0O0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C25 | sing | 1.35Å | 1.40Å | |
| O21 | C1 | doub | 1.22Å | 1.20Å | |
| C18 | C7 | sing | 1.51Å | 1.53Å | |
| C25 | N26 | sing | 1.35Å | 1.33Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.36Å | Aromatic |
| C1 | C24 | sing | 1.47Å | 1.53Å | |
| C1 | C2 | sing | 1.48Å | 1.52Å | |
| C29 | N26 | sing | 1.46Å | 1.43Å | |
| N26 | N27 | sing | 1.40Å | 1.37Å | Aromatic |
| C24 | C28 | sing | 1.42Å | 1.39Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.51Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.55Å | Aromatic |
| O22 | C11 | doub | 1.22Å | 1.19Å | |
| C2 | C3 | sing | 1.40Å | 1.52Å | Aromatic |
| N27 | C28 | doub | 1.30Å | 1.32Å | Aromatic |
| C28 | C31 | sing | 1.51Å | 1.53Å | |
| C11 | C6 | sing | 1.47Å | 1.51Å | |
| C11 | N10 | sing | 1.35Å | 1.45Å | |
| C6 | C5 | doub | 1.41Å | 1.49Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.52Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.52Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.52Å | Aromatic |
| C3 | C4 | doub | 1.37Å | 1.52Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.53Å | Aromatic |
| C12 | N10 | sing | 1.40Å | 1.44Å | |
| C12 | C17 | doub | 1.39Å | 1.51Å | Aromatic |
| N10 | C9 | sing | 1.34Å | 1.49Å | |
| C5 | C4 | sing | 1.39Å | 1.55Å | Aromatic |
| C5 | N8 | sing | 1.38Å | 1.46Å | |
| C16 | C17 | sing | 1.38Å | 1.52Å | Aromatic |
| C17 | C19 | sing | 1.51Å | 1.51Å | |
| C9 | N8 | sing | 1.34Å | 1.48Å | |
| C9 | O23 | doub | 1.22Å | 1.18Å | |
| N8 | C20 | sing | 1.47Å | 1.45Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| O30 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C25 | N26 | 125.9° | 126.4° |
| O30 | C25 | C24 | 126.2° | 126.4° |
| C25 | O30 | H6 | 109.5° | 114.0° |
| O21 | C1 | C24 | 122.0° | 120.1° |
| O21 | C1 | C2 | 119.8° | 120.0° |
| C18 | C7 | C2 | 117.4° | 120.4° |
| C18 | C7 | C6 | 123.8° | 120.4° |
| C7 | C18 | H11 | 109.5° | 109.4° |
| C7 | C18 | H12 | 109.5° | 109.5° |
| C7 | C18 | H13 | 109.5° | 109.5° |
| N26 | C25 | C24 | 107.8° | 107.2° |
| C25 | N26 | C29 | 127.0° | 125.8° |
| C25 | N26 | N27 | 108.7° | 108.5° |
| C25 | C24 | C1 | 123.0° | 126.6° |
| C25 | C24 | C28 | 107.2° | 106.9° |
| C24 | C1 | C2 | 118.0° | 120.0° |
| C1 | C24 | C28 | 129.7° | 126.5° |
| C1 | C2 | C7 | 120.5° | 120.0° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C29 | N26 | N27 | 124.3° | 125.7° |
| N26 | C29 | H17 | 109.5° | 109.5° |
| N26 | C29 | H18 | 109.5° | 109.5° |
| N26 | C29 | H19 | 109.5° | 109.5° |
| N26 | N27 | C28 | 108.5° | 109.2° |
| C24 | C28 | N27 | 107.7° | 108.1° |
| C24 | C28 | C31 | 131.3° | 125.9° |
| C2 | C7 | C6 | 118.8° | 119.3° |
| C7 | C2 | C3 | 121.3° | 120.1° |
| C7 | C6 | C11 | 121.1° | 121.7° |
| C7 | C6 | C5 | 119.9° | 120.1° |
| O22 | C11 | C6 | 122.7° | 120.9° |
| O22 | C11 | N10 | 118.5° | 120.9° |
| C2 | C3 | C4 | 120.4° | 120.6° |
| C2 | C3 | H7 | 119.8° | 119.7° |
| N27 | C28 | C31 | 121.0° | 126.0° |
| C28 | C31 | H20 | 109.5° | 109.5° |
| C28 | C31 | H21 | 109.4° | 109.5° |
| C28 | C31 | H22 | 109.5° | 109.5° |
| C6 | C11 | N10 | 118.8° | 118.2° |
| C11 | C6 | C5 | 119.0° | 118.3° |
| C11 | N10 | C12 | 119.2° | 119.4° |
| C11 | N10 | C9 | 121.8° | 121.2° |
| C6 | C5 | C4 | 121.5° | 119.9° |
| C6 | C5 | N8 | 121.5° | 118.7° |
| C13 | C14 | C15 | 119.5° | 120.1° |
| C14 | C13 | C12 | 119.0° | 119.9° |
| C14 | C13 | H1 | 120.5° | 120.0° |
| C13 | C14 | H9 | 120.3° | 120.0° |
| C14 | C15 | C16 | 121.2° | 120.1° |
| C14 | C15 | H2 | 119.4° | 119.9° |
| C15 | C14 | H9 | 120.3° | 120.0° |
| C13 | C12 | N10 | 115.7° | 120.1° |
| C13 | C12 | C17 | 121.7° | 119.9° |
| C12 | C13 | H1 | 120.5° | 120.0° |
| C3 | C4 | C5 | 118.1° | 120.1° |
| C4 | C3 | H7 | 119.8° | 119.7° |
| C3 | C4 | H8 | 121.0° | 120.0° |
| C15 | C16 | C17 | 119.0° | 120.1° |
| C16 | C15 | H2 | 119.4° | 120.0° |
| C15 | C16 | H10 | 120.5° | 119.9° |
| N10 | C12 | C17 | 122.5° | 120.0° |
| C12 | N10 | C9 | 118.9° | 119.4° |
| C12 | C17 | C16 | 119.5° | 119.9° |
| C12 | C17 | C19 | 118.6° | 120.1° |
| N10 | C9 | N8 | 119.5° | 122.9° |
| N10 | C9 | O23 | 119.9° | 118.5° |
| C4 | C5 | N8 | 116.9° | 121.4° |
| C5 | C4 | H8 | 121.0° | 119.9° |
| C5 | N8 | C9 | 119.3° | 120.7° |
| C5 | N8 | C20 | 120.1° | 119.6° |
| C16 | C17 | C19 | 121.9° | 120.0° |
| C17 | C16 | H10 | 120.5° | 120.0° |
| C17 | C19 | H14 | 109.5° | 109.5° |
| C17 | C19 | H15 | 109.4° | 109.5° |
| C17 | C19 | H16 | 109.4° | 109.4° |
| N8 | C9 | O23 | 120.6° | 118.5° |
| C9 | N8 | C20 | 120.6° | 119.6° |
| N8 | C20 | H3 | 109.5° | 109.5° |
| N8 | C20 | H4 | 109.5° | 109.4° |
| N8 | C20 | H5 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.4° | 109.5° |
| H3 | C20 | H5 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H11 | C18 | H13 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.4° | 109.5° |
| H14 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.4° |
| H17 | C29 | H18 | 109.5° | 109.5° |
| H17 | C29 | H19 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.4° |
| H20 | C31 | H21 | 109.5° | 109.5° |
| H20 | C31 | H22 | 109.4° | 109.4° |
| H21 | C31 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C25 | N26 | C24 | 179.5° | 179.8° |
| O30 | C25 | C24 | C1 | 3.0° | 0.1° |
| O30 | C25 | N26 | C29 | 0.4° | 0.2° |
| O30 | C25 | N26 | N27 | 179.4° | 180.0° |
| O30 | C25 | C24 | C28 | 179.8° | 179.8° |
| O21 | C1 | C24 | C25 | 3.4° | 89.5° |
| O21 | C1 | C24 | C2 | 174.1° | 179.9° |
| O21 | C1 | C24 | C28 | 179.9° | 90.0° |
| O21 | C1 | C2 | C7 | 77.9° | 6.6° |
| O21 | C1 | C2 | C3 | 103.4° | 173.6° |
| C18 | C7 | C2 | C1 | 0.8° | 0.0° |
| C18 | C7 | C2 | C6 | 179.9° | 179.8° |
| C18 | C7 | C2 | C3 | 179.4° | 179.7° |
| C18 | C7 | C6 | C11 | 0.2° | 0.0° |
| C18 | C7 | C6 | C5 | 179.9° | 179.7° |
| C7 | C18 | H11 | H12 | 120.0° | 120.0° |
| C7 | C18 | H11 | H13 | 120.0° | 120.0° |
| C7 | C18 | H12 | H13 | 120.0° | 120.1° |
| N26 | C25 | C24 | C1 | 177.5° | 179.7° |
| C25 | N26 | C29 | N27 | 179.7° | 179.8° |
| N26 | C25 | C24 | C28 | 0.3° | 0.0° |
| C25 | N26 | N27 | C28 | 0.6° | 0.4° |
| C25 | N26 | C29 | H17 | 179.7° | 90.0° |
| C25 | N26 | C29 | H18 | 59.7° | 150.0° |
| C25 | N26 | C29 | H19 | 60.3° | 30.1° |
| N26 | C25 | O30 | H6 | 179.3° | 84.9° |
| C25 | C24 | C1 | C28 | 176.5° | 179.6° |
| C25 | C24 | C1 | C2 | 170.7° | 90.4° |
| C24 | C25 | N26 | C29 | 179.9° | 180.0° |
| C24 | C25 | N26 | N27 | 0.2° | 0.2° |
| C25 | C24 | C28 | N27 | 0.7° | 0.3° |
| C25 | C24 | C28 | C31 | 179.7° | 179.8° |
| C24 | C25 | O30 | H6 | 1.3° | 95.4° |
| C24 | C1 | C2 | C7 | 107.8° | 173.4° |
| C24 | C1 | C2 | C3 | 70.8° | 6.3° |
| C1 | C24 | C28 | N27 | 177.6° | 179.9° |
| C1 | C24 | C28 | C31 | 3.4° | 0.1° |
| C2 | C1 | C24 | C28 | 5.8° | 90.0° |
| C1 | C2 | C7 | C3 | 178.6° | 179.8° |
| C1 | C2 | C7 | C6 | 179.3° | 179.8° |
| C1 | C2 | C3 | C4 | 179.3° | 180.0° |
| C1 | C2 | C3 | H7 | 0.7° | 0.0° |
| C29 | N26 | N27 | C28 | 179.6° | 179.8° |
| N26 | C29 | H17 | H18 | 120.0° | 120.0° |
| N26 | C29 | H17 | H19 | 120.0° | 120.0° |
| N26 | C29 | H18 | H19 | 120.0° | 120.0° |
| N26 | N27 | C28 | C24 | 0.8° | 0.4° |
| N26 | N27 | C28 | C31 | 179.9° | 179.6° |
| N27 | N26 | C29 | H17 | 0.0° | 90.3° |
| N27 | N26 | C29 | H18 | 120.0° | 29.8° |
| N27 | N26 | C29 | H19 | 120.0° | 149.7° |
| C24 | C28 | N27 | C31 | 179.1° | 179.9° |
| C24 | C28 | C31 | H20 | 178.9° | 90.0° |
| C24 | C28 | C31 | H21 | 61.1° | 150.0° |
| C24 | C28 | C31 | H22 | 58.9° | 30.0° |
| C2 | C7 | C6 | C11 | 179.7° | 179.8° |
| C2 | C7 | C6 | C5 | 0.1° | 0.5° |
| C7 | C2 | C3 | C4 | 0.7° | 0.2° |
| C7 | C2 | C3 | H7 | 179.3° | 179.8° |
| C2 | C7 | C18 | H11 | 90.1° | 85.5° |
| C2 | C7 | C18 | H12 | 149.9° | 154.5° |
| C2 | C7 | C18 | H13 | 30.0° | 34.4° |
| C7 | C6 | C11 | O22 | 0.5° | 0.3° |
| C6 | C7 | C2 | C3 | 0.7° | 0.5° |
| C7 | C6 | C11 | C5 | 179.8° | 179.7° |
| C7 | C6 | C11 | N10 | 179.7° | 179.7° |
| C7 | C6 | C5 | C4 | 0.5° | 0.2° |
| C7 | C6 | C5 | N8 | 179.7° | 179.7° |
| C6 | C7 | C18 | H11 | 90.1° | 94.3° |
| C6 | C7 | C18 | H12 | 29.9° | 25.7° |
| C6 | C7 | C18 | H13 | 149.9° | 145.8° |
| O22 | C11 | C6 | N10 | 179.2° | 180.0° |
| O22 | C11 | C6 | C5 | 179.8° | 180.0° |
| O22 | C11 | N10 | C12 | 2.8° | 0.0° |
| O22 | C11 | N10 | C9 | 179.8° | 180.0° |
| C2 | C3 | C4 | H7 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H8 | 179.9° | 180.0° |
| N27 | C28 | C31 | H20 | 0.0° | 90.0° |
| N27 | C28 | C31 | H21 | 120.0° | 30.0° |
| N27 | C28 | C31 | H22 | 120.0° | 150.1° |
| C28 | C31 | H20 | H21 | 120.0° | 120.0° |
| C28 | C31 | H20 | H22 | 120.0° | 120.0° |
| C28 | C31 | H21 | H22 | 120.0° | 120.1° |
| C6 | C11 | N10 | C12 | 178.0° | 180.0° |
| C6 | C11 | N10 | C9 | 0.9° | 0.1° |
| C11 | C6 | C5 | C4 | 179.7° | 180.0° |
| C11 | C6 | C5 | N8 | 0.5° | 0.1° |
| N10 | C11 | C6 | C5 | 0.5° | 0.0° |
| C11 | N10 | C12 | C13 | 96.1° | 90.1° |
| C11 | N10 | C12 | C9 | 177.1° | 180.0° |
| C11 | N10 | C12 | C17 | 83.9° | 90.0° |
| C11 | N10 | C9 | N8 | 1.2° | 0.0° |
| C11 | N10 | C9 | O23 | 179.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C6 | C5 | C4 | N8 | 179.2° | 179.9° |
| C6 | C5 | N8 | C9 | 0.8° | 0.1° |
| C6 | C5 | N8 | C20 | 179.9° | 180.0° |
| C6 | C5 | C4 | H8 | 179.5° | 180.0° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.6° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C12 | N10 | 179.8° | 179.8° |
| C14 | C13 | C12 | C17 | 0.1° | 0.3° |
| C13 | C14 | C15 | H2 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C14 | C15 | C16 | H2 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C15 | C14 | C13 | H1 | 179.9° | 179.7° |
| C14 | C15 | C16 | H10 | 179.9° | 179.6° |
| C13 | C12 | N10 | C17 | 180.0° | 179.9° |
| C13 | C12 | N10 | C9 | 81.0° | 90.0° |
| C13 | C12 | C17 | C16 | 0.1° | 0.5° |
| C13 | C12 | C17 | C19 | 180.0° | 180.0° |
| C12 | C13 | C14 | H9 | 179.9° | 180.0° |
| C3 | C4 | C5 | H8 | 180.0° | 179.9° |
| C3 | C4 | C5 | N8 | 179.8° | 179.9° |
| C15 | C16 | C17 | C12 | 0.0° | 0.5° |
| C15 | C16 | C17 | H10 | 180.0° | 179.9° |
| C15 | C16 | C17 | C19 | 179.9° | 180.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| N10 | C12 | C17 | C16 | 179.9° | 179.5° |
| N10 | C12 | C17 | C19 | 0.0° | 0.0° |
| C12 | N10 | C9 | N8 | 178.3° | 180.0° |
| C12 | N10 | C9 | O23 | 2.6° | 0.1° |
| N10 | C12 | C13 | H1 | 0.2° | 0.1° |
| C17 | C12 | N10 | C9 | 99.0° | 89.9° |
| C12 | C17 | C16 | C19 | 179.9° | 179.5° |
| C17 | C12 | C13 | H1 | 179.8° | 179.9° |
| C12 | C17 | C16 | H10 | 180.0° | 179.4° |
| C12 | C17 | C19 | H14 | 90.1° | 90.0° |
| C12 | C17 | C19 | H15 | 150.0° | 150.0° |
| C12 | C17 | C19 | H16 | 30.0° | 30.0° |
| N10 | C9 | N8 | C5 | 1.1° | 0.0° |
| N10 | C9 | N8 | O23 | 179.1° | 179.9° |
| N10 | C9 | N8 | C20 | 179.6° | 179.9° |
| C4 | C5 | N8 | C9 | 180.0° | 180.0° |
| C4 | C5 | N8 | C20 | 0.7° | 0.1° |
| C5 | C4 | C3 | H7 | 179.9° | 180.0° |
| C5 | N8 | C9 | C20 | 179.3° | 179.9° |
| C5 | N8 | C9 | O23 | 179.7° | 179.9° |
| C5 | N8 | C20 | H3 | 180.0° | 90.1° |
| C5 | N8 | C20 | H4 | 60.0° | 150.0° |
| C5 | N8 | C20 | H5 | 60.0° | 30.0° |
| N8 | C5 | C4 | H8 | 0.2° | 0.1° |
| C17 | C16 | C15 | H2 | 179.9° | 180.0° |
| C16 | C17 | C19 | H14 | 90.0° | 89.5° |
| C16 | C17 | C19 | H15 | 29.9° | 30.5° |
| C16 | C17 | C19 | H16 | 149.9° | 150.5° |
| C19 | C17 | C16 | H10 | 0.1° | 0.1° |
| C17 | C19 | H14 | H15 | 120.0° | 120.0° |
| C17 | C19 | H14 | H16 | 120.0° | 120.0° |
| C17 | C19 | H15 | H16 | 120.0° | 119.9° |
| C9 | N8 | C20 | H3 | 0.8° | 90.0° |
| C9 | N8 | C20 | H4 | 120.8° | 29.9° |
| C9 | N8 | C20 | H5 | 119.2° | 149.9° |
| O23 | C9 | N8 | C20 | 0.5° | 0.0° |
| N8 | C20 | H3 | H4 | 120.0° | 119.9° |
| N8 | C20 | H3 | H5 | 120.0° | 120.0° |
| N8 | C20 | H4 | H5 | 120.0° | 120.0° |
| H1 | C13 | C14 | H9 | 0.1° | 0.3° |
| H2 | C15 | C14 | H9 | 0.0° | 0.3° |
| H2 | C15 | C16 | H10 | 0.1° | 0.0° |
| H3 | C20 | H4 | H5 | 120.0° | 120.1° |
| H7 | C3 | C4 | H8 | 0.1° | 0.0° |
| H11 | C18 | H12 | H13 | 120.0° | 120.0° |
| H14 | C19 | H15 | H16 | 120.0° | 120.1° |
| H17 | C29 | H18 | H19 | 120.0° | 120.0° |
| H20 | C31 | H21 | H22 | 120.0° | 119.9° |
