O6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C17 | doub | 1.22Å | 1.48Å | |
| O4 | C2 | doub | 1.22Å | 1.15Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C17 | C1 | sing | 1.47Å | 1.34Å | |
| C17 | N18 | sing | 1.35Å | 1.37Å | |
| C2 | C1 | sing | 1.47Å | 1.56Å | |
| C2 | C3 | sing | 1.48Å | 1.53Å | |
| C22 | N18 | sing | 1.47Å | 1.43Å | |
| C1 | C20 | doub | 1.38Å | 1.40Å | |
| N18 | N19 | sing | 1.40Å | 1.38Å | |
| C9 | C3 | doub | 1.39Å | 1.56Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.61Å | Aromatic |
| C3 | C5 | sing | 1.40Å | 1.53Å | Aromatic |
| O16 | C14 | doub | 1.22Å | 1.16Å | |
| C27 | C28 | doub | 1.38Å | 1.52Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.55Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.50Å | Aromatic |
| C20 | N19 | sing | 1.35Å | 1.32Å | |
| C14 | C8 | sing | 1.47Å | 1.54Å | |
| C14 | N13 | sing | 1.35Å | 1.43Å | |
| C8 | C7 | doub | 1.41Å | 1.47Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.53Å | Aromatic |
| F29 | C26 | sing | 1.35Å | 1.43Å | |
| C26 | C25 | doub | 1.38Å | 1.47Å | Aromatic |
| C23 | C15 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | doub | 1.38Å | 1.51Å | Aromatic |
| N13 | C15 | sing | 1.46Å | 1.45Å | |
| N13 | N12 | sing | 1.40Å | 1.47Å | |
| C7 | C6 | sing | 1.40Å | 1.59Å | Aromatic |
| C7 | N11 | sing | 1.36Å | 1.42Å | |
| C25 | C24 | sing | 1.38Å | 1.56Å | Aromatic |
| N12 | N11 | doub | 1.28Å | 1.48Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| N19 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C17 | C1 | 125.9° | 126.7° |
| O21 | C17 | N18 | 126.6° | 126.8° |
| O4 | C2 | C1 | 122.1° | 120.0° |
| O4 | C2 | C3 | 120.3° | 120.0° |
| C10 | C9 | C3 | 118.7° | 120.4° |
| C10 | C9 | C8 | 123.1° | 120.4° |
| C9 | C10 | H1 | 109.5° | 109.5° |
| C9 | C10 | H2 | 109.5° | 109.5° |
| C9 | C10 | H3 | 109.4° | 109.5° |
| C1 | C17 | N18 | 107.5° | 106.5° |
| C17 | C1 | C2 | 126.6° | 126.8° |
| C17 | C1 | C20 | 108.2° | 106.4° |
| C17 | N18 | C22 | 126.6° | 125.7° |
| C17 | N18 | N19 | 108.2° | 108.6° |
| C1 | C2 | C3 | 117.5° | 120.0° |
| C2 | C1 | C20 | 125.2° | 126.8° |
| C2 | C3 | C9 | 123.0° | 119.9° |
| C2 | C3 | C5 | 115.0° | 119.9° |
| C22 | N18 | N19 | 125.2° | 125.7° |
| N18 | C22 | H7 | 109.5° | 109.5° |
| N18 | C22 | H8 | 109.5° | 109.5° |
| N18 | C22 | H9 | 109.5° | 109.5° |
| C1 | C20 | N19 | 108.0° | 108.5° |
| C1 | C20 | H6 | 126.0° | 125.7° |
| N18 | N19 | C20 | 108.1° | 110.0° |
| N18 | N19 | H12 | 109.8° | 125.0° |
| C3 | C9 | C8 | 118.2° | 119.3° |
| C9 | C3 | C5 | 122.0° | 120.2° |
| C9 | C8 | C14 | 122.9° | 121.6° |
| C9 | C8 | C7 | 118.6° | 120.1° |
| C3 | C5 | C6 | 119.3° | 120.8° |
| C3 | C5 | H13 | 120.3° | 119.6° |
| O16 | C14 | C8 | 122.0° | 121.3° |
| O16 | C14 | N13 | 119.4° | 121.3° |
| C28 | C27 | C26 | 119.3° | 120.0° |
| C27 | C28 | C23 | 120.1° | 120.0° |
| C27 | C28 | H11 | 120.0° | 120.0° |
| C28 | C27 | H16 | 120.3° | 119.9° |
| C27 | C26 | F29 | 118.3° | 120.0° |
| C27 | C26 | C25 | 120.6° | 119.9° |
| C26 | C27 | H16 | 120.3° | 120.0° |
| C28 | C23 | C15 | 117.5° | 120.0° |
| C28 | C23 | C24 | 121.0° | 120.1° |
| C23 | C28 | H11 | 119.9° | 120.0° |
| N19 | C20 | H6 | 126.0° | 125.8° |
| C20 | N19 | H12 | 109.8° | 125.0° |
| C8 | C14 | N13 | 118.6° | 117.4° |
| C14 | C8 | C7 | 118.5° | 118.3° |
| C14 | N13 | C15 | 125.1° | 120.0° |
| C14 | N13 | N12 | 120.8° | 120.0° |
| C8 | C7 | C6 | 122.8° | 119.5° |
| C8 | C7 | N11 | 122.0° | 119.3° |
| C5 | C6 | C7 | 119.1° | 120.0° |
| C6 | C5 | H13 | 120.3° | 119.6° |
| C5 | C6 | H14 | 120.4° | 120.0° |
| F29 | C26 | C25 | 121.1° | 120.0° |
| C26 | C25 | C24 | 119.8° | 120.0° |
| C26 | C25 | H15 | 120.1° | 120.0° |
| C15 | C23 | C24 | 121.4° | 120.0° |
| C23 | C15 | N13 | 121.2° | 109.5° |
| C23 | C15 | H4 | 106.5° | 109.5° |
| C23 | C15 | H5 | 106.5° | 109.5° |
| C23 | C24 | C25 | 119.1° | 120.0° |
| C23 | C24 | H10 | 120.4° | 120.0° |
| C15 | N13 | N12 | 114.0° | 120.0° |
| N13 | C15 | H4 | 106.5° | 109.4° |
| N13 | C15 | H5 | 106.5° | 109.5° |
| N13 | N12 | N11 | 120.7° | 123.0° |
| C6 | C7 | N11 | 115.2° | 121.2° |
| C7 | C6 | H14 | 120.4° | 120.0° |
| C7 | N11 | N12 | 119.4° | 122.0° |
| C25 | C24 | H10 | 120.5° | 120.0° |
| C24 | C25 | H15 | 120.1° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.4° |
| H7 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C17 | C1 | N18 | 179.5° | 179.8° |
| O21 | C17 | C1 | C2 | 0.4° | 0.3° |
| O21 | C17 | N18 | C22 | 0.3° | 0.2° |
| O21 | C17 | C1 | C20 | 179.1° | 179.8° |
| O21 | C17 | N18 | N19 | 179.5° | 179.8° |
| O4 | C2 | C1 | C17 | 0.9° | 174.8° |
| O4 | C2 | C1 | C3 | 175.8° | 180.0° |
| O4 | C2 | C1 | C20 | 179.4° | 5.2° |
| O4 | C2 | C3 | C9 | 65.7° | 104.9° |
| O4 | C2 | C3 | C5 | 113.8° | 75.0° |
| C10 | C9 | C3 | C2 | 0.6° | 0.0° |
| C10 | C9 | C3 | C8 | 179.7° | 180.0° |
| C10 | C9 | C3 | C5 | 179.9° | 179.9° |
| C10 | C9 | C8 | C14 | 0.1° | 0.1° |
| C10 | C9 | C8 | C7 | 180.0° | 180.0° |
| C9 | C10 | H1 | H2 | 120.0° | 120.0° |
| C9 | C10 | H1 | H3 | 120.0° | 120.0° |
| C9 | C10 | H2 | H3 | 120.0° | 120.0° |
| C17 | C1 | C2 | C20 | 178.5° | 180.0° |
| C17 | C1 | C2 | C3 | 174.9° | 5.2° |
| C1 | C17 | N18 | C22 | 179.7° | 180.0° |
| C1 | C17 | N18 | N19 | 0.0° | 0.0° |
| C17 | C1 | C20 | N19 | 0.6° | 0.0° |
| C17 | C1 | C20 | H6 | 179.4° | 180.0° |
| N18 | C17 | C1 | C2 | 179.0° | 180.0° |
| C17 | N18 | C22 | N19 | 179.7° | 180.0° |
| N18 | C17 | C1 | C20 | 0.3° | 0.0° |
| C17 | N18 | N19 | C20 | 0.4° | 0.0° |
| C17 | N18 | C22 | H7 | 180.0° | 90.0° |
| C17 | N18 | C22 | H8 | 60.0° | 150.0° |
| C17 | N18 | C22 | H9 | 60.0° | 30.0° |
| C17 | N18 | N19 | H12 | 119.4° | 180.0° |
| C1 | C2 | C3 | C9 | 118.3° | 75.1° |
| C1 | C2 | C3 | C5 | 62.1° | 105.0° |
| C2 | C1 | C20 | N19 | 179.3° | 180.0° |
| C2 | C1 | C20 | H6 | 0.7° | 0.0° |
| C3 | C2 | C1 | C20 | 3.6° | 174.8° |
| C2 | C3 | C9 | C5 | 179.5° | 179.9° |
| C2 | C3 | C9 | C8 | 179.1° | 180.0° |
| C2 | C3 | C5 | C6 | 179.2° | 180.0° |
| C2 | C3 | C5 | H13 | 0.8° | 0.0° |
| C22 | N18 | N19 | C20 | 179.4° | 180.0° |
| N18 | C22 | H7 | H8 | 120.0° | 120.0° |
| N18 | C22 | H7 | H9 | 120.0° | 120.0° |
| N18 | C22 | H8 | H9 | 120.0° | 120.0° |
| C22 | N18 | N19 | H12 | 60.8° | 0.0° |
| C1 | C20 | N19 | N18 | 0.6° | 0.0° |
| C1 | C20 | N19 | H6 | 180.0° | 179.9° |
| C1 | C20 | N19 | H12 | 119.2° | 180.0° |
| N18 | N19 | C20 | H12 | 119.8° | 180.0° |
| N18 | N19 | C20 | H6 | 179.4° | 180.0° |
| N19 | N18 | C22 | H7 | 0.2° | 90.0° |
| N19 | N18 | C22 | H8 | 120.3° | 30.0° |
| N19 | N18 | C22 | H9 | 119.8° | 150.0° |
| C3 | C9 | C8 | C14 | 179.8° | 179.9° |
| C3 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | C3 | C5 | C6 | 0.3° | 0.1° |
| C3 | C9 | C10 | H1 | 90.1° | 95.7° |
| C3 | C9 | C10 | H2 | 149.8° | 144.2° |
| C3 | C9 | C10 | H3 | 29.9° | 24.3° |
| C9 | C3 | C5 | H13 | 179.7° | 180.0° |
| C8 | C9 | C3 | C5 | 0.4° | 0.1° |
| C9 | C8 | C14 | O16 | 0.1° | 0.1° |
| C9 | C8 | C14 | C7 | 179.9° | 179.9° |
| C9 | C8 | C14 | N13 | 179.1° | 179.9° |
| C9 | C8 | C7 | C6 | 0.2° | 0.1° |
| C9 | C8 | C7 | N11 | 179.7° | 180.0° |
| C8 | C9 | C10 | H1 | 90.2° | 84.3° |
| C8 | C9 | C10 | H2 | 29.9° | 35.7° |
| C8 | C9 | C10 | H3 | 149.8° | 155.7° |
| C3 | C5 | C6 | H13 | 180.0° | 180.0° |
| C3 | C5 | C6 | C7 | 0.3° | 0.0° |
| C3 | C5 | C6 | H14 | 179.7° | 179.9° |
| O16 | C14 | C8 | N13 | 179.1° | 180.0° |
| O16 | C14 | C8 | C7 | 179.8° | 180.0° |
| O16 | C14 | N13 | C15 | 2.3° | 0.1° |
| O16 | C14 | N13 | N12 | 179.6° | 180.0° |
| C28 | C27 | C26 | H16 | 180.0° | 179.7° |
| C27 | C28 | C23 | H11 | 180.0° | 179.9° |
| C28 | C27 | C26 | F29 | 179.8° | 179.7° |
| C28 | C27 | C26 | C25 | 0.2° | 0.3° |
| C27 | C28 | C23 | C15 | 178.1° | 180.0° |
| C27 | C28 | C23 | C24 | 1.6° | 0.1° |
| C26 | C27 | C28 | C23 | 0.6° | 0.3° |
| C27 | C26 | F29 | C25 | 179.6° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C26 | C27 | C28 | H11 | 179.4° | 179.7° |
| C27 | C26 | C25 | H15 | 180.0° | 180.0° |
| C28 | C23 | C15 | C24 | 176.5° | 180.0° |
| C28 | C23 | C15 | N13 | 109.9° | 90.1° |
| C28 | C23 | C24 | C25 | 1.9° | 0.2° |
| C28 | C23 | C15 | H4 | 11.7° | 150.0° |
| C28 | C23 | C15 | H5 | 128.5° | 30.0° |
| C28 | C23 | C24 | H10 | 178.1° | 180.0° |
| C23 | C28 | C27 | H16 | 179.4° | 179.9° |
| C8 | C14 | N13 | C15 | 178.7° | 180.0° |
| C8 | C14 | N13 | N12 | 1.3° | 0.0° |
| C14 | C8 | C7 | C6 | 179.8° | 180.0° |
| C14 | C8 | C7 | N11 | 0.2° | 0.0° |
| N13 | C14 | C8 | C7 | 0.8° | 0.0° |
| C14 | N13 | C15 | C23 | 45.8° | 90.0° |
| C14 | N13 | C15 | N12 | 177.5° | 180.0° |
| C14 | N13 | N12 | N11 | 1.3° | 0.0° |
| C14 | N13 | C15 | H4 | 75.8° | 30.0° |
| C14 | N13 | C15 | H5 | 167.4° | 150.0° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | N11 | 180.0° | 180.0° |
| C8 | C7 | N11 | N12 | 0.1° | 0.0° |
| C8 | C7 | C6 | H14 | 179.8° | 180.0° |
| C5 | C6 | C7 | H14 | 180.0° | 180.0° |
| C5 | C6 | C7 | N11 | 179.7° | 180.0° |
| F29 | C26 | C25 | C24 | 179.5° | 180.0° |
| F29 | C26 | C25 | H15 | 0.5° | 0.0° |
| F29 | C26 | C27 | H16 | 0.3° | 0.0° |
| C26 | C25 | C24 | C23 | 1.1° | 0.3° |
| C26 | C25 | C24 | H15 | 180.0° | 180.0° |
| C26 | C25 | C24 | H10 | 178.9° | 180.0° |
| C25 | C26 | C27 | H16 | 179.8° | 180.0° |
| C23 | C15 | N13 | H4 | 121.6° | 120.0° |
| C23 | C15 | N13 | H5 | 121.6° | 120.1° |
| C23 | C15 | N13 | N12 | 136.7° | 90.0° |
| C15 | C23 | C24 | C25 | 178.2° | 179.7° |
| C23 | C15 | H4 | H5 | 114.7° | 120.0° |
| C15 | C23 | C24 | H10 | 1.8° | 0.0° |
| C15 | C23 | C28 | H11 | 1.9° | 0.0° |
| C24 | C23 | C15 | N13 | 73.6° | 90.0° |
| C23 | C24 | C25 | H10 | 180.0° | 179.7° |
| C24 | C23 | C15 | H4 | 164.7° | 30.0° |
| C24 | C23 | C15 | H5 | 48.0° | 150.0° |
| C24 | C23 | C28 | H11 | 178.4° | 180.0° |
| C23 | C24 | C25 | H15 | 179.0° | 179.7° |
| C15 | N13 | N12 | N11 | 178.9° | 180.0° |
| N13 | C15 | H4 | H5 | 114.7° | 120.0° |
| N13 | N12 | N11 | C7 | 0.7° | 0.0° |
| N12 | N13 | C15 | H4 | 101.6° | 150.0° |
| N12 | N13 | C15 | H5 | 15.1° | 30.0° |
| C6 | C7 | N11 | N12 | 179.9° | 180.0° |
| C7 | C6 | C5 | H13 | 179.7° | 180.0° |
| N11 | C7 | C6 | H14 | 0.3° | 0.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H6 | C20 | N19 | H12 | 60.8° | 0.0° |
| H7 | C22 | H8 | H9 | 120.0° | 120.0° |
| H10 | C24 | C25 | H15 | 1.0° | 0.0° |
| H11 | C28 | C27 | H16 | 0.6° | 0.0° |
| H13 | C5 | C6 | H14 | 0.3° | 0.0° |
