C16 | 0.9° | 0.0° |
| C21 | C19 | C17 | H17 | 179.1° | 180.0° |
| C19 | C21 | C20 | H24 | 179.1° | 180.0° |
| C18 | C16 | C17 | C19 | 0.2° | 0.2° |
| C18 | C16 | C17 | C15 | 179.8° | 179.7° |
| C18 | C16 | C15 | C14 | 105.6° | 90.2° |
| C18 | C16 | C15 | H15 | 14.5° | 149.7° |
| C18 | C16 | C15 | H16 | 134.2° | 29.7° |
| C18 | C16 | C17 | H17 | 179.8° | 179.7° |
| C16 | C18 | C20 | H24 | 179.7° | 179.8° |
| C19 | C17 | C16 | H17 | 180.0° | 180.0° |
| C19 | C17 | C16 | C15 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 74.2° | 90.0° |
| C17 | C16 | C15 | H15 | 165.6° | 30.0° |
| C17 | C16 | C15 | H16 | 45.9° | 150.0° |
| C17 | C16 | C18 | H18 | 179.9° | 179.9° |
| C16 | C17 | C19 | H23 | 179.1° | 179.9° |
| C16 | C15 | C14 | H15 | 120.2° | 120.0° |
| C16 | C15 | C14 | H16 | 120.1° | 120.0° |
| C16 | C15 | C14 | C13 | 73.3° | 180.0° |
| C16 | C15 | C14 | H13 | 166.7° | 59.9° |
| C16 | C15 | C14 | H14 | 46.7° | 60.0° |
| C16 | C15 | H15 | H16 | 119.5° | 120.0° |
| C15 | C16 | C17 | H17 | 0.1° | 0.0° |
| C15 | C16 | C18 | H18 | 0.3° | 0.2° |
| C15 | C14 | C13 | H13 | 120.0° | 120.0° |
| C15 | C14 | C13 | H14 | 120.0° | 120.0° |
| C15 | C14 | C13 | C2 | 177.9° | 180.0° |
| C15 | C14 | C13 | H11 | 57.4° | 60.0° |
| C15 | C14 | C13 | H12 | 61.6° | 60.0° |
| C15 | C14 | H13 | H14 | 120.0° | 120.0° |
| C14 | C15 | H15 | H16 | 119.5° | 120.0° |
| C11 | N9 | O10 | C4 | 179.0° | 180.0° |
| C11 | N9 | C4 | O12 | 179.5° | 0.0° |
| C11 | N9 | C4 | C3 | 3.0° | 179.9° |
| N9 | C11 | H8 | H9 | 120.0° | 120.0° |
| N9 | C11 | H8 | H10 | 120.0° | 120.0° |
| N9 | C11 | H9 | H10 | 120.0° | 119.9° |
| C11 | N9 | O10 | H22 | 179.2° | 179.9° |
| O10 | N9 | C4 | O12 | 0.5° | 180.0° |
| O10 | N9 | C4 | C3 | 178.0° | 0.0° |
| O10 | N9 | C11 | H8 | 180.0° | 90.0° |
| O10 | N9 | C11 | H9 | 60.0° | 30.1° |
| O10 | N9 | C11 | H10 | 60.0° | 150.0° |
| N9 | C4 | O12 | C3 | 177.6° | 180.0° |
| N9 | C4 | C3 | C2 | 96.5° | 175.9° |
| N9 | C4 | C3 | H4 | 23.4° | 55.9° |
| N9 | C4 | C3 | H5 | 143.6° | 64.1° |
| C4 | N9 | C11 | H8 | 1.0° | 90.0° |
| C4 | N9 | C11 | H9 | 121.0° | 150.0° |
| C4 | N9 | C11 | H10 | 119.0° | 30.1° |
| C4 | N9 | O10 | H22 | 0.2° | 0.0° |
| C14 | C13 | C2 | H11 | 120.5° | 120.0° |
| C14 | C13 | C2 | H12 | 120.5° | 120.0° |
| C14 | C13 | C2 | C3 | 59.8° | 175.0° |
| C14 | C13 | C2 | C1 | 64.3° | 65.0° |
| C14 | C13 | C2 | H3 | 177.8° | 55.0° |
| C14 | C13 | H11 | H12 | 118.4° | 120.0° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H15 | 46.9° | 60.0° |
| C13 | C14 | C15 | H16 | 166.6° | 60.0° |
| C13 | C2 | C3 | C4 | 96.3° | 67.0° |
| C13 | C2 | C3 | C1 | 124.1° | 120.0° |
| C13 | C2 | C3 | H3 | 118.0° | 120.0° |
| C13 | C2 | C1 | H3 | 117.7° | 120.0° |
| C13 | C2 | C1 | P5 | 94.2° | 163.5° |
| C13 | C2 | C1 | H1 | 25.7° | 43.6° |
| C13 | C2 | C1 | H2 | 145.8° | 76.5° |
| C13 | C2 | C3 | H4 | 23.6° | 172.9° |
| C13 | C2 | C3 | H5 | 143.7° | 53.0° |
| C2 | C13 | H11 | H12 | 118.4° | 120.0° |
| C2 | C13 | C14 | H13 | 62.1° | 60.0° |
| C2 | C13 | C14 | H14 | 57.9° | 60.0° |
| O8 | P5 | C1 | C2 | 31.2° | 58.4° |
| O8 | P5 | C1 | O6 | 119.5° | 120.0° |
| O8 | P5 | C1 | O7 | 120.8° | 120.0° |
| O8 | P5 | O6 | O7 | 120.5° | 120.0° |
| O8 | P5 | C1 | H1 | 88.7° | 178.4° |
| O8 | P5 | C1 | H2 | 151.2° | 61.6° |
| O8 | P5 | O6 | H6 | 0.0° | 180.0° |
| O8 | P5 | O7 | H7 | 0.0° | 59.9° |
| O12 | C4 | C3 | C2 | 81.0° | 4.1° |
| O12 | C4 | C3 | H4 | 159.1° | 124.1° |
| O12 | C4 | C3 | H5 | 38.9° | 115.9° |
| C4 | C3 | C2 | H4 | 119.9° | 120.0° |
| C4 | C3 | C2 | H5 | 120.0° | 120.0° |
| C4 | C3 | C2 | C1 | 139.5° | 173.0° |
| C4 | C3 | C2 | H3 | 21.6° | 53.0° |
| C4 | C3 | H4 | H5 | 120.3° | 120.0° |
| C3 | C2 | C1 | H3 | 117.8° | 120.0° |
| C3 | C2 | C1 | P5 | 141.3° | 76.5° |
| C3 | C2 | C1 | H1 | 98.7° | 163.5° |
| C3 | C2 | C1 | H2 | 21.4° | 43.5° |
| C2 | C3 | H4 | H5 | 120.2° | 120.0° |
| C3 | C2 | C13 | H11 | 60.8° | 55.0° |
| C3 | C2 | C13 | H12 | 179.7° | 65.0° |
| C2 | C1 | P5 | H1 | 120.0° | 120.0° |
| C2 | C1 | P5 | H2 | 120.0° | 120.0° |
| C2 | C1 | P5 | O6 | 150.7° | 61.6° |
| C2 | C1 | P5 | O7 | 89.6° | 178.5° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | C3 | H4 | 100.5° | 53.0° |
| C1 | C2 | C3 | H5 | 19.6° | 67.0° |
| C1 | C2 | C13 | H11 | 175.1° | 175.0° |
| C1 | C2 | C13 | H12 | 56.2° | 55.0° |
| C1 | P5 | O6 | O7 | 119.6° | 120.0° |
| P5 | C1 | H1 | H2 | 120.0° | 120.0° |
| P5 | C1 | C2 | H3 | 23.5° | 43.5° |
| C1 | P5 | O6 | H6 | 119.9° | 60.0° |
| C1 | P5 | O7 | H7 | 120.9° | 180.0° |
| O6 | P5 | C1 | H1 | 30.7° | 58.4° |
| O6 | P5 | C1 | H2 | 89.3° | 178.4° |
| O6 | P5 | O7 | H7 | 120.0° | 60.0° |
| O7 | P5 | C1 | H1 | 150.4° | 61.6° |
| O7 | P5 | C1 | H2 | 30.4° | 58.4° |
| O7 | P5 | O6 | H6 | 120.5° | 60.0° |
| H1 | C1 | C2 | H3 | 143.5° | 76.5° |
| H2 | C1 | C2 | H3 | 96.5° | 163.5° |
| H3 | C2 | C3 | H4 | 141.5° | 67.1° |
| H3 | C2 | C3 | H5 | 98.3° | 173.0° |
| H3 | C2 | C13 | H11 | 57.2° | 65.0° |
| H3 | C2 | C13 | H12 | 61.7° | 175.0° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H11 | C13 | C14 | H13 | 177.4° | 180.0° |
| H11 | C13 | C14 | H14 | 62.6° | 60.0° |
| H12 | C13 | C14 | H13 | 58.4° | 60.0° |
| H12 | C13 | C14 | H14 | 178.4° | 179.9° |
| H13 | C14 | C15 | H15 | 73.1° | 180.0° |
| H13 | C14 | C15 | H16 | 46.6° | 60.0° |
| H14 | C14 | C15 | H15 | 166.9° | 60.0° |
| H14 | C14 | C15 | H16 | 73.4° | 180.0° |
| H17 | C17 | C19 | H23 | 0.9° | 0.1° |
| H18 | C18 | C20 | H24 | 0.3° | 0.3° |
| H19 | C23 | H20 | H21 | 120.0° | 119.9° |
