0LD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | N9 | sing | 1.42Å | 1.42Å | |
| O5 | C2 | doub | 1.22Å | 1.22Å | |
| N9 | C2 | sing | 1.34Å | 1.39Å | |
| N9 | C22 | sing | 1.39Å | 1.37Å | |
| C2 | C3 | sing | 1.46Å | 1.52Å | |
| C1 | C15 | sing | 1.51Å | 1.50Å | |
| N10 | C22 | doub | 1.31Å | 1.33Å | Aromatic |
| N10 | N11 | sing | 1.40Å | 1.35Å | Aromatic |
| C22 | C20 | sing | 1.46Å | 1.40Å | Aromatic |
| O26 | C17 | sing | 1.36Å | 1.38Å | |
| C3 | N8 | sing | 1.40Å | 1.38Å | |
| C3 | C4 | doub | 1.36Å | 1.35Å | |
| N8 | C14 | sing | 1.47Å | 1.46Å | |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | N12 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| N11 | C28 | sing | 1.40Å | 1.40Å | |
| N11 | C16 | sing | 1.35Å | 1.37Å | Aromatic |
| C20 | C4 | sing | 1.46Å | 1.41Å | |
| C20 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| N12 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| C18 | C14 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | O24 | sing | 1.43Å | 1.43Å | |
| O24 | P23 | sing | 1.61Å | 1.64Å | |
| P23 | O27 | doub | 1.48Å | 1.51Å | |
| P23 | O7 | sing | 1.61Å | 1.51Å | |
| P23 | O6 | sing | 1.61Å | 1.50Å | |
| C33 | H1 | sing | 1.08Å | 1.08Å | |
| C32 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C31 | H8 | sing | 1.08Å | 1.08Å | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| N8 | H16 | sing | 0.97Å | 1.00Å | |
| O6 | H17 | sing | 0.97Å | 0.95Å | |
| O7 | H18 | sing | 0.97Å | 0.95Å | |
| O26 | H19 | sing | 0.97Å | 0.95Å | |
| O25 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | N9 | C2 | 118.6° | 119.6° |
| O25 | N9 | C22 | 118.4° | 119.5° |
| N9 | O25 | H20 | 109.5° | 114.0° |
| O5 | C2 | N9 | 121.8° | 119.1° |
| O5 | C2 | C3 | 120.8° | 119.1° |
| C2 | N9 | C22 | 122.9° | 121.0° |
| N9 | C2 | C3 | 117.4° | 121.8° |
| N9 | C22 | N10 | 129.4° | 133.7° |
| N9 | C22 | C20 | 118.6° | 119.3° |
| C2 | C3 | N8 | 116.2° | 119.9° |
| C2 | C3 | C4 | 118.2° | 120.3° |
| C1 | C15 | C17 | 120.1° | 119.6° |
| C1 | C15 | N12 | 117.4° | 119.6° |
| C15 | C1 | H11 | 109.5° | 109.4° |
| C15 | C1 | H12 | 109.5° | 109.5° |
| C15 | C1 | H13 | 109.4° | 109.5° |
| C22 | N10 | N11 | 103.4° | 109.1° |
| N10 | C22 | C20 | 111.9° | 107.0° |
| N10 | N11 | C28 | 120.9° | 125.1° |
| N10 | N11 | C16 | 114.0° | 109.7° |
| C22 | C20 | C4 | 121.5° | 119.0° |
| C22 | C20 | C16 | 106.1° | 106.7° |
| O26 | C17 | C15 | 118.1° | 120.5° |
| O26 | C17 | C18 | 121.6° | 120.5° |
| C17 | O26 | H19 | 109.5° | 114.0° |
| N8 | C3 | C4 | 125.5° | 119.8° |
| C3 | N8 | C14 | 122.6° | 120.0° |
| C3 | N8 | H16 | 106.1° | 120.0° |
| C3 | C4 | C20 | 121.2° | 118.5° |
| C3 | C4 | H3 | 119.4° | 120.7° |
| N8 | C14 | C18 | 112.5° | 109.5° |
| N8 | C14 | H14 | 108.7° | 109.4° |
| N8 | C14 | H15 | 108.7° | 109.5° |
| C14 | N8 | H16 | 106.1° | 120.0° |
| C32 | C33 | C28 | 119.4° | 119.9° |
| C33 | C32 | C31 | 119.9° | 120.1° |
| C32 | C33 | H1 | 120.3° | 120.1° |
| C33 | C32 | H2 | 120.1° | 119.9° |
| C33 | C28 | N11 | 119.5° | 120.1° |
| C33 | C28 | C29 | 121.2° | 119.8° |
| C28 | C33 | H1 | 120.3° | 120.0° |
| C17 | C15 | N12 | 122.5° | 120.7° |
| C15 | C17 | C18 | 120.3° | 119.0° |
| C15 | N12 | C21 | 116.1° | 121.8° |
| C17 | C18 | C14 | 121.2° | 120.8° |
| C17 | C18 | C19 | 118.2° | 118.4° |
| C28 | N11 | C16 | 125.0° | 125.2° |
| N11 | C28 | C29 | 119.2° | 120.1° |
| N11 | C16 | C20 | 104.5° | 107.5° |
| N11 | C16 | H7 | 127.8° | 126.2° |
| C4 | C20 | C16 | 132.3° | 134.3° |
| C20 | C4 | H3 | 119.4° | 120.7° |
| C20 | C16 | H7 | 127.8° | 126.2° |
| C32 | C31 | C30 | 120.4° | 120.2° |
| C31 | C32 | H2 | 120.1° | 120.0° |
| C32 | C31 | H8 | 119.8° | 119.9° |
| C28 | C29 | C30 | 119.2° | 120.0° |
| C28 | C29 | H10 | 120.4° | 120.0° |
| N12 | C21 | C19 | 125.8° | 120.9° |
| N12 | C21 | H6 | 117.1° | 119.6° |
| C14 | C18 | C19 | 120.6° | 120.8° |
| C18 | C14 | H14 | 108.7° | 109.5° |
| C18 | C14 | H15 | 108.7° | 109.5° |
| C18 | C19 | C21 | 117.1° | 119.2° |
| C18 | C19 | C13 | 123.7° | 120.4° |
| C31 | C30 | C29 | 119.9° | 120.0° |
| C30 | C31 | H8 | 119.8° | 119.9° |
| C31 | C30 | H9 | 120.1° | 120.0° |
| C29 | C30 | H9 | 120.0° | 119.9° |
| C30 | C29 | H10 | 120.4° | 120.0° |
| C21 | C19 | C13 | 119.2° | 120.4° |
| C19 | C21 | H6 | 117.1° | 119.5° |
| C19 | C13 | O24 | 109.5° | 109.5° |
| C19 | C13 | H4 | 109.5° | 109.5° |
| C19 | C13 | H5 | 109.5° | 109.5° |
| C13 | O24 | P23 | 121.3° | 123.0° |
| O24 | C13 | H4 | 109.5° | 109.5° |
| O24 | C13 | H5 | 109.5° | 109.4° |
| O24 | P23 | O27 | 104.7° | 109.5° |
| O24 | P23 | O7 | 109.9° | 109.5° |
| O24 | P23 | O6 | 100.8° | 109.5° |
| O27 | P23 | O7 | 113.3° | 109.5° |
| O27 | P23 | O6 | 113.9° | 109.5° |
| O7 | P23 | O6 | 113.0° | 109.4° |
| P23 | O7 | H18 | 109.5° | 113.9° |
| P23 | O6 | H17 | 109.5° | 114.0° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | N9 | C2 | O5 | 2.6° | 0.1° |
| O25 | N9 | C2 | C22 | 178.7° | 179.6° |
| O25 | N9 | C2 | C3 | 176.8° | 180.0° |
| O25 | N9 | C22 | N10 | 2.4° | 0.0° |
| O25 | N9 | C22 | C20 | 177.0° | 180.0° |
| O5 | C2 | N9 | C3 | 179.4° | 179.9° |
| O5 | C2 | N9 | C22 | 178.8° | 179.7° |
| O5 | C2 | C3 | N8 | 0.4° | 0.1° |
| O5 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | N9 | C22 | N10 | 179.0° | 179.6° |
| C2 | N9 | C22 | C20 | 1.6° | 0.4° |
| N9 | C2 | C3 | N8 | 179.0° | 180.0° |
| N9 | C2 | C3 | C4 | 0.7° | 0.1° |
| C2 | N9 | O25 | H20 | 1.2° | 0.0° |
| C22 | N9 | C2 | C3 | 1.8° | 0.4° |
| N9 | C22 | N10 | C20 | 179.4° | 180.0° |
| N9 | C22 | N10 | N11 | 179.6° | 180.0° |
| N9 | C22 | C20 | C4 | 0.2° | 0.0° |
| N9 | C22 | C20 | C16 | 179.3° | 180.0° |
| C22 | N9 | O25 | H20 | 179.9° | 179.6° |
| C2 | C3 | N8 | C4 | 179.7° | 179.9° |
| C2 | C3 | N8 | C14 | 177.1° | 0.1° |
| C2 | C3 | C4 | C20 | 0.6° | 0.2° |
| C2 | C3 | C4 | H3 | 179.4° | 179.9° |
| C2 | C3 | N8 | H16 | 55.3° | 180.0° |
| C1 | C15 | C17 | O26 | 0.6° | 0.5° |
| C1 | C15 | C17 | N12 | 178.9° | 179.2° |
| C1 | C15 | C17 | C18 | 179.6° | 180.0° |
| C1 | C15 | N12 | C21 | 179.9° | 179.7° |
| C15 | C1 | H11 | H12 | 120.0° | 120.0° |
| C15 | C1 | H11 | H13 | 120.0° | 120.0° |
| C15 | C1 | H12 | H13 | 120.0° | 120.0° |
| C22 | N10 | N11 | C28 | 178.8° | 180.0° |
| C22 | N10 | N11 | C16 | 0.5° | 0.0° |
| N10 | C22 | C20 | C4 | 179.7° | 180.0° |
| N10 | C22 | C20 | C16 | 0.2° | 0.0° |
| N11 | N10 | C22 | C20 | 0.2° | 0.0° |
| N10 | N11 | C28 | C33 | 37.7° | 0.0° |
| N10 | N11 | C28 | C16 | 179.3° | 180.0° |
| N10 | N11 | C16 | C20 | 0.7° | 0.0° |
| N10 | N11 | C28 | C29 | 143.7° | 179.9° |
| N10 | N11 | C16 | H7 | 179.4° | 180.0° |
| C22 | C20 | C4 | C3 | 0.9° | 0.3° |
| C22 | C20 | C16 | N11 | 0.5° | 0.0° |
| C22 | C20 | C4 | C16 | 179.4° | 180.0° |
| C22 | C20 | C4 | H3 | 179.2° | 179.9° |
| C22 | C20 | C16 | H7 | 179.5° | 180.0° |
| O26 | C17 | C15 | C18 | 179.0° | 179.5° |
| O26 | C17 | C15 | N12 | 179.5° | 179.8° |
| O26 | C17 | C18 | C14 | 0.6° | 0.0° |
| O26 | C17 | C18 | C19 | 179.8° | 180.0° |
| C3 | N8 | C14 | H16 | 121.8° | 179.9° |
| N8 | C3 | C4 | C20 | 179.7° | 179.7° |
| C3 | N8 | C14 | C18 | 145.9° | 180.0° |
| N8 | C3 | C4 | H3 | 0.3° | 0.0° |
| C3 | N8 | C14 | H14 | 25.4° | 60.1° |
| C3 | N8 | C14 | H15 | 93.7° | 59.9° |
| C4 | C3 | N8 | C14 | 3.2° | 180.0° |
| C3 | C4 | C20 | H3 | 180.0° | 179.7° |
| C3 | C4 | C20 | C16 | 179.8° | 179.7° |
| C4 | C3 | N8 | H16 | 125.1° | 0.1° |
| N8 | C14 | C18 | C17 | 40.6° | 90.0° |
| N8 | C14 | C18 | H14 | 120.5° | 119.9° |
| N8 | C14 | C18 | H15 | 120.5° | 120.1° |
| N8 | C14 | C18 | C19 | 138.6° | 90.0° |
| N8 | C14 | H14 | H15 | 118.6° | 120.0° |
| C32 | C33 | C28 | H1 | 180.0° | 179.7° |
| C32 | C33 | C28 | N11 | 177.5° | 180.0° |
| C33 | C32 | C31 | H2 | 180.0° | 180.0° |
| C32 | C33 | C28 | C29 | 1.1° | 0.0° |
| C33 | C32 | C31 | C30 | 0.2° | 0.0° |
| C33 | C32 | C31 | H8 | 179.8° | 180.0° |
| C33 | C28 | N11 | C29 | 178.6° | 180.0° |
| C33 | C28 | N11 | C16 | 141.6° | 180.0° |
| C28 | C33 | C32 | C31 | 0.8° | 0.0° |
| C33 | C28 | C29 | C30 | 0.3° | 0.0° |
| C28 | C33 | C32 | H2 | 179.2° | 180.0° |
| C33 | C28 | C29 | H10 | 179.7° | 179.9° |
| C17 | C15 | N12 | C21 | 1.0° | 0.5° |
| C15 | C17 | C18 | C14 | 178.4° | 179.5° |
| C15 | C17 | C18 | C19 | 0.8° | 0.5° |
| C17 | C15 | C1 | H11 | 178.9° | 90.0° |
| C17 | C15 | C1 | H12 | 58.9° | 150.0° |
| C17 | C15 | C1 | H13 | 61.1° | 30.0° |
| C15 | C17 | O26 | H19 | 180.0° | 89.5° |
| N12 | C15 | C17 | C18 | 1.5° | 0.7° |
| C15 | N12 | C21 | C19 | 0.1° | 0.0° |
| C15 | N12 | C21 | H6 | 179.9° | 179.7° |
| N12 | C15 | C1 | H11 | 0.0° | 90.7° |
| N12 | C15 | C1 | H12 | 120.0° | 29.3° |
| N12 | C15 | C1 | H13 | 120.0° | 149.3° |
| C17 | C18 | C14 | C19 | 179.2° | 180.0° |
| C17 | C18 | C19 | C21 | 0.2° | 0.0° |
| C17 | C18 | C19 | C13 | 178.5° | 180.0° |
| C17 | C18 | C14 | H14 | 161.1° | 30.0° |
| C17 | C18 | C14 | H15 | 79.8° | 150.0° |
| C18 | C17 | O26 | H19 | 1.0° | 90.0° |
| C28 | N11 | C16 | C20 | 178.7° | 180.0° |
| N11 | C28 | C29 | C30 | 178.3° | 180.0° |
| N11 | C28 | C33 | H1 | 2.5° | 0.3° |
| C28 | N11 | C16 | H7 | 1.3° | 0.0° |
| N11 | C28 | C29 | H10 | 1.7° | 0.1° |
| N11 | C16 | C20 | C4 | 180.0° | 180.0° |
| N11 | C16 | C20 | H7 | 180.0° | 180.0° |
| C16 | N11 | C28 | C29 | 37.0° | 0.0° |
| C4 | C20 | C16 | H7 | 0.1° | 0.1° |
| C16 | C20 | C4 | H3 | 0.2° | 0.0° |
| C32 | C31 | C30 | H8 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 1.0° | 0.0° |
| C31 | C32 | C33 | H1 | 179.2° | 179.7° |
| C32 | C31 | C30 | H9 | 179.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C28 | C29 | C30 | H10 | 180.0° | 179.9° |
| C29 | C28 | C33 | H1 | 178.9° | 179.7° |
| C28 | C29 | C30 | H9 | 179.3° | 180.0° |
| N12 | C21 | C19 | C18 | 0.6° | 0.3° |
| N12 | C21 | C19 | H6 | 180.0° | 179.7° |
| N12 | C21 | C19 | C13 | 178.1° | 179.7° |
| C14 | C18 | C19 | C21 | 179.4° | 180.0° |
| C14 | C18 | C19 | C13 | 0.7° | 0.0° |
| C18 | C14 | H14 | H15 | 118.6° | 120.0° |
| C18 | C14 | N8 | H16 | 92.3° | 0.0° |
| C18 | C19 | C21 | C13 | 178.7° | 180.0° |
| C18 | C19 | C13 | O24 | 72.9° | 180.0° |
| C18 | C19 | C13 | H4 | 167.1° | 60.0° |
| C18 | C19 | C13 | H5 | 47.1° | 60.0° |
| C18 | C19 | C21 | H6 | 179.3° | 180.0° |
| C19 | C18 | C14 | H14 | 18.1° | 150.1° |
| C19 | C18 | C14 | H15 | 101.0° | 30.1° |
| C31 | C30 | C29 | H9 | 180.0° | 180.0° |
| C30 | C31 | C32 | H2 | 179.8° | 180.0° |
| C31 | C30 | C29 | H10 | 179.3° | 179.9° |
| C29 | C30 | C31 | H8 | 179.0° | 180.0° |
| C21 | C19 | C13 | O24 | 108.4° | 0.0° |
| C21 | C19 | C13 | H4 | 11.6° | 120.0° |
| C21 | C19 | C13 | H5 | 131.6° | 120.0° |
| C19 | C13 | O24 | H4 | 120.0° | 120.0° |
| C19 | C13 | O24 | H5 | 120.0° | 120.0° |
| C19 | C13 | O24 | P23 | 164.8° | 180.0° |
| C19 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C19 | C21 | H6 | 1.9° | 0.0° |
| C13 | O24 | P23 | O27 | 112.4° | 55.0° |
| C13 | O24 | P23 | O7 | 9.6° | 65.0° |
| C13 | O24 | P23 | O6 | 129.1° | 175.0° |
| O24 | C13 | H4 | H5 | 120.0° | 119.9° |
| O24 | P23 | O27 | O7 | 119.8° | 120.1° |
| O24 | P23 | O27 | O6 | 109.2° | 120.0° |
| O24 | P23 | O7 | O6 | 111.7° | 120.0° |
| P23 | O24 | C13 | H4 | 44.8° | 60.0° |
| P23 | O24 | C13 | H5 | 75.2° | 60.0° |
| O24 | P23 | O6 | H17 | 111.6° | 180.0° |
| O24 | P23 | O7 | H18 | 116.8° | 59.9° |
| O27 | P23 | O7 | O6 | 131.5° | 120.0° |
| O27 | P23 | O6 | H17 | 0.0° | 59.9° |
| O27 | P23 | O7 | H18 | 0.0° | 180.0° |
| O7 | P23 | O6 | H17 | 131.2° | 60.0° |
| O6 | P23 | O7 | H18 | 131.5° | 60.1° |
| H1 | C33 | C32 | H2 | 0.8° | 0.3° |
| H2 | C32 | C31 | H8 | 0.2° | 0.0° |
| H8 | C31 | C30 | H9 | 1.0° | 0.0° |
| H9 | C30 | C29 | H10 | 0.8° | 0.1° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H14 | C14 | N8 | H16 | 147.3° | 120.0° |
| H15 | C14 | N8 | H16 | 28.2° | 120.0° |
