P40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.45Å | |
| C1 | N31 | sing | 1.46Å | 1.42Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C2 | N3 | sing | 1.47Å | 1.42Å | |
| C2 | H52 | sing | 1.09Å | 1.10Å | |
| C2 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.46Å | |
| C7 | O6 | sing | 1.43Å | 1.35Å | |
| C7 | H17A | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | N3 | sing | 1.47Å | 1.42Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.46Å | Aromatic |
| C9 | C25 | sing | 1.40Å | 1.47Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.40Å | 1.46Å | Aromatic |
| C10 | C13 | sing | 1.48Å | 1.45Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.46Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C26 | sing | 1.40Å | 1.47Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.39Å | 1.45Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.46Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.40Å | 1.45Å | Aromatic |
| C15 | C19 | sing | 1.48Å | 1.52Å | |
| C16 | C17 | sing | 1.38Å | 1.45Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | O24 | doub | 1.22Å | 1.22Å | |
| C19 | N32 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | sing | 1.53Å | 1.45Å | |
| C20 | C22 | sing | 1.53Å | 1.46Å | |
| C20 | N32 | sing | 1.47Å | 1.42Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.45Å | |
| C21 | H221 | sing | 1.09Å | 1.10Å | |
| C21 | H321 | sing | 1.09Å | 1.10Å | |
| C22 | H422 | sing | 1.09Å | 1.10Å | |
| C22 | H522 | sing | 1.09Å | 1.10Å | |
| N29 | C30 | doub | 1.32Å | 1.42Å | Aromatic |
| N29 | C28 | sing | 1.33Å | 1.42Å | Aromatic |
| C30 | C25 | sing | 1.41Å | 1.46Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.47Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.46Å | |
| C4 | H74 | sing | 1.09Å | 1.10Å | |
| C4 | H84 | sing | 1.09Å | 1.10Å | |
| C5 | O6 | sing | 1.43Å | 1.35Å | |
| C5 | H95 | sing | 1.09Å | 1.10Å | |
| C5 | H05 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C23 | sing | 1.51Å | 1.45Å | |
| C23 | H623 | sing | 1.09Å | 1.10Å | |
| C23 | H723 | sing | 1.09Å | 1.10Å | |
| C23 | H823 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.42Å | 1.47Å | Aromatic |
| C26 | N27 | sing | 1.34Å | 1.42Å | Aromatic |
| N27 | C28 | doub | 1.32Å | 1.42Å | Aromatic |
| C28 | N31 | sing | 1.38Å | 1.42Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N31 | 115.4° | 109.5° |
| C2 | C1 | H31 | 107.5° | 109.5° |
| C2 | C1 | H41 | 106.2° | 109.5° |
| C1 | C2 | N3 | 112.3° | 109.4° |
| C1 | C2 | H52 | 108.5° | 109.5° |
| C1 | C2 | H62 | 107.9° | 109.4° |
| N31 | C1 | H31 | 107.5° | 109.4° |
| N31 | C1 | H41 | 106.2° | 109.5° |
| C1 | N31 | C28 | 119.7° | 120.0° |
| C1 | N31 | HN31 | 106.2° | 120.0° |
| H31 | C1 | H41 | 114.3° | 109.5° |
| N3 | C2 | H52 | 108.5° | 109.5° |
| N3 | C2 | H62 | 107.9° | 109.4° |
| C2 | N3 | C8 | 117.7° | 111.0° |
| C2 | N3 | C4 | 115.1° | 111.0° |
| H52 | C2 | H62 | 111.7° | 109.5° |
| C8 | C7 | O6 | 109.5° | 109.2° |
| C8 | C7 | H17A | 109.5° | 109.5° |
| C8 | C7 | H27 | 109.5° | 109.5° |
| C7 | C8 | N3 | 109.5° | 109.3° |
| C7 | C8 | H38 | 109.5° | 109.5° |
| C7 | C8 | H48 | 109.5° | 109.5° |
| O6 | C7 | H17A | 109.5° | 109.5° |
| O6 | C7 | H27 | 109.4° | 109.6° |
| C7 | O6 | C5 | 123.4° | 113.8° |
| H17A | C7 | H27 | 109.5° | 109.6° |
| N3 | C8 | H38 | 109.5° | 109.5° |
| N3 | C8 | H48 | 109.5° | 109.5° |
| C8 | N3 | C4 | 123.9° | 110.8° |
| H38 | C8 | H48 | 109.5° | 109.6° |
| C10 | C9 | C25 | 124.2° | 119.3° |
| C10 | C9 | H9 | 117.9° | 120.3° |
| C9 | C10 | C11 | 115.4° | 120.6° |
| C9 | C10 | C13 | 128.9° | 119.7° |
| C25 | C9 | H9 | 117.9° | 120.3° |
| C9 | C25 | C30 | 125.3° | 121.9° |
| C9 | C25 | C26 | 120.4° | 119.7° |
| C11 | C10 | C13 | 115.7° | 119.7° |
| C10 | C11 | C12 | 120.6° | 120.9° |
| C10 | C11 | H11 | 119.7° | 119.5° |
| C10 | C13 | C14 | 118.9° | 120.1° |
| C10 | C13 | C18 | 125.2° | 120.0° |
| C12 | C11 | H11 | 119.7° | 119.5° |
| C11 | C12 | C26 | 124.4° | 119.9° |
| C11 | C12 | H12 | 117.8° | 120.1° |
| C26 | C12 | H12 | 117.8° | 120.0° |
| C12 | C26 | C25 | 115.0° | 119.6° |
| C12 | C26 | N27 | 123.2° | 121.7° |
| C14 | C13 | C18 | 115.5° | 119.9° |
| C13 | C14 | C15 | 124.2° | 119.7° |
| C13 | C14 | H14 | 117.9° | 120.1° |
| C13 | C18 | C17 | 120.9° | 120.2° |
| C13 | C18 | C23 | 125.1° | 119.9° |
| C15 | C14 | H14 | 117.9° | 120.1° |
| C14 | C15 | C16 | 119.4° | 119.8° |
| C14 | C15 | C19 | 121.8° | 120.1° |
| C16 | C15 | C19 | 118.7° | 120.1° |
| C15 | C16 | C17 | 116.9° | 120.1° |
| C15 | C16 | H16 | 121.5° | 119.9° |
| C15 | C19 | O24 | 120.0° | 120.0° |
| C15 | C19 | N32 | 120.4° | 120.0° |
| C17 | C16 | H16 | 121.5° | 119.9° |
| C16 | C17 | C18 | 123.0° | 120.3° |
| C16 | C17 | H17 | 118.5° | 119.9° |
| O24 | C19 | N32 | 119.6° | 120.0° |
| C19 | N32 | C20 | 119.0° | 120.0° |
| C19 | N32 | HN32 | 120.5° | 120.0° |
| C21 | C20 | C22 | 59.8° | 60.0° |
| C21 | C20 | N32 | 118.0° | 117.5° |
| C21 | C20 | H20 | 135.9° | 117.5° |
| C20 | C21 | C22 | 60.3° | 60.0° |
| C20 | C21 | H221 | 130.7° | 117.5° |
| C20 | C21 | H321 | 135.8° | 117.4° |
| C22 | C20 | N32 | 119.7° | 117.5° |
| C22 | C20 | H20 | 134.4° | 117.5° |
| C20 | C22 | C21 | 59.9° | 60.0° |
| C20 | C22 | H422 | 130.9° | 117.5° |
| C20 | C22 | H522 | 136.0° | 117.5° |
| N32 | C20 | H20 | 91.4° | 115.5° |
| C20 | N32 | HN32 | 120.5° | 120.0° |
| C22 | C21 | H221 | 130.7° | 117.5° |
| C22 | C21 | H321 | 135.8° | 117.5° |
| C21 | C22 | H422 | 130.9° | 117.5° |
| C21 | C22 | H522 | 136.0° | 117.4° |
| H221 | C21 | H321 | 75.0° | 115.6° |
| H422 | C22 | H522 | 74.7° | 115.6° |
| C30 | N29 | C28 | 121.4° | 121.5° |
| N29 | C30 | C25 | 122.8° | 118.5° |
| N29 | C30 | H30 | 118.6° | 120.7° |
| N29 | C28 | N27 | 117.8° | 122.7° |
| N29 | C28 | N31 | 124.4° | 118.7° |
| C25 | C30 | H30 | 118.6° | 120.7° |
| C30 | C25 | C26 | 114.2° | 118.4° |
| N3 | C4 | C5 | 110.6° | 109.2° |
| N3 | C4 | H74 | 109.1° | 109.5° |
| N3 | C4 | H84 | 108.8° | 109.5° |
| C5 | C4 | H74 | 109.1° | 109.5° |
| C5 | C4 | H84 | 108.8° | 109.5° |
| C4 | C5 | O6 | 110.4° | 109.3° |
| C4 | C5 | H95 | 109.1° | 109.5° |
| C4 | C5 | H05 | 109.0° | 109.5° |
| H74 | C4 | H84 | 110.4° | 109.6° |
| O6 | C5 | H95 | 109.2° | 109.5° |
| O6 | C5 | H05 | 109.0° | 109.5° |
| H95 | C5 | H05 | 110.2° | 109.6° |
| C18 | C17 | H17 | 118.5° | 119.9° |
| C17 | C18 | C23 | 114.0° | 119.9° |
| C18 | C23 | H623 | 109.5° | 109.4° |
| C18 | C23 | H723 | 109.4° | 109.5° |
| C18 | C23 | H823 | 109.5° | 109.5° |
| H623 | C23 | H723 | 109.5° | 109.5° |
| H623 | C23 | H823 | 109.5° | 109.5° |
| H723 | C23 | H823 | 109.5° | 109.5° |
| C25 | C26 | N27 | 121.8° | 118.6° |
| C26 | N27 | C28 | 122.1° | 120.3° |
| N27 | C28 | N31 | 117.7° | 118.7° |
| C28 | N31 | HN31 | 106.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N31 | H31 | 120.0° | 120.0° |
| C2 | C1 | N31 | H41 | 117.3° | 120.0° |
| C2 | C1 | H31 | H41 | 117.6° | 120.0° |
| C1 | C2 | N3 | H52 | 120.0° | 120.0° |
| C1 | C2 | N3 | H62 | 118.8° | 119.9° |
| C1 | C2 | H52 | H62 | 118.9° | 120.0° |
| C1 | C2 | N3 | C8 | 86.7° | 170.0° |
| C1 | C2 | N3 | C4 | 113.1° | 66.4° |
| C2 | C1 | N31 | C28 | 168.9° | 180.0° |
| C2 | C1 | N31 | HN31 | 71.1° | 0.1° |
| N31 | C1 | H31 | H41 | 117.5° | 120.0° |
| N31 | C1 | C2 | N3 | 95.1° | 180.0° |
| N31 | C1 | C2 | H52 | 144.9° | 60.0° |
| N31 | C1 | C2 | H62 | 23.7° | 60.1° |
| C1 | N31 | C28 | N29 | 104.4° | 0.0° |
| C1 | N31 | C28 | N27 | 79.0° | 179.9° |
| C1 | N31 | C28 | HN31 | 120.0° | 179.9° |
| H31 | C1 | C2 | N3 | 144.9° | 60.0° |
| H31 | C1 | C2 | H52 | 25.0° | 60.0° |
| H31 | C1 | C2 | H62 | 96.3° | 179.9° |
| H31 | C1 | N31 | C28 | 48.9° | 60.0° |
| H31 | C1 | N31 | HN31 | 168.9° | 120.1° |
| H41 | C1 | C2 | N3 | 22.2° | 60.0° |
| H41 | C1 | C2 | H52 | 97.7° | 180.0° |
| H41 | C1 | C2 | H62 | 141.0° | 59.9° |
| H41 | C1 | N31 | C28 | 73.8° | 60.0° |
| H41 | C1 | N31 | HN31 | 46.2° | 119.9° |
| N3 | C2 | H52 | H62 | 118.8° | 120.0° |
| C2 | N3 | C8 | C7 | 162.4° | 177.6° |
| C2 | N3 | C8 | C4 | 158.3° | 123.7° |
| C2 | N3 | C8 | H38 | 42.3° | 57.7° |
| C2 | N3 | C8 | H48 | 77.7° | 62.5° |
| C2 | N3 | C4 | C5 | 164.5° | 177.7° |
| C2 | N3 | C4 | H74 | 44.5° | 57.7° |
| C2 | N3 | C4 | H84 | 76.0° | 62.5° |
| H52 | C2 | N3 | C8 | 153.3° | 70.0° |
| H52 | C2 | N3 | C4 | 6.9° | 53.6° |
| H62 | C2 | N3 | C8 | 32.1° | 50.1° |
| H62 | C2 | N3 | C4 | 128.1° | 173.7° |
| C8 | C7 | O6 | H17A | 120.0° | 119.9° |
| C8 | C7 | O6 | H27 | 120.0° | 119.9° |
| C8 | C7 | H17A | H27 | 120.0° | 120.1° |
| C7 | C8 | N3 | H38 | 120.0° | 119.9° |
| C7 | C8 | N3 | H48 | 120.0° | 119.9° |
| C7 | C8 | H38 | H48 | 120.0° | 120.1° |
| C7 | C8 | N3 | C4 | 39.3° | 58.6° |
| C8 | C7 | O6 | C5 | 56.5° | 58.7° |
| O6 | C7 | H17A | H27 | 120.0° | 120.2° |
| O6 | C7 | C8 | N3 | 42.3° | 56.9° |
| O6 | C7 | C8 | H38 | 162.3° | 176.8° |
| O6 | C7 | C8 | H48 | 77.7° | 63.1° |
| C7 | O6 | C5 | C4 | 53.6° | 58.7° |
| C7 | O6 | C5 | H95 | 66.4° | 61.2° |
| C7 | O6 | C5 | H05 | 173.2° | 178.6° |
| H17A | C7 | C8 | N3 | 162.3° | 176.8° |
| H17A | C7 | C8 | H38 | 77.7° | 63.3° |
| H17A | C7 | C8 | H48 | 42.3° | 56.9° |
| H17A | C7 | O6 | C5 | 176.5° | 178.6° |
| H27 | C7 | C8 | N3 | 77.7° | 63.1° |
| H27 | C7 | C8 | H38 | 42.3° | 56.9° |
| H27 | C7 | C8 | H48 | 162.4° | 177.0° |
| H27 | C7 | O6 | C5 | 63.5° | 61.2° |
| N3 | C8 | H38 | H48 | 120.0° | 120.1° |
| C8 | N3 | C4 | C5 | 36.7° | 58.6° |
| C8 | N3 | C4 | H74 | 156.7° | 178.6° |
| C8 | N3 | C4 | H84 | 82.8° | 61.2° |
| H38 | C8 | N3 | C4 | 159.4° | 178.6° |
| H48 | C8 | N3 | C4 | 80.6° | 61.3° |
| C10 | C9 | C25 | H9 | 180.0° | 179.7° |
| C9 | C10 | C11 | C13 | 176.9° | 180.0° |
| C9 | C10 | C11 | C12 | 1.0° | 0.0° |
| C9 | C10 | C11 | H11 | 179.0° | 180.0° |
| C9 | C10 | C13 | C14 | 98.0° | 50.0° |
| C9 | C10 | C13 | C18 | 89.6° | 129.7° |
| C10 | C9 | C25 | C30 | 177.8° | 180.0° |
| C10 | C9 | C25 | C26 | 0.3° | 0.0° |
| C25 | C9 | C10 | C11 | 0.4° | 0.0° |
| C25 | C9 | C10 | C13 | 176.0° | 180.0° |
| C9 | C25 | C26 | C12 | 0.5° | 0.0° |
| C9 | C25 | C30 | N29 | 177.3° | 179.9° |
| C9 | C25 | C30 | C26 | 177.6° | 180.0° |
| C9 | C25 | C30 | H30 | 2.7° | 0.1° |
| C9 | C25 | C26 | N27 | 177.5° | 180.0° |
| H9 | C9 | C10 | C11 | 179.5° | 179.7° |
| H9 | C9 | C10 | C13 | 4.0° | 0.3° |
| H9 | C9 | C25 | C30 | 2.2° | 0.3° |
| H9 | C9 | C25 | C26 | 179.7° | 179.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C26 | 0.8° | 0.0° |
| C10 | C11 | C12 | H12 | 179.2° | 179.9° |
| C11 | C10 | C13 | C14 | 78.4° | 130.0° |
| C11 | C10 | C13 | C18 | 94.0° | 50.3° |
| C13 | C10 | C11 | C12 | 176.0° | 179.9° |
| C13 | C10 | C11 | H11 | 4.0° | 0.0° |
| C10 | C13 | C14 | C18 | 173.1° | 179.7° |
| C10 | C13 | C14 | C15 | 173.3° | 180.0° |
| C10 | C13 | C14 | H14 | 6.7° | 0.0° |
| C10 | C13 | C18 | C17 | 172.5° | 179.8° |
| C10 | C13 | C18 | C23 | 5.6° | 0.0° |
| C11 | C12 | C26 | H12 | 180.0° | 179.9° |
| C11 | C12 | C26 | C25 | 0.0° | 0.0° |
| C11 | C12 | C26 | N27 | 178.1° | 180.0° |
| H11 | C11 | C12 | C26 | 179.2° | 180.0° |
| H11 | C11 | C12 | H12 | 0.8° | 0.0° |
| C12 | C26 | C25 | C30 | 178.3° | 180.0° |
| C12 | C26 | C25 | N27 | 178.1° | 180.0° |
| C12 | C26 | N27 | C28 | 177.7° | 180.0° |
| H12 | C12 | C26 | C25 | 180.0° | 179.9° |
| H12 | C12 | C26 | N27 | 1.9° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | C15 | C19 | 176.4° | 180.0° |
| C14 | C13 | C18 | C17 | 0.1° | 0.5° |
| C14 | C13 | C18 | C23 | 178.3° | 179.7° |
| C18 | C13 | C14 | C15 | 0.2° | 0.3° |
| C18 | C13 | C14 | H14 | 179.8° | 179.7° |
| C13 | C18 | C17 | C16 | 0.3° | 0.6° |
| C13 | C18 | C17 | C23 | 178.3° | 179.7° |
| C13 | C18 | C17 | H17 | 179.7° | 179.7° |
| C13 | C18 | C23 | H623 | 75.6° | 90.0° |
| C13 | C18 | C23 | H723 | 44.3° | 150.0° |
| C13 | C18 | C23 | H823 | 164.4° | 30.0° |
| C14 | C15 | C16 | C19 | 176.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.1° |
| C14 | C15 | C16 | H16 | 179.7° | 180.0° |
| C14 | C15 | C19 | O24 | 10.8° | 0.0° |
| C14 | C15 | C19 | N32 | 169.4° | 180.0° |
| H14 | C14 | C15 | C16 | 179.6° | 180.0° |
| H14 | C14 | C15 | C19 | 3.6° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C16 | C15 | C19 | O24 | 166.1° | 180.0° |
| C16 | C15 | C19 | N32 | 13.8° | 0.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.4° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C19 | C15 | C16 | C17 | 176.6° | 180.0° |
| C19 | C15 | C16 | H16 | 3.4° | 0.1° |
| C15 | C19 | O24 | N32 | 179.9° | 180.0° |
| C15 | C19 | N32 | C20 | 177.2° | 180.0° |
| C15 | C19 | N32 | HN32 | 2.8° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C16 | C17 | C18 | C23 | 178.6° | 179.7° |
| H16 | C16 | C17 | C18 | 180.0° | 179.7° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| O24 | C19 | N32 | C20 | 2.7° | 0.0° |
| O24 | C19 | N32 | HN32 | 177.3° | 180.0° |
| C19 | N32 | C20 | C21 | 62.4° | 155.0° |
| C19 | N32 | C20 | C22 | 131.8° | 136.4° |
| C19 | N32 | C20 | HN32 | 180.0° | 180.0° |
| C19 | N32 | C20 | H20 | 83.2° | 9.2° |
| C21 | C20 | C22 | N32 | 107.1° | 107.6° |
| C21 | C20 | C22 | H20 | 126.3° | 107.5° |
| C21 | C20 | N32 | H20 | 145.7° | 145.7° |
| C20 | C21 | C22 | H221 | 120.0° | 107.5° |
| C20 | C21 | C22 | H321 | 126.7° | 107.4° |
| C20 | C21 | H221 | H321 | 138.5° | 145.7° |
| C21 | C20 | C22 | H422 | 120.0° | 107.5° |
| C21 | C20 | C22 | H522 | 126.7° | 107.4° |
| C21 | C20 | N32 | HN32 | 117.6° | 25.0° |
| C22 | C20 | N32 | H20 | 145.0° | 145.6° |
| C20 | C22 | H422 | H522 | 138.7° | 145.8° |
| C22 | C20 | N32 | HN32 | 48.2° | 43.7° |
| N32 | C20 | C21 | H221 | 130.1° | 145.0° |
| N32 | C20 | C21 | H321 | 16.8° | 0.0° |
| N32 | C20 | C22 | H422 | 12.9° | 0.1° |
| N32 | C20 | C22 | H522 | 126.3° | 145.1° |
| H20 | C20 | C21 | H221 | 4.1° | 0.0° |
| H20 | C20 | C21 | H321 | 109.1° | 145.1° |
| H20 | C20 | C22 | H422 | 113.7° | 145.0° |
| H20 | C20 | C22 | H522 | 0.4° | 0.1° |
| H20 | C20 | N32 | HN32 | 96.7° | 170.7° |
| C22 | C21 | H221 | H321 | 138.5° | 145.7° |
| C21 | C22 | H422 | H522 | 138.6° | 145.6° |
| H221 | C21 | C22 | H422 | 120.0° | 145.0° |
| H221 | C21 | C22 | H522 | 6.7° | 0.1° |
| H321 | C21 | C22 | H422 | 6.7° | 0.1° |
| H321 | C21 | C22 | H522 | 106.6° | 145.0° |
| N29 | C30 | C25 | H30 | 180.0° | 179.9° |
| N29 | C30 | C25 | C26 | 0.4° | 0.1° |
| C30 | N29 | C28 | N27 | 0.5° | 0.1° |
| C30 | N29 | C28 | N31 | 176.1° | 180.0° |
| C28 | N29 | C30 | C25 | 0.0° | 0.1° |
| C28 | N29 | C30 | H30 | 180.0° | 180.0° |
| N29 | C28 | N27 | C26 | 0.7° | 0.0° |
| N29 | C28 | N27 | N31 | 176.8° | 179.9° |
| N29 | C28 | N31 | HN31 | 135.6° | 179.9° |
| C30 | C25 | C26 | N27 | 0.2° | 0.0° |
| H30 | C30 | C25 | C26 | 179.6° | 180.0° |
| N3 | C4 | C5 | H74 | 120.0° | 120.0° |
| N3 | C4 | C5 | H84 | 119.5° | 119.9° |
| N3 | C4 | H74 | H84 | 119.5° | 120.1° |
| N3 | C4 | C5 | O6 | 37.1° | 56.8° |
| N3 | C4 | C5 | H95 | 82.9° | 63.1° |
| N3 | C4 | C5 | H05 | 156.8° | 176.8° |
| C5 | C4 | H74 | H84 | 119.5° | 120.1° |
| C4 | C5 | O6 | H95 | 120.0° | 119.9° |
| C4 | C5 | O6 | H05 | 119.6° | 119.9° |
| C4 | C5 | H95 | H05 | 119.6° | 120.1° |
| H74 | C4 | C5 | O6 | 157.1° | 176.8° |
| H74 | C4 | C5 | H95 | 37.1° | 56.9° |
| H74 | C4 | C5 | H05 | 83.2° | 63.3° |
| H84 | C4 | C5 | O6 | 82.4° | 63.0° |
| H84 | C4 | C5 | H95 | 157.6° | 177.0° |
| H84 | C4 | C5 | H05 | 37.3° | 56.9° |
| O6 | C5 | H95 | H05 | 119.6° | 120.1° |
| C17 | C18 | C23 | H623 | 106.1° | 89.7° |
| C17 | C18 | C23 | H723 | 133.9° | 30.3° |
| C17 | C18 | C23 | H823 | 13.9° | 150.3° |
| H17 | C17 | C18 | C23 | 1.4° | 0.0° |
| C18 | C23 | H623 | H723 | 120.0° | 120.0° |
| C18 | C23 | H623 | H823 | 120.0° | 120.0° |
| C18 | C23 | H723 | H823 | 120.0° | 120.0° |
| H623 | C23 | H723 | H823 | 120.0° | 120.0° |
| C25 | C26 | N27 | C28 | 0.3° | 0.0° |
| C26 | N27 | C28 | N31 | 176.2° | 180.0° |
| N27 | C28 | N31 | HN31 | 41.0° | 0.0° |
