NQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C19 | sing | 1.43Å | 1.42Å | |
| O17 | C16 | sing | 1.43Å | 1.38Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C15 | C6 | sing | 1.51Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | C23 | sing | 1.53Å | 1.59Å | |
| C16 | C1 | sing | 1.51Å | 1.58Å | |
| C6 | C1 | doub | 1.38Å | 1.46Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.45Å | Aromatic |
| O11 | C10 | doub | 1.22Å | 1.42Å | |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | O25 | sing | 1.43Å | 1.40Å | |
| C23 | C22 | sing | 1.53Å | 1.57Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C5 | C10 | sing | 1.47Å | 1.45Å | |
| C5 | C4 | doub | 1.41Å | 1.40Å | Aromatic |
| C32 | C29 | sing | 1.51Å | 1.56Å | |
| C10 | N9 | sing | 1.35Å | 1.37Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| N30 | C29 | doub | 1.32Å | 1.35Å | Aromatic |
| N30 | C13 | sing | 1.32Å | 1.33Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| N9 | C13 | sing | 1.39Å | 1.47Å | |
| N9 | C8 | sing | 1.34Å | 1.36Å | |
| C4 | C3 | sing | 1.39Å | 1.47Å | Aromatic |
| C4 | N7 | sing | 1.39Å | 1.39Å | |
| C13 | N26 | doub | 1.32Å | 1.32Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| N26 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C27 | C31 | sing | 1.51Å | 1.56Å | |
| N7 | C8 | sing | 1.34Å | 1.36Å | |
| N7 | C14 | sing | 1.46Å | 1.48Å | |
| C8 | O12 | doub | 1.22Å | 1.19Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| O17 | H26 | sing | 0.97Å | 0.95Å | |
| O24 | H27 | sing | 0.97Å | 0.95Å | |
| O25 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C19 | C20 | 111.4° | 109.4° |
| O24 | C19 | C18 | 109.0° | 109.4° |
| O24 | C19 | H18 | 108.1° | 109.5° |
| C19 | O24 | H27 | 109.5° | 114.0° |
| O17 | C16 | C18 | 111.8° | 109.5° |
| O17 | C16 | C1 | 109.0° | 109.5° |
| O17 | C16 | H16 | 105.8° | 109.4° |
| C16 | O17 | H26 | 109.5° | 114.0° |
| C20 | C19 | C18 | 114.2° | 109.5° |
| C19 | C20 | C21 | 106.8° | 109.4° |
| C19 | C20 | H4 | 110.2° | 109.5° |
| C19 | C20 | H5 | 110.2° | 109.5° |
| C20 | C19 | H18 | 107.1° | 109.5° |
| C19 | C18 | C16 | 105.0° | 109.5° |
| C19 | C18 | C23 | 111.2° | 109.4° |
| C19 | C18 | H17 | 106.4° | 109.5° |
| C18 | C19 | H18 | 106.8° | 109.5° |
| C15 | C6 | C1 | 119.4° | 120.2° |
| C15 | C6 | C5 | 121.9° | 120.3° |
| C6 | C15 | H1 | 109.5° | 109.4° |
| C6 | C15 | H2 | 109.5° | 109.4° |
| C6 | C15 | H3 | 109.5° | 109.5° |
| C20 | C21 | C22 | 113.2° | 109.5° |
| C21 | C20 | H4 | 110.2° | 109.5° |
| C21 | C20 | H5 | 110.1° | 109.5° |
| C20 | C21 | H6 | 108.5° | 109.4° |
| C20 | C21 | H7 | 108.5° | 109.5° |
| C16 | C18 | C23 | 121.1° | 109.5° |
| C18 | C16 | C1 | 120.8° | 109.5° |
| C18 | C16 | H16 | 104.2° | 109.5° |
| C16 | C18 | H17 | 106.4° | 109.5° |
| C18 | C23 | O25 | 113.0° | 109.5° |
| C18 | C23 | C22 | 118.3° | 109.5° |
| C23 | C18 | H17 | 105.8° | 109.5° |
| C18 | C23 | H19 | 104.2° | 109.5° |
| C16 | C1 | C6 | 126.3° | 119.8° |
| C16 | C1 | C2 | 112.7° | 119.8° |
| C1 | C16 | H16 | 103.7° | 109.4° |
| C1 | C6 | C5 | 118.8° | 119.5° |
| C6 | C1 | C2 | 121.0° | 120.4° |
| C6 | C5 | C10 | 125.4° | 121.7° |
| C6 | C5 | C4 | 118.8° | 120.0° |
| O11 | C10 | C5 | 124.2° | 120.9° |
| O11 | C10 | N9 | 115.9° | 120.8° |
| C1 | C2 | C3 | 120.4° | 120.7° |
| C1 | C2 | H11 | 119.8° | 119.6° |
| O25 | C23 | C22 | 109.7° | 109.5° |
| O25 | C23 | H19 | 106.1° | 109.4° |
| C23 | O25 | H28 | 109.5° | 113.9° |
| C23 | C22 | C21 | 113.6° | 109.5° |
| C23 | C22 | H8 | 108.4° | 109.4° |
| C23 | C22 | H9 | 108.4° | 109.5° |
| C22 | C23 | H19 | 104.3° | 109.5° |
| C22 | C21 | H6 | 108.5° | 109.5° |
| C22 | C21 | H7 | 108.5° | 109.5° |
| C21 | C22 | H8 | 108.4° | 109.5° |
| C21 | C22 | H9 | 108.4° | 109.5° |
| C10 | C5 | C4 | 115.8° | 118.3° |
| C5 | C10 | N9 | 119.9° | 118.3° |
| C5 | C4 | C3 | 121.7° | 119.7° |
| C5 | C4 | N7 | 121.7° | 118.7° |
| C32 | C29 | N30 | 119.7° | 120.4° |
| C32 | C29 | C28 | 119.1° | 120.4° |
| C29 | C32 | H23 | 109.5° | 109.5° |
| C29 | C32 | H24 | 109.5° | 109.4° |
| C29 | C32 | H25 | 109.5° | 109.5° |
| C10 | N9 | C13 | 118.6° | 119.3° |
| C10 | N9 | C8 | 122.4° | 121.3° |
| C2 | C3 | C4 | 119.3° | 119.8° |
| C3 | C2 | H11 | 119.8° | 119.7° |
| C2 | C3 | H12 | 120.4° | 120.1° |
| C29 | N30 | C13 | 118.7° | 120.8° |
| N30 | C29 | C28 | 121.2° | 119.2° |
| N30 | C13 | N9 | 125.2° | 119.2° |
| N30 | C13 | N26 | 121.5° | 121.6° |
| C29 | C28 | C27 | 117.9° | 118.5° |
| C29 | C28 | H10 | 121.0° | 120.7° |
| C13 | N9 | C8 | 118.9° | 119.4° |
| N9 | C13 | N26 | 113.3° | 119.2° |
| N9 | C8 | N7 | 119.3° | 122.8° |
| N9 | C8 | O12 | 120.1° | 118.6° |
| C3 | C4 | N7 | 116.6° | 121.6° |
| C4 | C3 | H12 | 120.3° | 120.1° |
| C4 | N7 | C8 | 120.8° | 120.6° |
| C4 | N7 | C14 | 118.4° | 119.6° |
| C13 | N26 | C27 | 123.2° | 120.8° |
| C28 | C27 | N26 | 117.4° | 119.2° |
| C28 | C27 | C31 | 122.7° | 120.4° |
| C27 | C28 | H10 | 121.0° | 120.8° |
| N26 | C27 | C31 | 119.9° | 120.4° |
| C27 | C31 | H20 | 109.5° | 109.5° |
| C27 | C31 | H21 | 109.4° | 109.4° |
| C27 | C31 | H22 | 109.5° | 109.5° |
| C8 | N7 | C14 | 120.8° | 119.7° |
| N7 | C8 | O12 | 120.5° | 118.6° |
| N7 | C14 | H13 | 109.5° | 109.5° |
| N7 | C14 | H14 | 109.5° | 109.5° |
| N7 | C14 | H15 | 109.5° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.4° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H13 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H20 | C31 | H21 | 109.5° | 109.5° |
| H20 | C31 | H22 | 109.5° | 109.5° |
| H21 | C31 | H22 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.5° |
| H23 | C32 | H25 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C19 | C20 | C18 | 124.0° | 119.9° |
| O24 | C19 | C20 | H18 | 118.0° | 120.0° |
| O24 | C19 | C18 | H18 | 116.5° | 120.0° |
| O24 | C19 | C20 | C21 | 166.9° | 180.0° |
| O24 | C19 | C18 | C16 | 77.0° | 60.1° |
| O24 | C19 | C18 | C23 | 150.3° | 180.0° |
| O24 | C19 | C20 | H4 | 73.5° | 60.0° |
| O24 | C19 | C20 | H5 | 47.3° | 60.0° |
| O24 | C19 | C18 | H17 | 35.6° | 60.0° |
| O17 | C16 | C18 | C19 | 80.0° | 55.0° |
| O17 | C16 | C18 | C1 | 130.4° | 120.0° |
| O17 | C16 | C18 | H16 | 113.8° | 120.0° |
| O17 | C16 | C18 | C23 | 153.3° | 64.9° |
| O17 | C16 | C1 | H16 | 112.3° | 120.0° |
| O17 | C16 | C1 | C6 | 67.5° | 155.0° |
| O17 | C16 | C1 | C2 | 111.3° | 25.0° |
| O17 | C16 | C18 | H17 | 32.6° | 175.1° |
| C20 | C19 | C18 | H18 | 118.1° | 120.1° |
| C19 | C20 | C21 | H4 | 119.6° | 120.0° |
| C19 | C20 | C21 | H5 | 119.6° | 120.0° |
| C20 | C19 | C18 | C16 | 157.7° | 180.0° |
| C20 | C19 | C18 | C23 | 25.0° | 60.1° |
| C19 | C20 | C21 | C22 | 63.1° | 60.0° |
| C19 | C20 | H4 | H5 | 121.3° | 120.0° |
| C19 | C20 | C21 | H6 | 176.3° | 180.0° |
| C19 | C20 | C21 | H7 | 57.4° | 60.1° |
| C20 | C19 | C18 | H17 | 89.7° | 59.9° |
| C20 | C19 | O24 | H27 | 180.0° | 60.0° |
| C18 | C19 | C20 | C21 | 69.1° | 60.0° |
| C19 | C18 | C16 | C23 | 126.8° | 119.9° |
| C19 | C18 | C16 | H17 | 112.6° | 120.1° |
| C19 | C18 | C23 | H17 | 115.1° | 120.0° |
| C19 | C18 | C16 | C1 | 149.7° | 65.1° |
| C19 | C18 | C23 | O25 | 152.6° | 60.0° |
| C19 | C18 | C23 | C22 | 22.5° | 60.0° |
| C18 | C19 | C20 | H4 | 50.5° | 180.0° |
| C18 | C19 | C20 | H5 | 171.3° | 59.9° |
| C19 | C18 | C16 | H16 | 33.8° | 175.0° |
| C19 | C18 | C23 | H19 | 92.7° | 179.9° |
| C18 | C19 | O24 | H27 | 53.1° | 180.0° |
| C15 | C6 | C1 | C16 | 1.5° | 0.0° |
| C15 | C6 | C1 | C5 | 178.3° | 179.9° |
| C15 | C6 | C1 | C2 | 179.9° | 180.0° |
| C15 | C6 | C5 | C10 | 0.7° | 0.1° |
| C15 | C6 | C5 | C4 | 179.7° | 179.9° |
| C6 | C15 | H1 | H2 | 120.0° | 120.0° |
| C6 | C15 | H1 | H3 | 120.0° | 120.0° |
| C6 | C15 | H2 | H3 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 16.5° | 60.0° |
| C20 | C21 | C22 | H6 | 120.6° | 119.9° |
| C20 | C21 | C22 | H7 | 120.5° | 120.1° |
| C21 | C20 | H4 | H5 | 121.2° | 120.0° |
| C20 | C21 | H6 | H7 | 118.3° | 120.0° |
| C20 | C21 | C22 | H8 | 137.1° | 59.9° |
| C20 | C21 | C22 | H9 | 104.1° | 180.0° |
| C21 | C20 | C19 | H18 | 48.8° | 60.1° |
| C16 | C18 | C23 | H17 | 120.9° | 120.0° |
| C18 | C16 | C1 | H16 | 116.1° | 120.0° |
| C18 | C16 | C1 | C6 | 64.1° | 85.0° |
| C18 | C16 | C1 | C2 | 117.1° | 95.0° |
| C16 | C18 | C23 | O25 | 28.7° | 59.9° |
| C16 | C18 | C23 | C22 | 101.5° | 180.0° |
| C16 | C18 | C19 | H18 | 39.6° | 59.9° |
| C16 | C18 | C23 | H19 | 143.4° | 60.0° |
| C18 | C16 | O17 | H26 | 180.0° | 60.0° |
| C23 | C18 | C16 | C1 | 22.9° | 175.0° |
| C18 | C23 | O25 | C22 | 134.4° | 120.0° |
| C18 | C23 | O25 | H19 | 113.5° | 120.0° |
| C18 | C23 | C22 | H19 | 115.1° | 120.0° |
| C18 | C23 | C22 | C21 | 27.1° | 60.0° |
| C18 | C23 | C22 | H8 | 93.6° | 60.0° |
| C18 | C23 | C22 | H9 | 147.7° | 180.0° |
| C23 | C18 | C16 | H16 | 93.0° | 55.0° |
| C23 | C18 | C19 | H18 | 93.1° | 60.0° |
| C18 | C23 | O25 | H28 | 180.0° | 180.0° |
| C16 | C1 | C6 | C2 | 178.7° | 180.0° |
| C16 | C1 | C6 | C5 | 179.7° | 180.0° |
| C16 | C1 | C2 | C3 | 179.7° | 180.0° |
| C16 | C1 | C2 | H11 | 0.3° | 0.1° |
| C1 | C16 | C18 | H17 | 97.7° | 55.0° |
| C1 | C16 | O17 | H26 | 43.8° | 60.0° |
| C1 | C6 | C5 | C10 | 178.9° | 180.0° |
| C1 | C6 | C5 | C4 | 1.5° | 0.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.0° |
| C1 | C6 | C15 | H1 | 89.2° | 96.5° |
| C1 | C6 | C15 | H2 | 150.8° | 143.5° |
| C1 | C6 | C15 | H3 | 30.8° | 23.5° |
| C6 | C1 | C2 | H11 | 179.1° | 179.9° |
| C6 | C1 | C16 | H16 | 179.8° | 35.0° |
| C6 | C5 | C10 | O11 | 0.7° | 0.3° |
| C5 | C6 | C1 | C2 | 1.6° | 0.0° |
| C6 | C5 | C10 | C4 | 179.6° | 180.0° |
| C6 | C5 | C10 | N9 | 178.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C6 | C5 | C4 | N7 | 179.1° | 180.0° |
| C5 | C6 | C15 | H1 | 89.0° | 83.6° |
| C5 | C6 | C15 | H2 | 31.0° | 36.4° |
| C5 | C6 | C15 | H3 | 151.0° | 156.4° |
| O11 | C10 | C5 | N9 | 179.5° | 179.7° |
| O11 | C10 | C5 | C4 | 179.7° | 179.7° |
| O11 | C10 | N9 | C13 | 2.5° | 0.3° |
| O11 | C10 | N9 | C8 | 178.8° | 179.8° |
| C1 | C2 | C3 | H11 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| C2 | C1 | C16 | H16 | 1.0° | 145.0° |
| O25 | C23 | C22 | H19 | 113.3° | 120.0° |
| O25 | C23 | C22 | C21 | 158.7° | 60.0° |
| O25 | C23 | C22 | H8 | 38.1° | 180.0° |
| O25 | C23 | C22 | H9 | 80.7° | 60.0° |
| O25 | C23 | C18 | H17 | 92.3° | 180.0° |
| C23 | C22 | C21 | H8 | 120.6° | 120.0° |
| C23 | C22 | C21 | H9 | 120.6° | 120.0° |
| C23 | C22 | C21 | H6 | 137.1° | 180.0° |
| C23 | C22 | C21 | H7 | 104.0° | 60.0° |
| C23 | C22 | H8 | H9 | 118.1° | 120.0° |
| C22 | C23 | C18 | H17 | 137.6° | 60.0° |
| C22 | C23 | O25 | H28 | 45.6° | 60.0° |
| C22 | C21 | C20 | H4 | 56.5° | 180.0° |
| C22 | C21 | C20 | H5 | 177.3° | 60.0° |
| C22 | C21 | H6 | H7 | 118.3° | 120.0° |
| C21 | C22 | H8 | H9 | 118.1° | 120.0° |
| C21 | C22 | C23 | H19 | 88.0° | 180.0° |
| C5 | C10 | N9 | C13 | 177.9° | 180.0° |
| C5 | C10 | N9 | C8 | 1.7° | 0.1° |
| C10 | C5 | C4 | C3 | 179.7° | 180.0° |
| C10 | C5 | C4 | N7 | 0.5° | 0.0° |
| C4 | C5 | C10 | N9 | 0.8° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | N7 | 179.8° | 180.0° |
| C5 | C4 | N7 | C8 | 1.1° | 0.1° |
| C5 | C4 | N7 | C14 | 179.7° | 179.9° |
| C5 | C4 | C3 | H12 | 179.9° | 180.0° |
| C32 | C29 | N30 | C28 | 179.6° | 179.3° |
| C32 | C29 | N30 | C13 | 179.9° | 179.8° |
| C32 | C29 | C28 | C27 | 180.0° | 180.0° |
| C32 | C29 | C28 | H10 | 0.1° | 0.1° |
| C29 | C32 | H23 | H24 | 120.0° | 120.0° |
| C29 | C32 | H23 | H25 | 120.0° | 120.0° |
| C29 | C32 | H24 | H25 | 119.9° | 119.9° |
| C10 | N9 | C13 | N30 | 96.2° | 0.3° |
| C10 | N9 | C13 | C8 | 176.4° | 179.9° |
| C10 | N9 | C13 | N26 | 84.3° | 180.0° |
| C10 | N9 | C8 | N7 | 2.3° | 0.2° |
| C10 | N9 | C8 | O12 | 178.9° | 180.0° |
| C2 | C3 | C4 | H12 | 180.0° | 180.0° |
| C2 | C3 | C4 | N7 | 179.9° | 179.9° |
| C29 | N30 | C13 | N9 | 179.6° | 179.7° |
| C29 | N30 | C13 | N26 | 0.1° | 0.0° |
| N30 | C29 | C28 | C27 | 0.4° | 0.8° |
| N30 | C29 | C28 | H10 | 179.6° | 179.2° |
| N30 | C29 | C32 | H23 | 0.0° | 90.8° |
| N30 | C29 | C32 | H24 | 120.0° | 29.3° |
| N30 | C29 | C32 | H25 | 120.0° | 149.2° |
| C13 | N30 | C29 | C28 | 0.3° | 0.5° |
| N30 | C13 | N9 | N26 | 179.5° | 179.7° |
| N30 | C13 | N9 | C8 | 87.5° | 179.8° |
| N30 | C13 | N26 | C27 | 0.1° | 0.3° |
| C29 | C28 | C27 | H10 | 180.0° | 179.9° |
| C29 | C28 | C27 | N26 | 0.3° | 0.5° |
| C29 | C28 | C27 | C31 | 179.8° | 180.0° |
| C28 | C29 | C32 | H23 | 179.6° | 90.0° |
| C28 | C29 | C32 | H24 | 60.4° | 150.0° |
| C28 | C29 | C32 | H25 | 59.6° | 30.0° |
| N9 | C13 | N26 | C27 | 179.6° | 180.0° |
| C13 | N9 | C8 | N7 | 178.5° | 179.9° |
| C13 | N9 | C8 | O12 | 2.7° | 0.1° |
| N9 | C8 | N7 | C4 | 1.9° | 0.2° |
| C8 | N9 | C13 | N26 | 92.0° | 0.1° |
| N9 | C8 | N7 | O12 | 178.8° | 179.8° |
| N9 | C8 | N7 | C14 | 179.5° | 180.0° |
| C3 | C4 | N7 | C8 | 179.1° | 179.9° |
| C3 | C4 | N7 | C14 | 0.5° | 0.1° |
| C4 | C3 | C2 | H11 | 180.0° | 180.0° |
| C4 | N7 | C8 | C14 | 178.6° | 179.8° |
| C4 | N7 | C8 | O12 | 179.2° | 180.0° |
| N7 | C4 | C3 | H12 | 0.1° | 0.0° |
| C4 | N7 | C14 | H13 | 180.0° | 90.1° |
| C4 | N7 | C14 | H14 | 60.0° | 150.0° |
| C4 | N7 | C14 | H15 | 60.0° | 30.0° |
| C13 | N26 | C27 | C28 | 0.1° | 0.0° |
| C13 | N26 | C27 | C31 | 179.9° | 179.4° |
| C28 | C27 | N26 | C31 | 179.9° | 179.4° |
| C28 | C27 | C31 | H20 | 179.9° | 90.0° |
| C28 | C27 | C31 | H21 | 59.9° | 150.0° |
| C28 | C27 | C31 | H22 | 60.1° | 30.0° |
| N26 | C27 | C28 | H10 | 179.7° | 179.4° |
| N26 | C27 | C31 | H20 | 0.0° | 89.4° |
| N26 | C27 | C31 | H21 | 120.0° | 30.5° |
| N26 | C27 | C31 | H22 | 120.0° | 150.5° |
| C31 | C27 | C28 | H10 | 0.2° | 0.0° |
| C27 | C31 | H20 | H21 | 120.0° | 120.0° |
| C27 | C31 | H20 | H22 | 120.0° | 120.0° |
| C27 | C31 | H21 | H22 | 120.0° | 120.0° |
| C8 | N7 | C14 | H13 | 1.4° | 90.2° |
| C8 | N7 | C14 | H14 | 118.6° | 29.8° |
| C8 | N7 | C14 | H15 | 121.4° | 149.8° |
| C14 | N7 | C8 | O12 | 0.7° | 0.2° |
| N7 | C14 | H13 | H14 | 120.0° | 120.0° |
| N7 | C14 | H13 | H15 | 120.0° | 120.1° |
| N7 | C14 | H14 | H15 | 120.0° | 120.1° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C20 | C21 | H6 | 64.1° | 60.0° |
| H4 | C20 | C21 | H7 | 177.0° | 59.9° |
| H4 | C20 | C19 | H18 | 168.4° | 59.9° |
| H5 | C20 | C21 | H6 | 56.7° | 60.0° |
| H5 | C20 | C21 | H7 | 62.2° | 180.0° |
| H5 | C20 | C19 | H18 | 70.7° | 180.0° |
| H6 | C21 | C22 | H8 | 102.3° | 60.0° |
| H6 | C21 | C22 | H9 | 16.5° | 60.0° |
| H7 | C21 | C22 | H8 | 16.6° | 180.0° |
| H7 | C21 | C22 | H9 | 135.4° | 60.0° |
| H8 | C22 | C23 | H19 | 151.4° | 60.0° |
| H9 | C22 | C23 | H19 | 32.6° | 60.0° |
| H11 | C2 | C3 | H12 | 0.0° | 0.0° |
| H13 | C14 | H14 | H15 | 119.9° | 120.0° |
| H16 | C16 | C18 | H17 | 146.4° | 65.0° |
| H16 | C16 | O17 | H26 | 67.2° | 180.0° |
| H17 | C18 | C19 | H18 | 152.2° | 180.0° |
| H17 | C18 | C23 | H19 | 22.4° | 60.0° |
| H18 | C19 | O24 | H27 | 62.6° | 59.9° |
| H19 | C23 | O25 | H28 | 66.5° | 60.0° |
| H20 | C31 | H21 | H22 | 120.0° | 120.0° |
| H23 | C32 | H24 | H25 | 120.0° | 120.0° |
