QZE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C10 | sing | 1.43Å | 1.40Å | |
| C14 | N15 | trip | 1.14Å | 1.16Å | |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| C31 | C27 | doub | 1.36Å | 1.34Å | Aromatic |
| C31 | N30 | sing | 1.35Å | 1.26Å | Aromatic |
| C28 | C27 | sing | 1.41Å | 1.46Å | Aromatic |
| C28 | N29 | doub | 1.31Å | 1.53Å | Aromatic |
| C3 | C27 | sing | 1.49Å | 1.44Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C9 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.46Å | |
| C19 | C22 | sing | 1.48Å | 1.48Å | |
| C4 | C26 | sing | 1.50Å | 1.49Å | |
| C10 | C9 | doub | 1.41Å | 1.35Å | |
| C10 | C11 | sing | 1.42Å | 1.49Å | |
| C9 | C8 | sing | 1.40Å | 1.42Å | |
| C7 | C8 | doub | 1.38Å | 1.33Å | |
| C7 | N13 | sing | 1.37Å | 1.34Å | |
| C8 | C25 | sing | 1.51Å | 1.48Å | |
| C11 | N13 | sing | 1.35Å | 1.36Å | |
| C11 | O12 | doub | 1.22Å | 1.22Å | |
| C22 | O23 | doub | 1.22Å | 1.22Å | |
| C22 | O24 | sing | 1.35Å | 1.37Å | |
| C26 | C25 | sing | 1.53Å | 1.49Å | |
| N30 | N29 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C14 | N15 | 177.4° | 180.0° |
| C14 | C10 | C9 | 125.8° | 120.5° |
| C14 | C10 | C11 | 114.5° | 120.5° |
| C2 | C1 | C6 | 119.8° | 120.2° |
| C1 | C2 | C3 | 118.8° | 120.3° |
| C2 | C1 | H1 | 120.1° | 119.9° |
| C1 | C2 | H2 | 120.6° | 119.9° |
| C1 | C6 | C5 | 121.8° | 120.0° |
| C6 | C1 | H1 | 120.1° | 119.9° |
| C1 | C6 | H6 | 119.1° | 120.0° |
| C2 | C3 | C27 | 115.6° | 120.1° |
| C2 | C3 | C4 | 121.6° | 119.9° |
| C3 | C2 | H2 | 120.6° | 119.9° |
| C6 | C5 | C4 | 118.7° | 120.0° |
| C6 | C5 | C7 | 121.5° | 120.8° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C18 | C17 | C16 | 121.7° | 120.0° |
| C17 | C18 | C19 | 119.2° | 119.9° |
| C18 | C17 | H17 | 119.2° | 120.0° |
| C17 | C18 | H18 | 120.4° | 120.0° |
| C17 | C16 | C21 | 117.8° | 120.0° |
| C17 | C16 | C9 | 121.1° | 120.0° |
| C16 | C17 | H17 | 119.2° | 120.0° |
| C20 | C21 | C16 | 121.5° | 120.0° |
| C21 | C20 | C19 | 119.9° | 120.0° |
| C20 | C21 | H21 | 119.3° | 120.0° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C21 | C16 | C9 | 121.1° | 120.0° |
| C16 | C21 | H21 | 119.3° | 120.0° |
| C18 | C19 | C20 | 120.0° | 120.0° |
| C18 | C19 | C22 | 122.3° | 120.0° |
| C19 | C18 | H18 | 120.4° | 120.1° |
| C20 | C19 | C22 | 117.7° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C27 | C31 | N30 | 116.7° | 107.6° |
| C31 | C27 | C28 | 109.2° | 107.6° |
| C31 | C27 | C3 | 127.9° | 126.2° |
| C27 | C31 | H31 | 121.6° | 126.2° |
| C31 | N30 | N29 | 106.3° | 108.2° |
| N30 | C31 | H31 | 121.6° | 126.2° |
| C31 | N30 | H30 | 126.8° | 125.9° |
| C27 | C28 | N29 | 97.8° | 108.1° |
| C28 | C27 | C3 | 123.0° | 126.2° |
| C27 | C28 | H28 | 131.1° | 126.0° |
| C28 | N29 | N30 | 110.0° | 108.5° |
| N29 | C28 | H28 | 131.1° | 125.9° |
| C27 | C3 | C4 | 122.8° | 120.1° |
| C3 | C4 | C5 | 119.2° | 119.6° |
| C3 | C4 | C26 | 120.1° | 120.3° |
| C16 | C9 | C10 | 119.1° | 120.5° |
| C16 | C9 | C8 | 121.9° | 120.6° |
| C4 | C5 | C7 | 119.7° | 119.2° |
| C5 | C4 | C26 | 120.7° | 120.0° |
| C5 | C7 | C8 | 120.7° | 119.2° |
| C5 | C7 | N13 | 118.5° | 120.0° |
| C19 | C22 | O23 | 122.9° | 120.0° |
| C19 | C22 | O24 | 109.9° | 120.0° |
| C4 | C26 | C25 | 116.1° | 110.5° |
| C4 | C26 | H261 | 107.8° | 109.3° |
| C4 | C26 | H262 | 107.8° | 109.3° |
| C9 | C10 | C11 | 119.8° | 119.1° |
| C10 | C9 | C8 | 119.0° | 118.9° |
| C10 | C11 | N13 | 116.0° | 120.2° |
| C10 | C11 | O12 | 122.5° | 119.9° |
| C9 | C8 | C7 | 121.0° | 119.8° |
| C9 | C8 | C25 | 116.0° | 119.9° |
| C8 | C7 | N13 | 120.7° | 120.8° |
| C7 | C8 | C25 | 123.0° | 120.3° |
| C7 | N13 | C11 | 123.5° | 121.2° |
| C7 | N13 | H13 | 118.3° | 119.4° |
| C8 | C25 | C26 | 114.2° | 110.6° |
| C8 | C25 | H251 | 108.3° | 109.2° |
| C8 | C25 | H252 | 108.3° | 109.2° |
| N13 | C11 | O12 | 121.5° | 119.9° |
| C11 | N13 | H13 | 118.3° | 119.4° |
| O23 | C22 | O24 | 127.1° | 119.9° |
| C22 | O24 | H24 | 109.5° | 117.0° |
| C25 | C26 | H261 | 107.8° | 109.3° |
| C25 | C26 | H262 | 107.8° | 109.3° |
| C26 | C25 | H251 | 108.3° | 109.3° |
| C26 | C25 | H252 | 108.3° | 109.2° |
| N29 | N30 | H30 | 126.9° | 125.9° |
| H261 | C26 | H262 | 109.5° | 109.1° |
| H251 | C25 | H252 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C10 | C9 | C16 | 0.8° | 0.5° |
| C14 | C10 | C9 | C11 | 179.6° | 179.9° |
| C14 | C10 | C9 | C8 | 179.3° | 179.4° |
| C14 | C10 | C11 | N13 | 179.9° | 179.2° |
| C14 | C10 | C11 | O12 | 0.7° | 0.7° |
| N15 | C14 | C10 | C9 | 11.5° | 119.8° |
| N15 | C14 | C10 | C11 | 168.2° | 60.3° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.9° | 0.1° |
| C1 | C2 | C3 | C27 | 179.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C1 | C6 | H6 | 179.1° | 179.9° |
| C6 | C1 | C2 | C3 | 0.6° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 1.0° | 0.9° |
| C1 | C6 | C5 | C7 | 179.0° | 179.8° |
| C6 | C1 | C2 | H2 | 179.4° | 179.6° |
| C2 | C3 | C27 | C31 | 134.2° | 50.0° |
| C2 | C3 | C27 | C28 | 47.5° | 130.0° |
| C2 | C3 | C27 | C4 | 179.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 1.0° |
| C2 | C3 | C4 | C26 | 179.2° | 177.8° |
| C3 | C2 | C1 | H1 | 179.4° | 179.8° |
| C6 | C5 | C4 | C3 | 0.8° | 1.4° |
| C6 | C5 | C4 | C7 | 178.1° | 179.3° |
| C6 | C5 | C4 | C26 | 178.9° | 177.4° |
| C6 | C5 | C7 | C8 | 173.0° | 164.8° |
| C6 | C5 | C7 | N13 | 9.7° | 15.4° |
| C5 | C6 | C1 | H1 | 179.1° | 179.8° |
| C18 | C17 | C16 | H17 | 180.0° | 179.6° |
| C18 | C17 | C16 | C21 | 0.1° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C16 | C9 | 179.3° | 180.0° |
| C17 | C18 | C19 | C22 | 179.4° | 179.9° |
| C17 | C16 | C21 | C20 | 0.1° | 0.0° |
| C17 | C16 | C21 | C9 | 179.3° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C16 | C9 | C10 | 122.6° | 65.0° |
| C17 | C16 | C9 | C8 | 57.3° | 115.0° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C16 | C21 | H21 | 179.9° | 179.9° |
| C20 | C21 | C16 | H21 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.2° | 0.1° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | C21 | C16 | C9 | 179.2° | 179.9° |
| C21 | C20 | C19 | C22 | 179.5° | 179.9° |
| C16 | C21 | C20 | C19 | 0.0° | 0.1° |
| C21 | C16 | C9 | C10 | 56.7° | 115.1° |
| C21 | C16 | C9 | C8 | 123.4° | 65.0° |
| C21 | C16 | C17 | H17 | 180.0° | 179.7° |
| C16 | C21 | C20 | H20 | 179.9° | 180.0° |
| C18 | C19 | C20 | C22 | 179.7° | 180.0° |
| C18 | C19 | C22 | O23 | 164.0° | 0.0° |
| C18 | C19 | C22 | O24 | 18.9° | 180.0° |
| C19 | C18 | C17 | H17 | 179.8° | 179.7° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C20 | C19 | C22 | O23 | 16.2° | 180.0° |
| C20 | C19 | C22 | O24 | 160.9° | 0.0° |
| C20 | C19 | C18 | H18 | 179.7° | 180.0° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C27 | C31 | N30 | H31 | 180.0° | 179.8° |
| C31 | C27 | C28 | C3 | 178.6° | 180.0° |
| C31 | C27 | C28 | N29 | 0.9° | 0.0° |
| C31 | C27 | C3 | C4 | 46.8° | 130.0° |
| C27 | C31 | N30 | N29 | 0.1° | 0.0° |
| C27 | C31 | N30 | H30 | 179.8° | 180.0° |
| C31 | C27 | C28 | H28 | 179.1° | 179.9° |
| N30 | C31 | C27 | C28 | 0.7° | 0.0° |
| C31 | N30 | N29 | C28 | 0.5° | 0.0° |
| N30 | C31 | C27 | C3 | 179.3° | 180.0° |
| C31 | N30 | N29 | H30 | 180.0° | 180.0° |
| C27 | C28 | N29 | H28 | 180.0° | 180.0° |
| C28 | C27 | C3 | C4 | 131.5° | 50.0° |
| C27 | C28 | N29 | N30 | 0.8° | 0.0° |
| C28 | C27 | C31 | H31 | 179.3° | 179.8° |
| N29 | C28 | C27 | C3 | 179.5° | 180.0° |
| C28 | N29 | N30 | H30 | 179.5° | 180.0° |
| C27 | C3 | C4 | C5 | 179.5° | 179.1° |
| C27 | C3 | C4 | C26 | 0.2° | 2.1° |
| C27 | C3 | C2 | H2 | 0.5° | 0.0° |
| C3 | C27 | C31 | H31 | 0.7° | 0.2° |
| C3 | C27 | C28 | H28 | 0.5° | 0.0° |
| C3 | C4 | C5 | C26 | 179.7° | 178.8° |
| C3 | C4 | C5 | C7 | 178.9° | 179.3° |
| C3 | C4 | C26 | C25 | 162.6° | 145.8° |
| C4 | C3 | C2 | H2 | 179.5° | 179.9° |
| C3 | C4 | C26 | H261 | 76.4° | 93.9° |
| C3 | C4 | C26 | H262 | 41.7° | 25.5° |
| C16 | C9 | C10 | C8 | 179.9° | 180.0° |
| C16 | C9 | C10 | C11 | 178.8° | 179.4° |
| C16 | C9 | C8 | C7 | 179.1° | 179.3° |
| C16 | C9 | C8 | C25 | 1.2° | 1.9° |
| C9 | C16 | C17 | H17 | 0.7° | 0.3° |
| C9 | C16 | C21 | H21 | 0.8° | 0.0° |
| C4 | C5 | C7 | C8 | 8.9° | 15.8° |
| C4 | C5 | C7 | N13 | 168.4° | 164.0° |
| C5 | C4 | C26 | C25 | 17.6° | 35.4° |
| C4 | C5 | C6 | H6 | 179.0° | 179.1° |
| C5 | C4 | C26 | H261 | 103.3° | 84.9° |
| C5 | C4 | C26 | H262 | 138.6° | 155.7° |
| C7 | C5 | C4 | C26 | 0.8° | 1.9° |
| C5 | C7 | C8 | C9 | 176.9° | 178.2° |
| C5 | C7 | C8 | N13 | 177.2° | 179.8° |
| C5 | C7 | C8 | C25 | 2.8° | 3.1° |
| C5 | C7 | N13 | C11 | 176.1° | 178.4° |
| C7 | C5 | C6 | H6 | 1.0° | 0.2° |
| C5 | C7 | N13 | H13 | 3.9° | 1.7° |
| C19 | C22 | O23 | O24 | 176.6° | 180.0° |
| C22 | C19 | C18 | H18 | 0.6° | 0.0° |
| C22 | C19 | C20 | H20 | 0.4° | 0.0° |
| C19 | C22 | O24 | H24 | 176.9° | 179.9° |
| C4 | C26 | C25 | C8 | 27.3° | 50.7° |
| C4 | C26 | C25 | H261 | 121.0° | 120.3° |
| C4 | C26 | C25 | H262 | 120.9° | 120.3° |
| C4 | C26 | H261 | H262 | 117.0° | 119.5° |
| C4 | C26 | C25 | H251 | 93.4° | 69.6° |
| C4 | C26 | C25 | H252 | 148.0° | 170.9° |
| C10 | C9 | C8 | C7 | 0.8° | 0.6° |
| C10 | C9 | C8 | C25 | 178.9° | 178.1° |
| C9 | C10 | C11 | N13 | 0.2° | 0.9° |
| C9 | C10 | C11 | O12 | 178.9° | 179.3° |
| C11 | C10 | C9 | C8 | 1.1° | 0.6° |
| C10 | C11 | N13 | C7 | 0.9° | 0.1° |
| C10 | C11 | N13 | O12 | 179.2° | 179.8° |
| C10 | C11 | N13 | H13 | 179.1° | 179.8° |
| C9 | C8 | C7 | C25 | 179.8° | 178.7° |
| C9 | C8 | C7 | N13 | 0.3° | 1.6° |
| C9 | C8 | C25 | C26 | 158.7° | 144.5° |
| C9 | C8 | C25 | H251 | 80.6° | 95.2° |
| C9 | C8 | C25 | H252 | 38.0° | 24.2° |
| C8 | C7 | N13 | C11 | 1.2° | 1.4° |
| C7 | C8 | C25 | C26 | 21.0° | 36.8° |
| C8 | C7 | N13 | H13 | 178.8° | 178.5° |
| C7 | C8 | C25 | H251 | 99.6° | 83.5° |
| C7 | C8 | C25 | H252 | 141.7° | 157.0° |
| N13 | C7 | C8 | C25 | 179.9° | 177.1° |
| C7 | N13 | C11 | H13 | 180.0° | 179.9° |
| C7 | N13 | C11 | O12 | 179.9° | 179.7° |
| C8 | C25 | C26 | H251 | 120.7° | 120.3° |
| C8 | C25 | C26 | H252 | 120.7° | 120.2° |
| C8 | C25 | C26 | H261 | 93.7° | 69.7° |
| C8 | C25 | C26 | H262 | 148.2° | 171.0° |
| C8 | C25 | H251 | H252 | 117.9° | 119.4° |
| O12 | C11 | N13 | H13 | 0.1° | 0.4° |
| O23 | C22 | O24 | H24 | 0.0° | 0.0° |
| C25 | C26 | H261 | H262 | 117.0° | 119.5° |
| C26 | C25 | H251 | H252 | 117.8° | 119.5° |
| N29 | N30 | C31 | H31 | 179.8° | 179.8° |
| N30 | N29 | C28 | H28 | 179.2° | 179.9° |
| H1 | C1 | C2 | H2 | 0.6° | 0.2° |
| H1 | C1 | C6 | H6 | 0.9° | 0.2° |
| H17 | C17 | C18 | H18 | 0.2° | 0.4° |
| H21 | C21 | C20 | H20 | 0.0° | 0.1° |
| H31 | C31 | N30 | H30 | 0.2° | 0.2° |
| H261 | C26 | C25 | H251 | 145.6° | 170.1° |
| H261 | C26 | C25 | H252 | 27.0° | 50.6° |
| H262 | C26 | C25 | H251 | 27.5° | 50.7° |
| H262 | C26 | C25 | H252 | 91.1° | 68.8° |
