O32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.55Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C18 | C14 | sing | 1.55Å | 1.53Å | |
| C18 | N17 | sing | 1.47Å | 1.46Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C16 | N17 | sing | 1.34Å | 1.33Å | |
| C16 | O19 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | O8 | sing | 1.43Å | 1.46Å | |
| O8 | C5 | sing | 1.36Å | 1.37Å | |
| C5 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C11 | doub | 1.37Å | 1.36Å | Aromatic |
| C3 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C4 | doub | 1.42Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.35Å | Aromatic |
| C21 | C20 | sing | 1.42Å | 1.44Å | Aromatic |
| C1 | C20 | sing | 1.48Å | 1.47Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | N7 | sing | 1.34Å | 1.38Å | Aromatic |
| C20 | C23 | doub | 1.36Å | 1.35Å | Aromatic |
| C10 | N7 | doub | 1.31Å | 1.33Å | Aromatic |
| C25 | N24 | sing | 1.37Å | 1.39Å | Aromatic |
| C25 | N26 | doub | 1.32Å | 1.32Å | Aromatic |
| C23 | N24 | sing | 1.36Å | 1.39Å | Aromatic |
| N24 | C28 | sing | 1.36Å | 1.37Å | Aromatic |
| N26 | N27 | sing | 1.29Å | 1.39Å | Aromatic |
| C28 | N27 | doub | 1.31Å | 1.31Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.49Å | |
| C10 | H33 | sing | 1.08Å | 1.08Å | |
| C13 | H36 | sing | 1.09Å | 1.10Å | |
| C13 | H37 | sing | 1.09Å | 1.10Å | |
| C13 | H38 | sing | 1.09Å | 1.10Å | |
| C15 | H40 | sing | 1.09Å | 1.10Å | |
| C15 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | H45 | sing | 1.08Å | 1.08Å | |
| C22 | H46 | sing | 1.08Å | 1.08Å | |
| C11 | H34 | sing | 1.08Å | 1.08Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H39 | sing | 1.09Å | 1.10Å | |
| C18 | H43 | sing | 1.09Å | 1.10Å | |
| C18 | H44 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H47 | sing | 1.08Å | 1.08Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C9 | H32 | sing | 1.08Å | 1.08Å | |
| N17 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 104.7° | 104.2° |
| C15 | C14 | C18 | 103.2° | 101.7° |
| C15 | C14 | C12 | 114.3° | 111.0° |
| C14 | C15 | H40 | 110.7° | 110.5° |
| C14 | C15 | H41 | 110.6° | 110.5° |
| C15 | C14 | H39 | 108.3° | 110.9° |
| C15 | C16 | N17 | 108.5° | 110.1° |
| C15 | C16 | O19 | 126.1° | 124.9° |
| C16 | C15 | H40 | 110.6° | 110.5° |
| C16 | C15 | H41 | 110.7° | 110.5° |
| C14 | C18 | N17 | 104.0° | 105.5° |
| C18 | C14 | C12 | 114.1° | 111.0° |
| C18 | C14 | H39 | 108.3° | 111.0° |
| C14 | C18 | H43 | 110.8° | 110.3° |
| C14 | C18 | H44 | 110.8° | 110.3° |
| C18 | N17 | C16 | 114.1° | 111.3° |
| N17 | C18 | H43 | 110.8° | 110.2° |
| N17 | C18 | H44 | 110.8° | 110.2° |
| C18 | N17 | H42 | 123.0° | 124.3° |
| C14 | C12 | C13 | 114.3° | 109.4° |
| C14 | C12 | O8 | 106.6° | 109.5° |
| C14 | C12 | H35 | 109.2° | 109.5° |
| C12 | C14 | H39 | 108.3° | 110.9° |
| N17 | C16 | O19 | 125.4° | 125.0° |
| C16 | N17 | H42 | 122.9° | 124.3° |
| C13 | C12 | O8 | 106.8° | 109.4° |
| C12 | C13 | H36 | 109.5° | 109.5° |
| C12 | C13 | H37 | 109.5° | 109.5° |
| C12 | C13 | H38 | 109.5° | 109.5° |
| C13 | C12 | H35 | 109.6° | 109.5° |
| C12 | O8 | C5 | 121.0° | 117.0° |
| O8 | C12 | H35 | 110.3° | 109.5° |
| O8 | C5 | C3 | 125.3° | 120.1° |
| O8 | C5 | C6 | 113.5° | 120.1° |
| C3 | C5 | C6 | 121.2° | 119.8° |
| C5 | C3 | C1 | 120.3° | 120.7° |
| C5 | C3 | H31 | 119.8° | 119.7° |
| C5 | C6 | C9 | 124.4° | 121.2° |
| C5 | C6 | C4 | 117.9° | 119.9° |
| C6 | C9 | C11 | 119.7° | 118.3° |
| C9 | C6 | C4 | 117.6° | 118.9° |
| C6 | C9 | H32 | 120.1° | 120.9° |
| C9 | C11 | C10 | 118.9° | 119.9° |
| C9 | C11 | H34 | 120.5° | 120.0° |
| C11 | C9 | H32 | 120.1° | 120.9° |
| C3 | C1 | C20 | 119.6° | 119.6° |
| C3 | C1 | C2 | 120.3° | 120.7° |
| C1 | C3 | H31 | 119.9° | 119.6° |
| C6 | C4 | C2 | 119.5° | 119.2° |
| C6 | C4 | N7 | 122.3° | 119.9° |
| C11 | C10 | N7 | 124.4° | 121.7° |
| C11 | C10 | H33 | 117.8° | 119.2° |
| C10 | C11 | H34 | 120.5° | 120.0° |
| C22 | C21 | C20 | 122.1° | 119.6° |
| C21 | C22 | C25 | 118.3° | 119.4° |
| C22 | C21 | H45 | 119.0° | 120.2° |
| C21 | C22 | H46 | 120.9° | 120.3° |
| C21 | C20 | C1 | 121.2° | 119.9° |
| C21 | C20 | C23 | 119.5° | 120.1° |
| C20 | C21 | H45 | 119.0° | 120.2° |
| C20 | C1 | C2 | 119.7° | 119.7° |
| C1 | C20 | C23 | 118.8° | 120.0° |
| C1 | C2 | C4 | 120.6° | 119.7° |
| C1 | C2 | H30 | 119.7° | 120.1° |
| C22 | C25 | N24 | 118.7° | 119.9° |
| C22 | C25 | N26 | 132.2° | 133.3° |
| C25 | C22 | H46 | 120.9° | 120.3° |
| C2 | C4 | N7 | 118.2° | 120.9° |
| C4 | C2 | H30 | 119.7° | 120.1° |
| C4 | N7 | C10 | 117.0° | 121.3° |
| C20 | C23 | N24 | 118.2° | 120.4° |
| C20 | C23 | H47 | 120.9° | 119.8° |
| N7 | C10 | H33 | 117.8° | 119.2° |
| N24 | C25 | N26 | 109.0° | 106.8° |
| C25 | N24 | C23 | 122.9° | 120.6° |
| C25 | N24 | C28 | 105.5° | 105.9° |
| C25 | N26 | N27 | 107.2° | 109.5° |
| C23 | N24 | C28 | 131.2° | 133.5° |
| N24 | C23 | H47 | 120.9° | 119.8° |
| N24 | C28 | N27 | 109.4° | 107.5° |
| N24 | C28 | C29 | 123.5° | 126.3° |
| N26 | N27 | C28 | 108.8° | 110.3° |
| N27 | C28 | C29 | 127.1° | 126.2° |
| C28 | C29 | H50 | 109.5° | 109.5° |
| C28 | C29 | H48 | 109.4° | 109.4° |
| C28 | C29 | H49 | 109.5° | 109.5° |
| H36 | C13 | H37 | 109.5° | 109.5° |
| H36 | C13 | H38 | 109.5° | 109.4° |
| H37 | C13 | H38 | 109.5° | 109.5° |
| H40 | C15 | H41 | 109.5° | 110.5° |
| H43 | C18 | H44 | 109.5° | 110.3° |
| H50 | C29 | H48 | 109.5° | 109.5° |
| H50 | C29 | H49 | 109.4° | 109.5° |
| H48 | C29 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H40 | 119.3° | 118.7° |
| C14 | C15 | C16 | H41 | 119.2° | 118.7° |
| C15 | C14 | C18 | C12 | 124.6° | 118.1° |
| C15 | C14 | C18 | H39 | 114.7° | 118.0° |
| C15 | C14 | C18 | N17 | 22.0° | 25.4° |
| C15 | C14 | C12 | H39 | 120.8° | 123.8° |
| C14 | C15 | C16 | N17 | 13.9° | 16.2° |
| C14 | C15 | C16 | O19 | 165.1° | 163.8° |
| C15 | C14 | C12 | C13 | 73.7° | 180.0° |
| C15 | C14 | C12 | O8 | 44.1° | 60.0° |
| C14 | C15 | H40 | H41 | 122.2° | 122.6° |
| C15 | C14 | C12 | H35 | 163.2° | 60.0° |
| C15 | C14 | C18 | H43 | 97.1° | 144.4° |
| C15 | C14 | C18 | H44 | 141.1° | 93.6° |
| C16 | C15 | C14 | C18 | 21.8° | 24.8° |
| C15 | C16 | N17 | C18 | 0.7° | 0.4° |
| C16 | C15 | C14 | C12 | 102.7° | 142.9° |
| C15 | C16 | N17 | O19 | 179.0° | 180.0° |
| C16 | C15 | H40 | H41 | 122.2° | 122.7° |
| C16 | C15 | C14 | H39 | 136.5° | 93.3° |
| C15 | C16 | N17 | H42 | 179.3° | 179.6° |
| C14 | C18 | N17 | H43 | 119.1° | 119.0° |
| C14 | C18 | N17 | H44 | 119.1° | 119.0° |
| C18 | C14 | C12 | H39 | 120.7° | 123.9° |
| C14 | C18 | N17 | C16 | 14.9° | 17.0° |
| C18 | C14 | C12 | C13 | 167.8° | 67.7° |
| C18 | C14 | C12 | O8 | 74.4° | 172.4° |
| C18 | C14 | C15 | H40 | 141.1° | 93.9° |
| C18 | C14 | C15 | H41 | 97.4° | 143.5° |
| C18 | C14 | C12 | H35 | 44.7° | 52.3° |
| C14 | C18 | H43 | H44 | 122.5° | 122.0° |
| C14 | C18 | N17 | H42 | 165.1° | 163.0° |
| N17 | C18 | C14 | C12 | 102.6° | 143.5° |
| C18 | N17 | C16 | H42 | 180.0° | 180.0° |
| C18 | N17 | C16 | O19 | 179.7° | 179.6° |
| N17 | C18 | C14 | H39 | 136.7° | 92.6° |
| N17 | C18 | H43 | H44 | 122.6° | 121.9° |
| C14 | C12 | C13 | O8 | 117.7° | 119.9° |
| C14 | C12 | C13 | H35 | 122.9° | 120.0° |
| C14 | C12 | O8 | H35 | 118.4° | 120.0° |
| C14 | C12 | O8 | C5 | 154.7° | 155.3° |
| C14 | C12 | C13 | H36 | 180.0° | 60.0° |
| C14 | C12 | C13 | H37 | 60.0° | 60.0° |
| C14 | C12 | C13 | H38 | 60.0° | 180.0° |
| C12 | C14 | C15 | H40 | 16.6° | 24.2° |
| C12 | C14 | C15 | H41 | 138.1° | 98.4° |
| C12 | C14 | C18 | H43 | 138.3° | 97.5° |
| C12 | C14 | C18 | H44 | 16.5° | 24.5° |
| N17 | C16 | C15 | H40 | 133.2° | 102.4° |
| N17 | C16 | C15 | H41 | 105.3° | 134.9° |
| C16 | N17 | C18 | H43 | 104.2° | 136.0° |
| C16 | N17 | C18 | H44 | 134.0° | 102.0° |
| O19 | C16 | C15 | H40 | 45.8° | 77.6° |
| O19 | C16 | C15 | H41 | 75.7° | 45.1° |
| O19 | C16 | N17 | H42 | 0.3° | 0.5° |
| C13 | C12 | O8 | H35 | 119.0° | 120.0° |
| C13 | C12 | O8 | C5 | 82.7° | 84.8° |
| C12 | C13 | H36 | H37 | 120.0° | 120.0° |
| C12 | C13 | H36 | H38 | 120.0° | 120.0° |
| C12 | C13 | H37 | H38 | 120.0° | 120.0° |
| C13 | C12 | C14 | H39 | 47.1° | 56.2° |
| C12 | O8 | C5 | C3 | 1.9° | 5.5° |
| C12 | O8 | C5 | C6 | 178.0° | 174.6° |
| O8 | C12 | C13 | H36 | 62.3° | 180.0° |
| O8 | C12 | C13 | H37 | 177.7° | 60.0° |
| O8 | C12 | C13 | H38 | 57.7° | 60.1° |
| O8 | C12 | C14 | H39 | 164.9° | 63.7° |
| O8 | C5 | C3 | C6 | 175.9° | 179.8° |
| O8 | C5 | C6 | C9 | 4.7° | 0.2° |
| O8 | C5 | C3 | C1 | 177.0° | 180.0° |
| O8 | C5 | C6 | C4 | 179.8° | 179.7° |
| C5 | O8 | C12 | H35 | 36.3° | 35.2° |
| O8 | C5 | C3 | H31 | 3.0° | 0.2° |
| C3 | C5 | C6 | C9 | 179.0° | 180.0° |
| C5 | C3 | C1 | H31 | 180.0° | 179.8° |
| C3 | C5 | C6 | C4 | 3.5° | 0.1° |
| C5 | C3 | C1 | C20 | 176.4° | 180.0° |
| C5 | C3 | C1 | C2 | 3.0° | 0.5° |
| C5 | C6 | C9 | C4 | 175.5° | 179.9° |
| C5 | C6 | C9 | C11 | 178.1° | 180.0° |
| C6 | C5 | C3 | C1 | 1.1° | 0.2° |
| C5 | C6 | C4 | C2 | 1.9° | 0.1° |
| C5 | C6 | C4 | N7 | 176.8° | 179.7° |
| C6 | C5 | C3 | H31 | 178.9° | 180.0° |
| C5 | C6 | C9 | H32 | 1.9° | 0.0° |
| C6 | C9 | C11 | H32 | 180.0° | 179.9° |
| C6 | C9 | C11 | C10 | 2.4° | 0.3° |
| C9 | C6 | C4 | C2 | 177.7° | 180.0° |
| C9 | C6 | C4 | N7 | 1.0° | 0.2° |
| C6 | C9 | C11 | H34 | 177.6° | 180.0° |
| C11 | C9 | C6 | C4 | 2.6° | 0.1° |
| C9 | C11 | C10 | H34 | 180.0° | 179.7° |
| C9 | C11 | C10 | N7 | 0.4° | 0.3° |
| C9 | C11 | C10 | H33 | 179.6° | 179.7° |
| C3 | C1 | C20 | C21 | 43.4° | 64.3° |
| C3 | C1 | C20 | C2 | 173.5° | 179.5° |
| C3 | C1 | C2 | C4 | 4.6° | 0.5° |
| C3 | C1 | C20 | C23 | 127.8° | 115.6° |
| C3 | C1 | C2 | H30 | 175.4° | 179.4° |
| C6 | C4 | C2 | C1 | 2.1° | 0.2° |
| C6 | C4 | C2 | N7 | 178.7° | 179.8° |
| C6 | C4 | N7 | C10 | 0.9° | 0.2° |
| C6 | C4 | C2 | H30 | 177.9° | 179.7° |
| C4 | C6 | C9 | H32 | 177.4° | 180.0° |
| C11 | C10 | N7 | C4 | 1.2° | 0.0° |
| C11 | C10 | N7 | H33 | 180.0° | 180.0° |
| C10 | C11 | C9 | H32 | 177.6° | 179.7° |
| C22 | C21 | C20 | H45 | 180.0° | 179.9° |
| C22 | C21 | C20 | C1 | 176.9° | 179.7° |
| C21 | C22 | C25 | H46 | 180.0° | 179.9° |
| C22 | C21 | C20 | C23 | 5.8° | 0.1° |
| C21 | C22 | C25 | N24 | 0.2° | 0.1° |
| C21 | C22 | C25 | N26 | 177.8° | 179.9° |
| C21 | C20 | C1 | C23 | 171.2° | 179.8° |
| C21 | C20 | C1 | C2 | 143.2° | 115.3° |
| C20 | C21 | C22 | C25 | 1.7° | 0.1° |
| C21 | C20 | C23 | N24 | 7.6° | 0.1° |
| C20 | C21 | C22 | H46 | 178.3° | 180.0° |
| C21 | C20 | C23 | H47 | 172.3° | 180.0° |
| C20 | C1 | C2 | C4 | 178.0° | 180.0° |
| C1 | C20 | C23 | N24 | 179.0° | 179.7° |
| C1 | C20 | C21 | H45 | 3.1° | 0.2° |
| C20 | C1 | C2 | H30 | 2.0° | 0.1° |
| C1 | C20 | C23 | H47 | 1.0° | 0.2° |
| C20 | C1 | C3 | H31 | 3.6° | 0.2° |
| C1 | C2 | C4 | H30 | 180.0° | 179.9° |
| C1 | C2 | C4 | N7 | 179.2° | 180.0° |
| C2 | C1 | C20 | C23 | 45.6° | 64.9° |
| C2 | C1 | C3 | H31 | 177.0° | 179.7° |
| C22 | C25 | N24 | N26 | 178.2° | 179.9° |
| C22 | C25 | N24 | C23 | 2.0° | 0.1° |
| C22 | C25 | N24 | C28 | 175.5° | 179.9° |
| C22 | C25 | N26 | N27 | 176.6° | 179.9° |
| C25 | C22 | C21 | H45 | 178.3° | 180.0° |
| C2 | C4 | N7 | C10 | 179.5° | 180.0° |
| C4 | N7 | C10 | H33 | 178.8° | 180.0° |
| N7 | C4 | C2 | H30 | 0.8° | 0.1° |
| C20 | C23 | N24 | C25 | 6.0° | 0.1° |
| C20 | C23 | N24 | H47 | 180.0° | 179.9° |
| C20 | C23 | N24 | C28 | 177.7° | 179.9° |
| C23 | C20 | C21 | H45 | 174.2° | 180.0° |
| N7 | C10 | C11 | H34 | 179.6° | 180.0° |
| C25 | N24 | C23 | C28 | 171.7° | 180.0° |
| N24 | C25 | N26 | N27 | 1.2° | 0.0° |
| C25 | N24 | C28 | N27 | 3.2° | 0.0° |
| C25 | N24 | C28 | C29 | 179.4° | 180.0° |
| N24 | C25 | C22 | H46 | 179.9° | 180.0° |
| C25 | N24 | C23 | H47 | 174.0° | 180.0° |
| N26 | C25 | N24 | C23 | 176.2° | 180.0° |
| N26 | C25 | N24 | C28 | 2.7° | 0.0° |
| C25 | N26 | N27 | C28 | 0.9° | 0.0° |
| N26 | C25 | C22 | H46 | 2.2° | 0.1° |
| C23 | N24 | C28 | N27 | 176.0° | 180.0° |
| C23 | N24 | C28 | C29 | 6.7° | 0.0° |
| N24 | C28 | N27 | N26 | 2.6° | 0.0° |
| N24 | C28 | N27 | C29 | 177.2° | 180.0° |
| C28 | N24 | C23 | H47 | 2.3° | 0.0° |
| N24 | C28 | C29 | H50 | 176.8° | 90.1° |
| N24 | C28 | C29 | H48 | 63.1° | 29.9° |
| N24 | C28 | C29 | H49 | 56.9° | 149.9° |
| N26 | N27 | C28 | C29 | 179.8° | 180.0° |
| N27 | C28 | C29 | H50 | 0.0° | 89.9° |
| N27 | C28 | C29 | H48 | 120.0° | 150.1° |
| N27 | C28 | C29 | H49 | 120.0° | 30.1° |
| C28 | C29 | H50 | H48 | 120.0° | 120.0° |
| C28 | C29 | H50 | H49 | 120.0° | 120.0° |
| C28 | C29 | H48 | H49 | 120.0° | 120.0° |
| H33 | C10 | C11 | H34 | 0.4° | 0.0° |
| H36 | C13 | H37 | H38 | 120.0° | 119.9° |
| H36 | C13 | C12 | H35 | 57.1° | 60.0° |
| H37 | C13 | C12 | H35 | 62.9° | 180.0° |
| H38 | C13 | C12 | H35 | 177.1° | 60.0° |
| H40 | C15 | C14 | H39 | 104.2° | 148.0° |
| H41 | C15 | C14 | H39 | 17.3° | 25.4° |
| H45 | C21 | C22 | H46 | 1.7° | 0.1° |
| H34 | C11 | C9 | H32 | 2.4° | 0.0° |
| H35 | C12 | C14 | H39 | 76.0° | 176.2° |
| H39 | C14 | C18 | H43 | 17.6° | 26.3° |
| H39 | C14 | C18 | H44 | 104.2° | 148.3° |
| H43 | C18 | N17 | H42 | 75.8° | 44.0° |
| H44 | C18 | N17 | H42 | 45.9° | 78.0° |
| H50 | C29 | H48 | H49 | 120.0° | 120.0° |
