01P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| N1 | C3 | sing | 1.47Å | 1.50Å | |
| N1 | C5 | sing | 1.47Å | 1.49Å | |
| N1 | C15 | sing | 1.40Å | 1.38Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| O1 | C6 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| N2 | C18 | sing | 1.40Å | 1.36Å | |
| N2 | C24 | sing | 1.39Å | 1.37Å | |
| O2 | C14 | sing | 1.36Å | 1.38Å | |
| O2 | C17 | sing | 1.43Å | 1.43Å | |
| N3 | C21 | doub | 1.34Å | 1.45Å | Aromatic |
| N3 | C22 | sing | 1.31Å | 1.39Å | Aromatic |
| C4 | N4 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | N6 | sing | 1.38Å | 1.40Å | |
| N4 | C23 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| N5 | C24 | doub | 1.33Å | 1.36Å | Aromatic |
| N6 | C12 | sing | 1.40Å | 1.39Å | |
| C7 | C8 | doub | 1.36Å | 1.47Å | Aromatic |
| C7 | C20 | sing | 1.41Å | 1.46Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.47Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.48Å | Aromatic |
| C10 | C21 | sing | 1.41Å | 1.48Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.44Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.45Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.44Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.46Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.48Å | Aromatic |
| C18 | C22 | doub | 1.40Å | 1.44Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.42Å | 1.52Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C1 | C24 | 116.7° | 118.5° |
| C1 | C23 | N4 | 120.0° | 119.3° |
| C23 | C1 | H1 | 121.7° | 120.8° |
| C1 | C23 | H23 | 120.0° | 120.4° |
| C1 | C24 | N2 | 117.0° | 120.5° |
| C1 | C24 | N5 | 120.4° | 119.0° |
| C24 | C1 | H1 | 121.6° | 120.7° |
| C3 | N1 | C5 | 119.4° | 110.7° |
| C3 | N1 | C15 | 121.2° | 111.0° |
| N1 | C3 | C2 | 115.4° | 109.2° |
| N1 | C3 | H3 | 107.6° | 109.5° |
| N1 | C3 | H3A | 107.5° | 109.5° |
| C5 | N1 | C15 | 119.3° | 111.0° |
| N1 | C5 | C6 | 116.5° | 109.3° |
| N1 | C5 | H5 | 107.2° | 109.5° |
| N1 | C5 | H5A | 107.2° | 109.5° |
| N1 | C15 | C14 | 116.9° | 120.0° |
| N1 | C15 | C16 | 120.3° | 120.0° |
| C2 | O1 | C6 | 113.1° | 113.7° |
| O1 | C2 | C3 | 108.4° | 109.3° |
| O1 | C2 | H2 | 109.8° | 109.5° |
| O1 | C2 | H2A | 109.8° | 109.5° |
| O1 | C6 | C5 | 113.9° | 109.2° |
| O1 | C6 | H6 | 108.0° | 109.5° |
| O1 | C6 | H6A | 108.0° | 109.5° |
| C3 | C2 | H2 | 109.8° | 109.5° |
| C3 | C2 | H2A | 109.8° | 109.5° |
| C2 | C3 | H3 | 107.5° | 109.5° |
| C2 | C3 | H3A | 107.6° | 109.5° |
| C18 | N2 | C24 | 128.8° | 120.0° |
| N2 | C18 | C19 | 126.9° | 120.2° |
| N2 | C18 | C22 | 113.2° | 120.2° |
| C18 | N2 | HN2 | 115.6° | 120.0° |
| N2 | C24 | N5 | 122.5° | 120.5° |
| C24 | N2 | HN2 | 115.6° | 120.0° |
| C14 | O2 | C17 | 123.3° | 117.0° |
| O2 | C14 | C13 | 122.8° | 120.0° |
| O2 | C14 | C15 | 118.2° | 120.1° |
| O2 | C17 | H17 | 109.5° | 109.5° |
| O2 | C17 | H17A | 109.4° | 109.5° |
| O2 | C17 | H17B | 109.5° | 109.4° |
| C21 | N3 | C22 | 125.5° | 121.6° |
| N3 | C21 | C10 | 123.5° | 120.9° |
| N3 | C21 | C20 | 119.0° | 120.1° |
| N3 | C22 | C18 | 116.6° | 121.6° |
| N3 | C22 | H22 | 121.7° | 119.2° |
| N4 | C4 | N5 | 119.1° | 121.7° |
| N4 | C4 | N6 | 120.4° | 119.1° |
| C4 | N4 | C23 | 122.8° | 120.9° |
| N5 | C4 | N6 | 120.5° | 119.2° |
| C4 | N5 | C24 | 121.0° | 120.6° |
| C4 | N6 | C12 | 127.6° | 120.0° |
| C4 | N6 | HN6 | 116.1° | 120.0° |
| N4 | C23 | H23 | 120.0° | 120.3° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| C6 | C5 | H5A | 107.2° | 109.5° |
| C5 | C6 | H6 | 108.0° | 109.5° |
| C5 | C6 | H6A | 108.0° | 109.5° |
| N6 | C12 | C11 | 119.3° | 119.9° |
| N6 | C12 | C13 | 120.2° | 120.0° |
| C12 | N6 | HN6 | 116.2° | 120.0° |
| C8 | C7 | C20 | 119.9° | 119.6° |
| C7 | C8 | C9 | 120.3° | 120.8° |
| C8 | C7 | H7 | 120.1° | 120.2° |
| C7 | C8 | H8 | 119.8° | 119.6° |
| C7 | C20 | C19 | 124.5° | 121.3° |
| C7 | C20 | C21 | 121.2° | 119.7° |
| C20 | C7 | H7 | 120.1° | 120.2° |
| C8 | C9 | C10 | 120.3° | 121.1° |
| C9 | C8 | H8 | 119.9° | 119.6° |
| C8 | C9 | H9 | 119.8° | 119.4° |
| C9 | C10 | C21 | 120.8° | 119.8° |
| C10 | C9 | H9 | 119.9° | 119.4° |
| C9 | C10 | H10 | 119.6° | 120.1° |
| C10 | C21 | C20 | 117.6° | 119.0° |
| C21 | C10 | H10 | 119.6° | 120.1° |
| C12 | C11 | C16 | 120.6° | 120.1° |
| C11 | C12 | C13 | 120.4° | 120.1° |
| C12 | C11 | H11 | 119.7° | 120.0° |
| C11 | C16 | C15 | 117.6° | 120.0° |
| C16 | C11 | H11 | 119.7° | 119.9° |
| C11 | C16 | H16 | 121.2° | 120.0° |
| C12 | C13 | C14 | 119.6° | 119.9° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| C13 | C14 | C15 | 119.0° | 120.0° |
| C14 | C13 | H13 | 120.2° | 120.1° |
| C14 | C15 | C16 | 122.8° | 120.0° |
| C15 | C16 | H16 | 121.2° | 120.0° |
| C19 | C18 | C22 | 119.9° | 119.6° |
| C18 | C19 | C20 | 124.6° | 118.0° |
| C18 | C19 | H19 | 117.7° | 120.9° |
| C18 | C22 | H22 | 121.7° | 119.2° |
| C19 | C20 | C21 | 114.4° | 119.1° |
| C20 | C19 | H19 | 117.7° | 121.0° |
| H2 | C2 | H2A | 109.1° | 109.6° |
| H3 | C3 | H3A | 111.3° | 109.5° |
| H5 | C5 | H5A | 111.7° | 109.6° |
| H6 | C6 | H6A | 110.9° | 109.6° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| H17 | C17 | H17B | 109.4° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C1 | C24 | H1 | 180.0° | 179.8° |
| C23 | C1 | C24 | N2 | 176.7° | 180.0° |
| C1 | C23 | N4 | C4 | 0.2° | 0.0° |
| C1 | C23 | N4 | H23 | 180.0° | 180.0° |
| C23 | C1 | C24 | N5 | 0.5° | 0.0° |
| C1 | C24 | N2 | C18 | 174.6° | 174.4° |
| C1 | C24 | N2 | N5 | 177.2° | 180.0° |
| C1 | C24 | N5 | C4 | 0.4° | 0.1° |
| C24 | C1 | C23 | N4 | 0.2° | 0.0° |
| C1 | C24 | N2 | HN2 | 5.4° | 5.6° |
| C24 | C1 | C23 | H23 | 179.8° | 180.0° |
| C3 | N1 | C5 | C15 | 179.0° | 123.8° |
| N1 | C3 | C2 | O1 | 43.6° | 56.9° |
| N1 | C3 | C2 | H3 | 120.0° | 120.0° |
| N1 | C3 | C2 | H3A | 120.0° | 119.9° |
| C3 | N1 | C5 | C6 | 5.1° | 58.6° |
| C3 | N1 | C15 | C14 | 47.0° | 66.3° |
| C3 | N1 | C15 | C16 | 131.9° | 113.7° |
| N1 | C3 | C2 | H2 | 163.6° | 63.1° |
| N1 | C3 | C2 | H2A | 76.4° | 176.8° |
| N1 | C3 | H3 | H3A | 117.6° | 120.1° |
| C3 | N1 | C5 | H5 | 125.1° | 178.5° |
| C3 | N1 | C5 | H5A | 114.8° | 61.3° |
| N1 | C5 | C6 | O1 | 15.8° | 56.8° |
| C5 | N1 | C3 | C2 | 9.0° | 58.6° |
| N1 | C5 | C6 | H5 | 120.0° | 119.9° |
| N1 | C5 | C6 | H5A | 120.0° | 119.9° |
| C5 | N1 | C15 | C14 | 133.9° | 170.1° |
| C5 | N1 | C15 | C16 | 47.1° | 9.9° |
| C5 | N1 | C3 | H3 | 129.0° | 61.3° |
| C5 | N1 | C3 | H3A | 111.0° | 178.6° |
| N1 | C5 | H5 | H5A | 117.2° | 120.1° |
| N1 | C5 | C6 | H6 | 104.2° | 176.8° |
| N1 | C5 | C6 | H6A | 135.8° | 63.0° |
| C15 | N1 | C3 | C2 | 172.0° | 177.6° |
| N1 | C15 | C14 | O2 | 1.7° | 0.0° |
| C15 | N1 | C5 | C6 | 173.9° | 177.6° |
| N1 | C15 | C16 | C11 | 178.5° | 179.9° |
| N1 | C15 | C14 | C13 | 178.6° | 180.0° |
| N1 | C15 | C14 | C16 | 179.0° | 180.0° |
| C15 | N1 | C3 | H3 | 52.0° | 62.5° |
| C15 | N1 | C3 | H3A | 68.0° | 57.7° |
| C15 | N1 | C5 | H5 | 53.9° | 57.7° |
| C15 | N1 | C5 | H5A | 66.1° | 62.5° |
| N1 | C15 | C16 | H16 | 1.5° | 0.0° |
| O1 | C2 | C3 | H2 | 120.0° | 120.0° |
| O1 | C2 | C3 | H2A | 120.0° | 119.9° |
| C2 | O1 | C6 | C5 | 54.3° | 58.6° |
| O1 | C2 | H2 | H2A | 120.4° | 120.1° |
| O1 | C2 | C3 | H3 | 163.6° | 63.1° |
| O1 | C2 | C3 | H3A | 76.3° | 176.8° |
| C2 | O1 | C6 | H6 | 65.7° | 178.6° |
| C2 | O1 | C6 | H6A | 174.3° | 61.2° |
| C6 | O1 | C2 | C3 | 67.9° | 58.7° |
| O1 | C6 | C5 | H6 | 120.0° | 119.9° |
| O1 | C6 | C5 | H6A | 120.0° | 119.9° |
| C6 | O1 | C2 | H2 | 172.1° | 61.3° |
| C6 | O1 | C2 | H2A | 52.1° | 178.6° |
| O1 | C6 | C5 | H5 | 104.2° | 176.8° |
| O1 | C6 | C5 | H5A | 135.8° | 63.1° |
| O1 | C6 | H6 | H6A | 118.2° | 120.1° |
| C3 | C2 | H2 | H2A | 120.4° | 120.1° |
| C2 | C3 | H3 | H3A | 117.6° | 120.1° |
| C18 | N2 | C24 | HN2 | 180.0° | 180.0° |
| N2 | C18 | C22 | N3 | 177.2° | 179.9° |
| C18 | N2 | C24 | N5 | 2.6° | 5.6° |
| N2 | C18 | C19 | C22 | 177.3° | 180.0° |
| N2 | C18 | C19 | C20 | 176.7° | 180.0° |
| N2 | C18 | C19 | H19 | 3.2° | 0.0° |
| N2 | C18 | C22 | H22 | 2.8° | 0.0° |
| N2 | C24 | N5 | C4 | 176.7° | 179.9° |
| C24 | N2 | C18 | C19 | 22.9° | 32.6° |
| C24 | N2 | C18 | C22 | 154.6° | 147.4° |
| N2 | C24 | C1 | H1 | 3.2° | 0.3° |
| O2 | C14 | C13 | C12 | 179.8° | 180.0° |
| O2 | C14 | C13 | C15 | 179.6° | 180.0° |
| O2 | C14 | C15 | C16 | 179.3° | 180.0° |
| O2 | C14 | C13 | H13 | 0.2° | 0.0° |
| C14 | O2 | C17 | H17 | 180.0° | 180.0° |
| C14 | O2 | C17 | H17A | 60.0° | 60.0° |
| C14 | O2 | C17 | H17B | 60.0° | 60.0° |
| C17 | O2 | C14 | C13 | 29.5° | 0.0° |
| C17 | O2 | C14 | C15 | 150.9° | 180.0° |
| O2 | C17 | H17 | H17A | 120.0° | 120.0° |
| O2 | C17 | H17 | H17B | 120.0° | 120.0° |
| O2 | C17 | H17A | H17B | 120.0° | 120.0° |
| N3 | C21 | C20 | C7 | 179.6° | 180.0° |
| N3 | C21 | C10 | C9 | 179.6° | 179.9° |
| N3 | C21 | C10 | C20 | 179.3° | 180.0° |
| C21 | N3 | C22 | C18 | 0.0° | 0.1° |
| N3 | C21 | C20 | C19 | 0.4° | 0.0° |
| N3 | C21 | C10 | H10 | 0.4° | 0.0° |
| C21 | N3 | C22 | H22 | 180.0° | 180.0° |
| C22 | N3 | C21 | C10 | 178.8° | 179.9° |
| N3 | C22 | C18 | C19 | 0.5° | 0.1° |
| N3 | C22 | C18 | H22 | 180.0° | 179.9° |
| C22 | N3 | C21 | C20 | 0.5° | 0.0° |
| N4 | C4 | N5 | N6 | 179.3° | 179.9° |
| N4 | C4 | N5 | C24 | 0.0° | 0.1° |
| N4 | C4 | N6 | C12 | 174.6° | 5.3° |
| N4 | C4 | N6 | HN6 | 5.4° | 174.7° |
| C4 | N4 | C23 | H23 | 179.8° | 180.0° |
| N5 | C4 | N4 | C23 | 0.3° | 0.0° |
| N5 | C4 | N6 | C12 | 4.6° | 174.8° |
| N5 | C4 | N6 | HN6 | 175.4° | 5.3° |
| N6 | C4 | N4 | C23 | 178.9° | 180.0° |
| N6 | C4 | N5 | C24 | 179.3° | 180.0° |
| C4 | N6 | C12 | HN6 | 180.0° | 180.0° |
| C4 | N6 | C12 | C11 | 127.8° | 33.1° |
| C4 | N6 | C12 | C13 | 51.0° | 146.9° |
| N4 | C23 | C1 | H1 | 179.8° | 179.8° |
| C6 | C5 | H5 | H5A | 117.1° | 120.1° |
| C5 | C6 | H6 | H6A | 118.2° | 120.1° |
| N5 | C24 | C1 | H1 | 179.5° | 179.7° |
| N5 | C24 | N2 | HN2 | 177.4° | 174.4° |
| N6 | C12 | C11 | C13 | 178.8° | 180.0° |
| N6 | C12 | C11 | C16 | 178.3° | 180.0° |
| N6 | C12 | C13 | C14 | 178.2° | 180.0° |
| N6 | C12 | C11 | H11 | 1.7° | 0.3° |
| N6 | C12 | C13 | H13 | 1.8° | 0.0° |
| C8 | C7 | C20 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C8 | C7 | C20 | C19 | 179.0° | 180.0° |
| C8 | C7 | C20 | C21 | 0.1° | 0.0° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| C20 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | C20 | C21 | C10 | 0.2° | 0.0° |
| C7 | C20 | C19 | C18 | 179.1° | 180.0° |
| C7 | C20 | C19 | C21 | 179.2° | 180.0° |
| C20 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C20 | C19 | H19 | 0.9° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C21 | 0.1° | 0.1° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C10 | C21 | H10 | 180.0° | 179.9° |
| C9 | C10 | C21 | C20 | 0.2° | 0.1° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C10 | C21 | C20 | C19 | 179.0° | 179.9° |
| C21 | C10 | C9 | H9 | 179.9° | 180.0° |
| C12 | C11 | C16 | H11 | 180.0° | 179.6° |
| C11 | C12 | C13 | C14 | 0.6° | 0.0° |
| C12 | C11 | C16 | C15 | 0.0° | 0.1° |
| C11 | C12 | N6 | HN6 | 52.2° | 146.9° |
| C11 | C12 | C13 | H13 | 179.4° | 180.0° |
| C12 | C11 | C16 | H16 | 180.0° | 180.0° |
| C16 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | C16 | C15 | C14 | 0.4° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | N6 | HN6 | 129.0° | 33.1° |
| C13 | C12 | C11 | H11 | 179.5° | 179.7° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| C14 | C15 | C16 | H16 | 179.6° | 180.0° |
| C15 | C16 | C11 | H11 | 180.0° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | N2 | HN2 | 157.1° | 147.4° |
| C19 | C18 | C22 | H22 | 179.5° | 180.0° |
| C22 | C18 | C19 | C20 | 0.6° | 0.0° |
| C22 | C18 | N2 | HN2 | 25.4° | 32.6° |
| C22 | C18 | C19 | H19 | 179.5° | 180.0° |
| C19 | C20 | C7 | H7 | 1.0° | 0.0° |
| C21 | C20 | C7 | H7 | 179.9° | 180.0° |
| C20 | C21 | C10 | H10 | 179.8° | 180.0° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| H1 | C1 | C23 | H23 | 0.2° | 0.3° |
| H2 | C2 | C3 | H3 | 76.3° | 177.0° |
| H2 | C2 | C3 | H3A | 43.7° | 56.8° |
| H2A | C2 | C3 | H3 | 43.6° | 56.8° |
| H2A | C2 | C3 | H3A | 163.6° | 63.3° |
| H5 | C5 | C6 | H6 | 135.8° | 63.3° |
| H5 | C5 | C6 | H6A | 15.8° | 56.9° |
| H5A | C5 | C6 | H6 | 15.8° | 56.8° |
| H5A | C5 | C6 | H6A | 104.2° | 177.0° |
| H7 | C7 | C8 | H8 | 0.0° | 0.0° |
| H8 | C8 | C9 | H9 | 0.0° | 0.0° |
| H9 | C9 | C10 | H10 | 0.1° | 0.1° |
| H11 | C11 | C16 | H16 | 0.0° | 0.4° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
