RTF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C20 | doub | 1.21Å | 1.35Å | |
| O21 | C20 | sing | 1.35Å | 1.19Å | |
| C20 | C16 | sing | 1.48Å | 1.46Å | |
| C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | O12 | sing | 1.36Å | 1.40Å | |
| O12 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | N9 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| N9 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | N7 | sing | 1.46Å | 1.47Å | |
| N7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.43Å | Aromatic |
| C5 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | C2 | sing | 1.39Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | O13 | sing | 1.36Å | 1.39Å | |
| O13 | C23 | sing | 1.36Å | 1.39Å | |
| N28 | C23 | doub | 1.32Å | 1.35Å | Aromatic |
| N28 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C29 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C30 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| O21 | H13 | sing | 0.97Å | 0.95Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C20 | O21 | 123.6° | 120.0° |
| O22 | C20 | C16 | 115.3° | 120.0° |
| O21 | C20 | C16 | 121.1° | 120.0° |
| C20 | O21 | H13 | 109.5° | 117.0° |
| C20 | C16 | C17 | 120.1° | 120.1° |
| C20 | C16 | C15 | 120.0° | 120.1° |
| C16 | C17 | C18 | 120.0° | 119.9° |
| C17 | C16 | C15 | 119.8° | 119.8° |
| C16 | C17 | H10 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.3° |
| C18 | C17 | H10 | 120.0° | 120.0° |
| C17 | C18 | H11 | 119.9° | 119.9° |
| C16 | C15 | C14 | 120.5° | 119.8° |
| C16 | C15 | H9 | 119.7° | 120.1° |
| C18 | C19 | C14 | 120.1° | 120.2° |
| C19 | C18 | H11 | 119.9° | 119.9° |
| C18 | C19 | H12 | 119.9° | 119.9° |
| C15 | C14 | C19 | 119.4° | 120.0° |
| C15 | C14 | O12 | 119.0° | 120.0° |
| C14 | C15 | H9 | 119.8° | 120.1° |
| C19 | C14 | O12 | 121.6° | 120.0° |
| C14 | C19 | H12 | 119.9° | 119.8° |
| C14 | O12 | C11 | 111.3° | 117.0° |
| O12 | C11 | C8 | 109.8° | 109.5° |
| O12 | C11 | H7 | 109.4° | 109.4° |
| O12 | C11 | H8 | 109.4° | 109.5° |
| C11 | C8 | N9 | 122.5° | 124.9° |
| C11 | C8 | N7 | 123.3° | 125.0° |
| C8 | C11 | H7 | 109.4° | 109.5° |
| C8 | C11 | H8 | 109.4° | 109.5° |
| N9 | C8 | N7 | 114.1° | 110.1° |
| C8 | N9 | C5 | 106.1° | 109.6° |
| C8 | N7 | C10 | 130.3° | 126.4° |
| C8 | N7 | C6 | 105.9° | 107.3° |
| N9 | C5 | C6 | 106.8° | 107.0° |
| N9 | C5 | C3 | 132.6° | 133.5° |
| C10 | N7 | C6 | 123.8° | 126.3° |
| N7 | C10 | H4 | 109.5° | 109.5° |
| N7 | C10 | H5 | 109.5° | 109.5° |
| N7 | C10 | H6 | 109.4° | 109.5° |
| N7 | C6 | C5 | 107.1° | 106.0° |
| N7 | C6 | C2 | 132.8° | 134.1° |
| C6 | C5 | C3 | 120.6° | 119.6° |
| C5 | C6 | C2 | 120.1° | 119.9° |
| C5 | C3 | C4 | 119.5° | 119.9° |
| C5 | C3 | H2 | 120.3° | 120.1° |
| C6 | C2 | C1 | 119.6° | 119.6° |
| C6 | C2 | H1 | 120.2° | 120.2° |
| C3 | C4 | C1 | 119.9° | 120.6° |
| C4 | C3 | H2 | 120.2° | 120.0° |
| C3 | C4 | H3 | 120.0° | 119.8° |
| C2 | C1 | C4 | 120.3° | 120.4° |
| C2 | C1 | O13 | 119.2° | 119.8° |
| C1 | C2 | H1 | 120.2° | 120.2° |
| C4 | C1 | O13 | 120.4° | 119.8° |
| C1 | C4 | H3 | 120.0° | 119.6° |
| C1 | O13 | C23 | 113.1° | 118.0° |
| O13 | C23 | N28 | 119.8° | 119.7° |
| O13 | C23 | C24 | 117.3° | 119.7° |
| C23 | N28 | C27 | 117.0° | 121.6° |
| N28 | C23 | C24 | 122.9° | 120.7° |
| N28 | C27 | C26 | 124.1° | 120.8° |
| N28 | C27 | H15 | 118.0° | 119.6° |
| C23 | C24 | C29 | 120.5° | 120.5° |
| C23 | C24 | C25 | 118.7° | 119.0° |
| C27 | C26 | C25 | 118.0° | 119.3° |
| C27 | C26 | C30 | 121.0° | 120.3° |
| C26 | C27 | H15 | 117.9° | 119.6° |
| C29 | C24 | C25 | 120.8° | 120.5° |
| C24 | C29 | H16 | 109.5° | 109.5° |
| C24 | C29 | H17 | 109.5° | 109.5° |
| C24 | C29 | H18 | 109.5° | 109.5° |
| C24 | C25 | C26 | 119.3° | 118.5° |
| C24 | C25 | H14 | 120.3° | 120.7° |
| C25 | C26 | C30 | 121.0° | 120.4° |
| C26 | C25 | H14 | 120.3° | 120.8° |
| C26 | C30 | H19 | 109.5° | 109.5° |
| C26 | C30 | H20 | 109.5° | 109.5° |
| C26 | C30 | H21 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H16 | C29 | H18 | 109.4° | 109.4° |
| H17 | C29 | H18 | 109.5° | 109.4° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H19 | C30 | H21 | 109.5° | 109.4° |
| H20 | C30 | H21 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C20 | O21 | C16 | 179.7° | 180.0° |
| O22 | C20 | C16 | C17 | 14.2° | 180.0° |
| O22 | C20 | C16 | C15 | 165.9° | 0.0° |
| O22 | C20 | O21 | H13 | 0.0° | 0.0° |
| O21 | C20 | C16 | C17 | 165.5° | 0.0° |
| O21 | C20 | C16 | C15 | 14.4° | 180.0° |
| C20 | C16 | C17 | C15 | 180.0° | 180.0° |
| C20 | C16 | C17 | C18 | 180.0° | 180.0° |
| C20 | C16 | C15 | C14 | 180.0° | 180.0° |
| C20 | C16 | C15 | H9 | 0.0° | 0.0° |
| C20 | C16 | C17 | H10 | 0.0° | 0.1° |
| C16 | C20 | O21 | H13 | 179.7° | 180.0° |
| C16 | C17 | C18 | H10 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.0° | 0.3° |
| C17 | C16 | C15 | C14 | 0.0° | 0.0° |
| C17 | C16 | C15 | H9 | 180.0° | 180.0° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C17 | C18 | C19 | H11 | 180.0° | 179.8° |
| C17 | C18 | C19 | C14 | 0.0° | 0.5° |
| C17 | C18 | C19 | H12 | 180.0° | 180.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.0° | 0.3° |
| C16 | C15 | C14 | O12 | 180.0° | 179.9° |
| C15 | C16 | C17 | H10 | 180.0° | 179.9° |
| C18 | C19 | C14 | C15 | 0.0° | 0.5° |
| C18 | C19 | C14 | H12 | 180.0° | 179.4° |
| C18 | C19 | C14 | O12 | 180.0° | 179.8° |
| C19 | C18 | C17 | H10 | 180.0° | 179.8° |
| C15 | C14 | C19 | O12 | 180.0° | 179.7° |
| C15 | C14 | O12 | C11 | 174.5° | 180.0° |
| C15 | C14 | C19 | H12 | 180.0° | 180.0° |
| C19 | C14 | O12 | C11 | 5.6° | 0.3° |
| C19 | C14 | C15 | H9 | 180.0° | 179.7° |
| C14 | C19 | C18 | H11 | 180.0° | 179.7° |
| C14 | O12 | C11 | C8 | 94.7° | 180.0° |
| C14 | O12 | C11 | H7 | 145.2° | 60.0° |
| C14 | O12 | C11 | H8 | 25.3° | 60.0° |
| O12 | C14 | C15 | H9 | 0.0° | 0.1° |
| O12 | C14 | C19 | H12 | 0.0° | 0.3° |
| O12 | C11 | C8 | H7 | 120.1° | 119.9° |
| O12 | C11 | C8 | H8 | 120.0° | 120.0° |
| O12 | C11 | C8 | N9 | 131.8° | 90.0° |
| O12 | C11 | C8 | N7 | 48.0° | 90.0° |
| O12 | C11 | H7 | H8 | 119.9° | 120.0° |
| C11 | C8 | N9 | N7 | 179.8° | 180.0° |
| C11 | C8 | N9 | C5 | 179.8° | 180.0° |
| C11 | C8 | N7 | C10 | 0.2° | 0.1° |
| C11 | C8 | N7 | C6 | 179.8° | 180.0° |
| C8 | C11 | H7 | H8 | 119.9° | 120.0° |
| N9 | C8 | N7 | C10 | 180.0° | 180.0° |
| N9 | C8 | N7 | C6 | 0.1° | 0.0° |
| C8 | N9 | C5 | C6 | 0.0° | 0.0° |
| C8 | N9 | C5 | C3 | 179.8° | 180.0° |
| N9 | C8 | C11 | H7 | 108.1° | 150.0° |
| N9 | C8 | C11 | H8 | 11.8° | 30.0° |
| N7 | C8 | N9 | C5 | 0.1° | 0.0° |
| C8 | N7 | C10 | C6 | 179.9° | 179.9° |
| C8 | N7 | C6 | C5 | 0.1° | 0.0° |
| C8 | N7 | C6 | C2 | 179.9° | 179.6° |
| C8 | N7 | C10 | H4 | 180.0° | 90.1° |
| C8 | N7 | C10 | H5 | 60.0° | 30.0° |
| C8 | N7 | C10 | H6 | 60.0° | 149.9° |
| N7 | C8 | C11 | H7 | 72.0° | 29.9° |
| N7 | C8 | C11 | H8 | 168.1° | 149.9° |
| N9 | C5 | C6 | N7 | 0.0° | 0.0° |
| N9 | C5 | C6 | C3 | 179.9° | 180.0° |
| N9 | C5 | C6 | C2 | 179.9° | 179.7° |
| N9 | C5 | C3 | C4 | 179.8° | 179.7° |
| N9 | C5 | C3 | H2 | 0.2° | 0.3° |
| C10 | N7 | C6 | C5 | 180.0° | 180.0° |
| C10 | N7 | C6 | C2 | 0.1° | 0.4° |
| N7 | C10 | H4 | H5 | 120.0° | 120.0° |
| N7 | C10 | H4 | H6 | 120.0° | 120.0° |
| N7 | C10 | H5 | H6 | 120.0° | 120.0° |
| N7 | C6 | C5 | C2 | 179.9° | 179.7° |
| N7 | C6 | C5 | C3 | 179.9° | 180.0° |
| N7 | C6 | C2 | C1 | 179.8° | 179.6° |
| N7 | C6 | C2 | H1 | 0.1° | 0.4° |
| C6 | N7 | C10 | H4 | 0.1° | 90.0° |
| C6 | N7 | C10 | H5 | 119.9° | 150.0° |
| C6 | N7 | C10 | H6 | 120.1° | 30.0° |
| C6 | C5 | C3 | C4 | 0.1° | 0.3° |
| C5 | C6 | C2 | C1 | 0.1° | 0.0° |
| C5 | C6 | C2 | H1 | 179.9° | 180.0° |
| C6 | C5 | C3 | H2 | 180.0° | 179.6° |
| C3 | C5 | C6 | C2 | 0.0° | 0.3° |
| C5 | C3 | C4 | H2 | 180.0° | 180.0° |
| C5 | C3 | C4 | C1 | 0.1° | 0.0° |
| C5 | C3 | C4 | H3 | 179.9° | 180.0° |
| C6 | C2 | C1 | H1 | 180.0° | 180.0° |
| C6 | C2 | C1 | C4 | 0.1° | 0.3° |
| C6 | C2 | C1 | O13 | 179.6° | 180.0° |
| C3 | C4 | C1 | C2 | 0.0° | 0.3° |
| C3 | C4 | C1 | H3 | 180.0° | 180.0° |
| C3 | C4 | C1 | O13 | 179.7° | 180.0° |
| C2 | C1 | C4 | O13 | 179.7° | 179.7° |
| C2 | C1 | O13 | C23 | 111.2° | 70.6° |
| C2 | C1 | C4 | H3 | 180.0° | 179.7° |
| C4 | C1 | O13 | C23 | 69.2° | 109.7° |
| C4 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C4 | C3 | H2 | 179.9° | 180.0° |
| C1 | O13 | C23 | N28 | 28.4° | 5.6° |
| C1 | O13 | C23 | C24 | 151.7° | 174.1° |
| O13 | C1 | C2 | H1 | 0.4° | 0.0° |
| O13 | C1 | C4 | H3 | 0.3° | 0.1° |
| O13 | C23 | N28 | C24 | 179.9° | 179.6° |
| O13 | C23 | N28 | C27 | 180.0° | 179.7° |
| O13 | C23 | C24 | C29 | 0.0° | 0.1° |
| O13 | C23 | C24 | C25 | 179.9° | 180.0° |
| C23 | N28 | C27 | C26 | 0.1° | 0.7° |
| N28 | C23 | C24 | C29 | 179.9° | 179.7° |
| N28 | C23 | C24 | C25 | 0.0° | 0.4° |
| C23 | N28 | C27 | H15 | 179.9° | 179.7° |
| C27 | N28 | C23 | C24 | 0.1° | 0.7° |
| N28 | C27 | C26 | H15 | 180.0° | 179.7° |
| N28 | C27 | C26 | C25 | 0.0° | 0.3° |
| N28 | C27 | C26 | C30 | 179.9° | 179.7° |
| C23 | C24 | C29 | C25 | 179.9° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C23 | C24 | C25 | H14 | 179.9° | 179.9° |
| C23 | C24 | C29 | H16 | 89.9° | 90.0° |
| C23 | C24 | C29 | H17 | 150.1° | 149.9° |
| C23 | C24 | C29 | H18 | 30.1° | 30.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | C30 | 179.9° | 180.0° |
| C27 | C26 | C25 | H14 | 179.9° | 180.0° |
| C27 | C26 | C30 | H19 | 90.0° | 90.0° |
| C27 | C26 | C30 | H20 | 149.9° | 30.0° |
| C27 | C26 | C30 | H21 | 30.0° | 150.0° |
| C29 | C24 | C25 | C26 | 179.9° | 180.0° |
| C29 | C24 | C25 | H14 | 0.0° | 0.0° |
| C24 | C29 | H16 | H17 | 120.0° | 120.1° |
| C24 | C29 | H16 | H18 | 120.0° | 120.0° |
| C24 | C29 | H17 | H18 | 120.0° | 120.0° |
| C24 | C25 | C26 | H14 | 180.0° | 180.0° |
| C24 | C25 | C26 | C30 | 180.0° | 180.0° |
| C25 | C24 | C29 | H16 | 90.0° | 90.1° |
| C25 | C24 | C29 | H17 | 30.0° | 30.0° |
| C25 | C24 | C29 | H18 | 150.1° | 150.0° |
| C25 | C26 | C27 | H15 | 180.0° | 180.0° |
| C25 | C26 | C30 | H19 | 90.0° | 90.0° |
| C25 | C26 | C30 | H20 | 30.0° | 150.0° |
| C25 | C26 | C30 | H21 | 150.0° | 30.0° |
| C30 | C26 | C25 | H14 | 0.0° | 0.0° |
| C30 | C26 | C27 | H15 | 0.1° | 0.0° |
| C26 | C30 | H19 | H20 | 120.0° | 120.0° |
| C26 | C30 | H19 | H21 | 120.0° | 120.0° |
| C26 | C30 | H20 | H21 | 120.0° | 120.0° |
| H2 | C3 | C4 | H3 | 0.0° | 0.1° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H10 | C17 | C18 | H11 | 0.0° | 0.0° |
| H11 | C18 | C19 | H12 | 0.0° | 0.3° |
| H16 | C29 | H17 | H18 | 120.0° | 119.9° |
| H19 | C30 | H20 | H21 | 120.0° | 119.9° |
