O0W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | doub | 1.34Å | 1.33Å | Aromatic |
| C25 | C14 | sing | 1.46Å | 1.46Å | Aromatic |
| C26 | O27 | sing | 1.35Å | 1.34Å | Aromatic |
| O27 | C15 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.33Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.47Å | |
| O23 | C13 | doub | 1.22Å | 1.22Å | |
| C15 | C10 | sing | 1.46Å | 1.48Å | |
| C13 | N12 | sing | 1.35Å | 1.36Å | |
| N12 | C11 | sing | 1.36Å | 1.36Å | |
| N12 | C24 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | doub | 1.36Å | 1.34Å | |
| C10 | C7 | sing | 1.48Å | 1.48Å | |
| C8 | C7 | sing | 1.41Å | 1.49Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.34Å | Aromatic |
| C16 | C9 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
| C9 | C4 | sing | 1.41Å | 1.46Å | Aromatic |
| C6 | C3 | sing | 1.41Å | 1.47Å | Aromatic |
| C4 | C3 | sing | 1.47Å | 1.45Å | Aromatic |
| C4 | N5 | doub | 1.32Å | 1.26Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.34Å | Aromatic |
| N5 | N1 | sing | 1.40Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.34Å | 1.31Å | Aromatic |
| N1 | C17 | sing | 1.46Å | 1.46Å | |
| C22 | C17 | sing | 1.53Å | 1.55Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C21 | N20 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| N20 | C19 | sing | 1.47Å | 1.48Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| N20 | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C14 | 102.7° | 106.1° |
| C25 | C26 | O27 | 116.6° | 109.8° |
| C26 | C25 | H18 | 128.6° | 126.9° |
| C25 | C26 | H19 | 121.7° | 125.1° |
| C25 | C14 | C15 | 103.7° | 105.5° |
| C25 | C14 | C13 | 135.2° | 135.0° |
| C14 | C25 | H18 | 128.6° | 127.0° |
| C26 | O27 | C15 | 100.7° | 110.9° |
| O27 | C26 | H19 | 121.7° | 125.1° |
| O27 | C15 | C14 | 116.3° | 107.6° |
| O27 | C15 | C10 | 124.2° | 134.2° |
| C15 | C14 | C13 | 121.1° | 119.5° |
| C14 | C15 | C10 | 119.5° | 118.1° |
| C14 | C13 | O23 | 119.2° | 119.9° |
| C14 | C13 | N12 | 117.0° | 120.3° |
| O23 | C13 | N12 | 123.8° | 119.9° |
| C15 | C10 | C11 | 117.2° | 118.9° |
| C15 | C10 | C7 | 122.2° | 120.6° |
| C13 | N12 | C11 | 121.9° | 121.9° |
| C13 | N12 | C24 | 118.6° | 119.0° |
| C11 | N12 | C24 | 119.5° | 119.0° |
| N12 | C11 | C10 | 123.2° | 121.3° |
| N12 | C11 | H2 | 118.4° | 119.4° |
| N12 | C24 | H15 | 109.5° | 109.4° |
| N12 | C24 | H16 | 109.4° | 109.5° |
| N12 | C24 | H17 | 109.4° | 109.5° |
| C11 | C10 | C7 | 120.6° | 120.5° |
| C10 | C11 | H2 | 118.4° | 119.3° |
| C10 | C7 | C8 | 119.0° | 119.3° |
| C10 | C7 | C6 | 119.7° | 119.4° |
| C7 | C8 | C9 | 123.8° | 121.6° |
| C8 | C7 | C6 | 121.3° | 121.3° |
| C7 | C8 | H21 | 118.1° | 119.2° |
| C8 | C9 | C16 | 122.6° | 120.0° |
| C8 | C9 | C4 | 115.8° | 119.9° |
| C9 | C8 | H21 | 118.1° | 119.2° |
| C16 | C9 | C4 | 121.6° | 120.1° |
| C9 | C16 | H3 | 109.5° | 109.5° |
| C9 | C16 | H4 | 109.5° | 109.4° |
| C9 | C16 | H5 | 109.5° | 109.5° |
| C7 | C6 | C3 | 118.3° | 119.4° |
| C7 | C6 | H20 | 120.8° | 120.3° |
| C9 | C4 | C3 | 121.9° | 118.8° |
| C9 | C4 | N5 | 131.1° | 134.4° |
| C6 | C3 | C4 | 118.8° | 118.9° |
| C6 | C3 | C2 | 135.2° | 134.7° |
| C3 | C6 | H20 | 120.8° | 120.3° |
| C3 | C4 | N5 | 107.0° | 106.8° |
| C4 | C3 | C2 | 105.9° | 106.4° |
| C4 | N5 | N1 | 109.3° | 109.0° |
| C3 | C2 | N1 | 107.4° | 107.9° |
| C3 | C2 | H1 | 126.3° | 126.0° |
| N5 | N1 | C2 | 110.4° | 109.9° |
| N5 | N1 | C17 | 122.0° | 125.1° |
| C2 | N1 | C17 | 127.6° | 125.0° |
| N1 | C2 | H1 | 126.3° | 126.1° |
| N1 | C17 | C22 | 114.0° | 109.6° |
| N1 | C17 | C18 | 114.2° | 109.5° |
| N1 | C17 | H6 | 106.3° | 109.5° |
| C17 | C22 | C21 | 107.5° | 109.3° |
| C22 | C17 | C18 | 110.6° | 109.2° |
| C22 | C17 | H6 | 105.4° | 109.5° |
| C17 | C22 | H13 | 109.9° | 109.5° |
| C17 | C22 | H14 | 110.0° | 109.5° |
| C22 | C21 | N20 | 109.1° | 109.6° |
| C22 | C21 | H11 | 109.5° | 109.5° |
| C22 | C21 | H12 | 109.5° | 109.4° |
| C21 | C22 | H13 | 110.0° | 109.5° |
| C21 | C22 | H14 | 110.0° | 109.6° |
| C17 | C18 | C19 | 108.0° | 109.3° |
| C18 | C17 | H6 | 105.4° | 109.5° |
| C17 | C18 | H7 | 109.9° | 109.5° |
| C17 | C18 | H8 | 109.9° | 109.6° |
| C21 | N20 | C19 | 115.4° | 111.2° |
| N20 | C21 | H11 | 109.5° | 109.5° |
| N20 | C21 | H12 | 109.5° | 109.4° |
| C21 | N20 | H22 | 108.0° | 111.0° |
| C18 | C19 | N20 | 110.5° | 109.5° |
| C19 | C18 | H7 | 109.8° | 109.5° |
| C19 | C18 | H8 | 109.8° | 109.5° |
| C18 | C19 | H9 | 109.2° | 109.5° |
| C18 | C19 | H10 | 109.2° | 109.4° |
| N20 | C19 | H9 | 109.2° | 109.5° |
| N20 | C19 | H10 | 109.2° | 109.4° |
| C19 | N20 | H22 | 108.0° | 111.0° |
| H3 | C16 | H4 | 109.5° | 109.4° |
| H3 | C16 | H5 | 109.4° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.4° | 109.6° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.4° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.4° |
| H15 | C24 | H17 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C14 | H18 | 180.0° | 179.7° |
| C25 | C26 | O27 | H19 | 180.0° | 179.7° |
| C25 | C26 | O27 | C15 | 0.7° | 0.4° |
| C26 | C25 | C14 | C15 | 0.5° | 0.1° |
| C26 | C25 | C14 | C13 | 177.5° | 179.7° |
| C14 | C25 | C26 | O27 | 0.8° | 0.3° |
| C25 | C14 | C15 | O27 | 0.1° | 0.2° |
| C25 | C14 | C15 | C13 | 177.6° | 179.8° |
| C25 | C14 | C13 | O23 | 2.3° | 0.1° |
| C25 | C14 | C15 | C10 | 178.8° | 180.0° |
| C25 | C14 | C13 | N12 | 174.7° | 179.9° |
| C14 | C25 | C26 | H19 | 179.2° | 180.0° |
| C26 | O27 | C15 | C14 | 0.3° | 0.4° |
| C26 | O27 | C15 | C10 | 179.2° | 179.9° |
| O27 | C26 | C25 | H18 | 179.2° | 180.0° |
| O27 | C15 | C14 | C10 | 178.9° | 179.8° |
| O27 | C15 | C14 | C13 | 177.7° | 180.0° |
| O27 | C15 | C10 | C11 | 175.7° | 179.7° |
| O27 | C15 | C10 | C7 | 3.0° | 0.3° |
| C15 | O27 | C26 | H19 | 179.3° | 179.9° |
| C15 | C14 | C13 | O23 | 178.9° | 179.8° |
| C15 | C14 | C13 | N12 | 1.9° | 0.2° |
| C14 | C15 | C10 | C11 | 3.1° | 0.0° |
| C14 | C15 | C10 | C7 | 178.3° | 180.0° |
| C15 | C14 | C25 | H18 | 179.5° | 179.7° |
| C14 | C13 | O23 | N12 | 176.8° | 180.0° |
| C13 | C14 | C15 | C10 | 1.2° | 0.2° |
| C14 | C13 | N12 | C11 | 3.3° | 0.0° |
| C14 | C13 | N12 | C24 | 178.6° | 180.0° |
| C13 | C14 | C25 | H18 | 2.5° | 0.0° |
| O23 | C13 | N12 | C11 | 179.9° | 180.0° |
| O23 | C13 | N12 | C24 | 1.8° | 0.0° |
| C15 | C10 | C11 | N12 | 1.9° | 0.3° |
| C15 | C10 | C11 | C7 | 178.6° | 180.0° |
| C15 | C10 | C7 | C8 | 50.4° | 64.9° |
| C15 | C10 | C7 | C6 | 131.0° | 115.0° |
| C15 | C10 | C11 | H2 | 178.1° | 180.0° |
| C13 | N12 | C11 | C24 | 178.1° | 180.0° |
| C13 | N12 | C11 | C10 | 1.4° | 0.3° |
| C13 | N12 | C11 | H2 | 178.6° | 180.0° |
| C13 | N12 | C24 | H15 | 180.0° | 0.1° |
| C13 | N12 | C24 | H16 | 60.0° | 120.0° |
| C13 | N12 | C24 | H17 | 60.0° | 119.9° |
| N12 | C11 | C10 | H2 | 180.0° | 179.7° |
| N12 | C11 | C10 | C7 | 179.5° | 179.7° |
| C11 | N12 | C24 | H15 | 1.9° | 180.0° |
| C11 | N12 | C24 | H16 | 121.8° | 60.0° |
| C11 | N12 | C24 | H17 | 118.2° | 60.0° |
| C24 | N12 | C11 | C10 | 179.5° | 179.7° |
| C24 | N12 | C11 | H2 | 0.5° | 0.0° |
| N12 | C24 | H15 | H16 | 120.0° | 119.9° |
| N12 | C24 | H15 | H17 | 120.0° | 120.0° |
| N12 | C24 | H16 | H17 | 120.0° | 120.1° |
| C11 | C10 | C7 | C8 | 128.2° | 115.1° |
| C11 | C10 | C7 | C6 | 50.4° | 65.1° |
| C10 | C7 | C8 | C6 | 178.6° | 179.9° |
| C10 | C7 | C8 | C9 | 177.6° | 180.0° |
| C10 | C7 | C6 | C3 | 178.3° | 180.0° |
| C7 | C10 | C11 | H2 | 0.5° | 0.0° |
| C10 | C7 | C6 | H20 | 1.7° | 0.0° |
| C10 | C7 | C8 | H21 | 2.4° | 0.1° |
| C7 | C8 | C9 | H21 | 180.0° | 180.0° |
| C7 | C8 | C9 | C16 | 179.6° | 180.0° |
| C7 | C8 | C9 | C4 | 0.0° | 0.0° |
| C8 | C7 | C6 | C3 | 0.3° | 0.1° |
| C8 | C7 | C6 | H20 | 179.7° | 179.9° |
| C8 | C9 | C16 | C4 | 179.6° | 180.0° |
| C9 | C8 | C7 | C6 | 1.0° | 0.1° |
| C8 | C9 | C4 | C3 | 1.7° | 0.0° |
| C8 | C9 | C4 | N5 | 179.2° | 179.6° |
| C8 | C9 | C16 | H3 | 90.2° | 90.0° |
| C8 | C9 | C16 | H4 | 149.8° | 150.0° |
| C8 | C9 | C16 | H5 | 29.8° | 30.1° |
| C16 | C9 | C4 | C3 | 177.9° | 180.0° |
| C16 | C9 | C4 | N5 | 1.1° | 0.4° |
| C9 | C16 | H3 | H4 | 120.0° | 119.9° |
| C9 | C16 | H3 | H5 | 120.0° | 120.1° |
| C9 | C16 | H4 | H5 | 120.0° | 120.0° |
| C16 | C9 | C8 | H21 | 0.4° | 0.0° |
| C7 | C6 | C3 | H20 | 180.0° | 180.0° |
| C7 | C6 | C3 | C4 | 1.3° | 0.0° |
| C7 | C6 | C3 | C2 | 178.0° | 180.0° |
| C6 | C7 | C8 | H21 | 179.0° | 180.0° |
| C9 | C4 | C3 | C6 | 2.4° | 0.0° |
| C9 | C4 | C3 | N5 | 179.3° | 179.7° |
| C9 | C4 | C3 | C2 | 179.9° | 180.0° |
| C9 | C4 | N5 | N1 | 179.6° | 179.9° |
| C4 | C9 | C16 | H3 | 90.2° | 90.0° |
| C4 | C9 | C16 | H4 | 29.8° | 30.0° |
| C4 | C9 | C16 | H5 | 149.8° | 149.9° |
| C4 | C9 | C8 | H21 | 179.9° | 180.0° |
| C6 | C3 | C4 | C2 | 177.6° | 180.0° |
| C6 | C3 | C4 | N5 | 178.4° | 179.7° |
| C6 | C3 | C2 | N1 | 177.9° | 180.0° |
| C6 | C3 | C2 | H1 | 2.2° | 0.3° |
| C3 | C4 | N5 | N1 | 0.4° | 0.4° |
| C4 | C3 | C2 | N1 | 0.9° | 0.0° |
| C4 | C3 | C2 | H1 | 179.2° | 179.7° |
| C4 | C3 | C6 | H20 | 178.7° | 180.0° |
| N5 | C4 | C3 | C2 | 0.8° | 0.3° |
| C4 | N5 | N1 | C2 | 0.1° | 0.4° |
| C4 | N5 | N1 | C17 | 179.4° | 179.7° |
| C3 | C2 | N1 | N5 | 0.7° | 0.2° |
| C3 | C2 | N1 | H1 | 180.0° | 179.7° |
| C3 | C2 | N1 | C17 | 178.9° | 179.9° |
| C2 | C3 | C6 | H20 | 2.0° | 0.0° |
| N5 | N1 | C2 | C17 | 179.6° | 179.9° |
| N5 | N1 | C17 | C22 | 113.9° | 145.2° |
| N5 | N1 | C17 | C18 | 117.5° | 95.1° |
| N5 | N1 | C2 | H1 | 179.4° | 180.0° |
| N5 | N1 | C17 | H6 | 1.8° | 25.0° |
| C2 | N1 | C17 | C22 | 65.6° | 34.7° |
| C2 | N1 | C17 | C18 | 63.0° | 85.0° |
| C2 | N1 | C17 | H6 | 178.7° | 154.9° |
| N1 | C17 | C22 | C18 | 130.4° | 119.9° |
| N1 | C17 | C22 | H6 | 116.2° | 120.2° |
| N1 | C17 | C22 | C21 | 167.6° | 177.5° |
| N1 | C17 | C18 | H6 | 116.3° | 120.1° |
| N1 | C17 | C18 | C19 | 169.7° | 177.7° |
| C17 | N1 | C2 | H1 | 1.1° | 0.2° |
| N1 | C17 | C18 | H7 | 50.0° | 62.5° |
| N1 | C17 | C18 | H8 | 70.5° | 57.7° |
| N1 | C17 | C22 | H13 | 72.7° | 57.6° |
| N1 | C17 | C22 | H14 | 47.9° | 62.4° |
| C17 | C22 | C21 | H13 | 119.7° | 119.9° |
| C17 | C22 | C21 | H14 | 119.7° | 120.0° |
| C22 | C17 | C18 | H6 | 113.4° | 119.9° |
| C17 | C22 | C21 | N20 | 58.2° | 59.1° |
| C22 | C17 | C18 | C19 | 60.0° | 57.6° |
| C22 | C17 | C18 | H7 | 179.7° | 177.5° |
| C22 | C17 | C18 | H8 | 59.8° | 62.3° |
| C17 | C22 | C21 | H11 | 178.2° | 179.2° |
| C17 | C22 | C21 | H12 | 61.7° | 60.8° |
| C17 | C22 | H13 | H14 | 120.9° | 120.0° |
| C21 | C22 | C17 | C18 | 62.0° | 57.6° |
| C22 | C21 | N20 | H11 | 119.9° | 120.1° |
| C22 | C21 | N20 | H12 | 119.9° | 120.0° |
| C22 | C21 | N20 | C19 | 57.7° | 61.7° |
| C21 | C22 | C17 | H6 | 51.4° | 62.2° |
| C22 | C21 | H11 | H12 | 120.2° | 119.9° |
| C21 | C22 | H13 | H14 | 120.9° | 120.1° |
| C22 | C21 | N20 | H22 | 63.2° | 62.4° |
| C17 | C18 | C19 | H7 | 119.8° | 119.9° |
| C17 | C18 | C19 | H8 | 119.8° | 120.0° |
| C17 | C18 | C19 | N20 | 54.7° | 59.2° |
| C17 | C18 | H7 | H8 | 120.7° | 120.2° |
| C17 | C18 | C19 | H9 | 65.5° | 60.9° |
| C17 | C18 | C19 | H10 | 174.8° | 179.2° |
| C18 | C17 | C22 | H13 | 57.7° | 62.3° |
| C18 | C17 | C22 | H14 | 178.3° | 177.6° |
| C21 | N20 | C19 | C18 | 56.1° | 61.7° |
| C21 | N20 | C19 | H22 | 120.9° | 124.0° |
| C21 | N20 | C19 | H9 | 64.0° | 58.3° |
| C21 | N20 | C19 | H10 | 176.3° | 178.3° |
| N20 | C21 | H11 | H12 | 120.2° | 119.9° |
| N20 | C21 | C22 | H13 | 61.5° | 60.8° |
| N20 | C21 | C22 | H14 | 177.9° | 179.1° |
| C18 | C19 | N20 | H9 | 120.1° | 120.1° |
| C18 | C19 | N20 | H10 | 120.2° | 120.0° |
| C19 | C18 | C17 | H6 | 53.4° | 62.2° |
| C19 | C18 | H7 | H8 | 120.7° | 120.1° |
| C18 | C19 | H9 | H10 | 119.5° | 119.9° |
| C18 | C19 | N20 | H22 | 64.8° | 62.3° |
| N20 | C19 | C18 | H7 | 174.5° | 179.1° |
| N20 | C19 | C18 | H8 | 65.1° | 60.8° |
| N20 | C19 | H9 | H10 | 119.6° | 120.0° |
| C19 | N20 | C21 | H11 | 177.6° | 178.2° |
| C19 | N20 | C21 | H12 | 62.2° | 58.3° |
| H3 | C16 | H4 | H5 | 120.0° | 120.1° |
| H6 | C17 | C18 | H7 | 66.3° | 57.7° |
| H6 | C17 | C18 | H8 | 173.2° | 177.8° |
| H6 | C17 | C22 | H13 | 171.1° | 177.9° |
| H6 | C17 | C22 | H14 | 68.3° | 57.8° |
| H7 | C18 | C19 | H9 | 54.3° | 59.0° |
| H7 | C18 | C19 | H10 | 65.4° | 60.9° |
| H8 | C18 | C19 | H9 | 174.7° | 179.1° |
| H8 | C18 | C19 | H10 | 55.0° | 59.2° |
| H9 | C19 | N20 | H22 | 175.1° | 177.6° |
| H10 | C19 | N20 | H22 | 55.4° | 57.7° |
| H11 | C21 | C22 | H13 | 58.5° | 59.3° |
| H11 | C21 | C22 | H14 | 62.1° | 60.8° |
| H11 | C21 | N20 | H22 | 56.8° | 57.7° |
| H12 | C21 | C22 | H13 | 178.6° | 179.3° |
| H12 | C21 | C22 | H14 | 58.0° | 59.1° |
| H12 | C21 | N20 | H22 | 176.9° | 177.7° |
| H15 | C24 | H16 | H17 | 120.0° | 120.0° |
| H18 | C25 | C26 | H19 | 0.8° | 0.3° |
