PTI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C6 | sing | 1.53Å | 1.56Å | |
| C3 | N1 | sing | 1.47Å | 1.51Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C6 | C9 | sing | 1.53Å | 1.56Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C9 | C12 | sing | 1.53Å | 1.57Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| N1 | C15 | sing | 1.47Å | 1.51Å | |
| N1 | C18 | sing | 1.47Å | 1.49Å | |
| C12 | C15 | sing | 1.53Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | C21 | sing | 1.53Å | 1.56Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C21 | O24 | sing | 1.43Å | 1.44Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O24 | C25 | sing | 1.36Å | 1.42Å | |
| C25 | C26 | doub | 1.39Å | 1.44Å | Aromatic |
| C25 | C33 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.06Å | |
| C28 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.06Å | |
| C30 | C31 | sing | 1.38Å | 1.44Å | Aromatic |
| C30 | C35 | sing | 1.51Å | 1.57Å | |
| C31 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.06Å | |
| C33 | H33 | sing | 1.08Å | 1.06Å | |
| C35 | N37 | sing | 1.46Å | 1.52Å | |
| C35 | C45 | sing | 1.51Å | 1.55Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| N37 | C38 | sing | 1.47Å | 1.49Å | |
| N37 | C55 | sing | 1.40Å | 1.38Å | |
| C38 | C41 | sing | 1.53Å | 1.56Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C41 | C44 | sing | 1.51Å | 1.55Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | doub | 1.38Å | 1.43Å | Aromatic |
| C44 | C51 | sing | 1.38Å | 1.43Å | Aromatic |
| C45 | C46 | sing | 1.39Å | 1.44Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.42Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.06Å | |
| C48 | C50 | sing | 1.39Å | 1.41Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.06Å | |
| C50 | C51 | doub | 1.39Å | 1.43Å | Aromatic |
| C50 | O53 | sing | 1.36Å | 1.40Å | |
| C51 | H51 | sing | 1.08Å | 1.06Å | |
| O53 | H53 | sing | 0.97Å | 0.96Å | |
| C55 | C56 | doub | 1.39Å | 1.43Å | Aromatic |
| C55 | C64 | sing | 1.39Å | 1.44Å | Aromatic |
| C56 | C58 | sing | 1.38Å | 1.42Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.06Å | |
| C58 | C60 | doub | 1.38Å | 1.42Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.06Å | |
| C60 | C62 | sing | 1.38Å | 1.42Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.06Å | |
| C62 | C64 | doub | 1.38Å | 1.42Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.06Å | |
| C64 | H64 | sing | 1.08Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C3 | N1 | 112.6° | 109.8° |
| C6 | C3 | H3C1 | 108.7° | 109.4° |
| C6 | C3 | H3C2 | 107.6° | 109.4° |
| C3 | C6 | C9 | 109.8° | 109.2° |
| C3 | C6 | H6C1 | 109.4° | 109.5° |
| C3 | C6 | H6C2 | 109.3° | 109.5° |
| N1 | C3 | H3C1 | 108.6° | 109.5° |
| N1 | C3 | H3C2 | 107.6° | 109.5° |
| C3 | N1 | C15 | 113.7° | 107.3° |
| C3 | N1 | C18 | 111.9° | 106.7° |
| H3C1 | C3 | H3C2 | 111.7° | 109.3° |
| C9 | C6 | H6C1 | 109.4° | 109.6° |
| C9 | C6 | H6C2 | 109.3° | 109.5° |
| C6 | C9 | C12 | 109.5° | 108.9° |
| C6 | C9 | H9C1 | 109.5° | 109.5° |
| C6 | C9 | H9C2 | 109.4° | 109.6° |
| H6C1 | C6 | H6C2 | 109.7° | 109.6° |
| C12 | C9 | H9C1 | 109.5° | 109.5° |
| C12 | C9 | H9C2 | 109.5° | 109.6° |
| C9 | C12 | C15 | 110.0° | 109.2° |
| C9 | C12 | H121 | 109.3° | 109.5° |
| C9 | C12 | H122 | 109.2° | 109.5° |
| H9C1 | C9 | H9C2 | 109.5° | 109.6° |
| C15 | N1 | C18 | 112.2° | 106.7° |
| N1 | C15 | C12 | 112.1° | 109.8° |
| N1 | C15 | H151 | 108.8° | 109.4° |
| N1 | C15 | H152 | 108.0° | 109.4° |
| N1 | C18 | C21 | 116.2° | 109.5° |
| N1 | C18 | H181 | 107.7° | 109.5° |
| N1 | C18 | H182 | 105.5° | 109.5° |
| C15 | C12 | H121 | 109.3° | 109.5° |
| C15 | C12 | H122 | 109.2° | 109.5° |
| C12 | C15 | H151 | 108.8° | 109.5° |
| C12 | C15 | H152 | 107.9° | 109.4° |
| H121 | C12 | H122 | 109.8° | 109.6° |
| H151 | C15 | H152 | 111.3° | 109.3° |
| C21 | C18 | H181 | 107.8° | 109.4° |
| C21 | C18 | H182 | 105.5° | 109.4° |
| C18 | C21 | O24 | 108.8° | 109.5° |
| C18 | C21 | H211 | 109.6° | 109.4° |
| C18 | C21 | H212 | 109.8° | 109.5° |
| H181 | C18 | H182 | 114.3° | 109.5° |
| O24 | C21 | H211 | 109.6° | 109.4° |
| O24 | C21 | H212 | 109.8° | 109.5° |
| C21 | O24 | C25 | 125.0° | 106.8° |
| H211 | C21 | H212 | 109.1° | 109.5° |
| O24 | C25 | C26 | 124.2° | 120.0° |
| O24 | C25 | C33 | 117.3° | 120.1° |
| C26 | C25 | C33 | 118.5° | 119.9° |
| C25 | C26 | C28 | 120.4° | 119.9° |
| C25 | C26 | H26 | 119.8° | 120.0° |
| C25 | C33 | C31 | 121.4° | 120.0° |
| C25 | C33 | H33 | 119.3° | 120.0° |
| C28 | C26 | H26 | 119.8° | 120.0° |
| C26 | C28 | C30 | 120.7° | 120.1° |
| C26 | C28 | H28 | 119.6° | 119.9° |
| C30 | C28 | H28 | 119.7° | 120.0° |
| C28 | C30 | C31 | 118.5° | 120.1° |
| C28 | C30 | C35 | 121.7° | 119.9° |
| C31 | C30 | C35 | 119.8° | 120.0° |
| C30 | C31 | C33 | 120.6° | 120.1° |
| C30 | C31 | H31 | 119.7° | 120.0° |
| C30 | C35 | N37 | 111.9° | 109.2° |
| C30 | C35 | C45 | 105.7° | 109.2° |
| C30 | C35 | H35 | 112.4° | 109.2° |
| C33 | C31 | H31 | 119.7° | 120.0° |
| C31 | C33 | H33 | 119.3° | 120.0° |
| N37 | C35 | C45 | 115.0° | 110.7° |
| N37 | C35 | H35 | 102.7° | 109.2° |
| C35 | N37 | C38 | 120.4° | 106.7° |
| C35 | N37 | C55 | 121.0° | 106.7° |
| C45 | C35 | H35 | 109.2° | 109.2° |
| C35 | C45 | C44 | 121.6° | 121.5° |
| C35 | C45 | C46 | 119.3° | 118.7° |
| C38 | N37 | C55 | 117.9° | 106.7° |
| N37 | C38 | C41 | 113.9° | 108.7° |
| N37 | C38 | H381 | 108.3° | 109.6° |
| N37 | C38 | H382 | 106.9° | 109.5° |
| N37 | C55 | C56 | 118.8° | 120.1° |
| N37 | C55 | C64 | 122.4° | 120.1° |
| C41 | C38 | H381 | 108.4° | 109.6° |
| C41 | C38 | H382 | 106.9° | 109.6° |
| C38 | C41 | C44 | 113.4° | 109.4° |
| C38 | C41 | H411 | 108.5° | 109.5° |
| C38 | C41 | H412 | 107.2° | 109.5° |
| H381 | C38 | H382 | 112.6° | 109.7° |
| C44 | C41 | H411 | 108.5° | 109.5° |
| C44 | C41 | H412 | 107.2° | 109.5° |
| C41 | C44 | C45 | 121.6° | 121.0° |
| C41 | C44 | C51 | 119.1° | 118.9° |
| H411 | C41 | H412 | 112.2° | 109.5° |
| C45 | C44 | C51 | 119.3° | 120.1° |
| C44 | C45 | C46 | 119.1° | 119.8° |
| C44 | C51 | C50 | 121.2° | 120.2° |
| C44 | C51 | H51 | 119.4° | 120.0° |
| C45 | C46 | C48 | 120.8° | 120.3° |
| C45 | C46 | H46 | 119.6° | 119.9° |
| C48 | C46 | H46 | 119.6° | 119.8° |
| C46 | C48 | C50 | 120.1° | 119.9° |
| C46 | C48 | H48 | 120.0° | 120.0° |
| C50 | C48 | H48 | 120.0° | 120.0° |
| C48 | C50 | C51 | 119.5° | 119.7° |
| C48 | C50 | O53 | 121.3° | 120.2° |
| C51 | C50 | O53 | 119.2° | 120.2° |
| C50 | C51 | H51 | 119.4° | 119.9° |
| C50 | O53 | H53 | 120.0° | 106.9° |
| C56 | C55 | C64 | 118.7° | 119.8° |
| C55 | C56 | C58 | 120.8° | 120.0° |
| C55 | C56 | H56 | 119.6° | 120.0° |
| C55 | C64 | C62 | 120.4° | 120.0° |
| C55 | C64 | H64 | 119.8° | 120.1° |
| C58 | C56 | H56 | 119.6° | 120.0° |
| C56 | C58 | C60 | 120.1° | 120.1° |
| C56 | C58 | H58 | 120.0° | 120.0° |
| C60 | C58 | H58 | 119.9° | 119.9° |
| C58 | C60 | C62 | 120.0° | 120.1° |
| C58 | C60 | H60 | 120.0° | 119.9° |
| C62 | C60 | H60 | 120.0° | 119.9° |
| C60 | C62 | C64 | 120.0° | 120.1° |
| C60 | C62 | H62 | 120.0° | 120.0° |
| C64 | C62 | H62 | 120.0° | 120.0° |
| C62 | C64 | H64 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C3 | N1 | H3C1 | 120.5° | 120.1° |
| C6 | C3 | N1 | H3C2 | 118.4° | 120.1° |
| C6 | C3 | H3C1 | H3C2 | 118.6° | 119.8° |
| C3 | C6 | C9 | H6C1 | 120.1° | 120.0° |
| C3 | C6 | C9 | H6C2 | 119.8° | 119.9° |
| C3 | C6 | H6C1 | H6C2 | 119.8° | 120.1° |
| C3 | C6 | C9 | C12 | 58.3° | 55.5° |
| C3 | C6 | C9 | H9C1 | 178.3° | 64.3° |
| C3 | C6 | C9 | H9C2 | 61.7° | 175.4° |
| C6 | C3 | N1 | C15 | 51.8° | 65.7° |
| C6 | C3 | N1 | C18 | 179.9° | 179.7° |
| N1 | C3 | H3C1 | H3C2 | 118.5° | 119.9° |
| N1 | C3 | C6 | C9 | 54.9° | 61.4° |
| N1 | C3 | C6 | H6C1 | 65.2° | 178.7° |
| N1 | C3 | C6 | H6C2 | 174.7° | 58.5° |
| C3 | N1 | C15 | C18 | 128.2° | 114.0° |
| C3 | N1 | C15 | C12 | 51.8° | 65.7° |
| C3 | N1 | C15 | H151 | 68.6° | 174.2° |
| C3 | N1 | C15 | H152 | 170.5° | 54.4° |
| C3 | N1 | C18 | C21 | 81.6° | 180.0° |
| C3 | N1 | C18 | H181 | 157.4° | 60.0° |
| C3 | N1 | C18 | H182 | 34.9° | 60.0° |
| H3C1 | C3 | C6 | C9 | 65.6° | 58.8° |
| H3C1 | C3 | C6 | H6C1 | 174.3° | 61.2° |
| H3C1 | C3 | C6 | H6C2 | 54.2° | 178.7° |
| H3C1 | C3 | N1 | C15 | 68.7° | 54.4° |
| H3C1 | C3 | N1 | C18 | 59.7° | 59.6° |
| H3C2 | C3 | C6 | C9 | 173.3° | 178.5° |
| H3C2 | C3 | C6 | H6C1 | 53.2° | 58.5° |
| H3C2 | C3 | C6 | H6C2 | 66.8° | 61.6° |
| H3C2 | C3 | N1 | C15 | 170.3° | 174.2° |
| H3C2 | C3 | N1 | C18 | 61.4° | 60.2° |
| C9 | C6 | H6C1 | H6C2 | 119.8° | 120.1° |
| C6 | C9 | C12 | H9C1 | 120.0° | 119.8° |
| C6 | C9 | C12 | H9C2 | 120.0° | 119.9° |
| C6 | C9 | H9C1 | H9C2 | 120.0° | 120.3° |
| C6 | C9 | C12 | C15 | 58.6° | 55.5° |
| C6 | C9 | C12 | H121 | 61.5° | 175.5° |
| C6 | C9 | C12 | H122 | 178.4° | 64.4° |
| H6C1 | C6 | C9 | C12 | 61.8° | 175.5° |
| H6C1 | C6 | C9 | H9C1 | 58.2° | 55.7° |
| H6C1 | C6 | C9 | H9C2 | 178.2° | 64.6° |
| H6C2 | C6 | C9 | C12 | 178.1° | 64.3° |
| H6C2 | C6 | C9 | H9C1 | 61.9° | 175.9° |
| H6C2 | C6 | C9 | H9C2 | 58.1° | 55.6° |
| C12 | C9 | H9C1 | H9C2 | 120.0° | 120.3° |
| C9 | C12 | C15 | N1 | 55.0° | 61.4° |
| C9 | C12 | C15 | H121 | 120.1° | 119.9° |
| C9 | C12 | C15 | H122 | 119.8° | 119.9° |
| C9 | C12 | H121 | H122 | 119.8° | 120.1° |
| C9 | C12 | C15 | H151 | 65.4° | 178.5° |
| C9 | C12 | C15 | H152 | 173.7° | 58.7° |
| H9C1 | C9 | C12 | C15 | 178.6° | 64.2° |
| H9C1 | C9 | C12 | H121 | 58.5° | 55.7° |
| H9C1 | C9 | C12 | H122 | 61.6° | 175.8° |
| H9C2 | C9 | C12 | C15 | 61.4° | 175.5° |
| H9C2 | C9 | C12 | H121 | 178.6° | 64.6° |
| H9C2 | C9 | C12 | H122 | 58.4° | 55.5° |
| N1 | C15 | C12 | H151 | 120.4° | 120.1° |
| N1 | C15 | C12 | H152 | 118.7° | 120.1° |
| N1 | C15 | C12 | H121 | 65.1° | 178.7° |
| N1 | C15 | C12 | H122 | 174.7° | 58.5° |
| N1 | C15 | H151 | H152 | 118.8° | 119.8° |
| C15 | N1 | C18 | C21 | 149.2° | 65.5° |
| C15 | N1 | C18 | H181 | 28.2° | 54.4° |
| C15 | N1 | C18 | H182 | 94.3° | 174.5° |
| C18 | N1 | C15 | C12 | 180.0° | 179.7° |
| C18 | N1 | C15 | H151 | 59.6° | 60.2° |
| C18 | N1 | C15 | H152 | 61.3° | 59.6° |
| N1 | C18 | C21 | H181 | 121.0° | 120.0° |
| N1 | C18 | C21 | H182 | 116.5° | 120.0° |
| N1 | C18 | H181 | H182 | 116.9° | 120.0° |
| N1 | C18 | C21 | O24 | 67.1° | 60.0° |
| N1 | C18 | C21 | H211 | 52.8° | 59.9° |
| N1 | C18 | C21 | H212 | 172.6° | 180.0° |
| C15 | C12 | H121 | H122 | 119.8° | 120.2° |
| C12 | C15 | H151 | H152 | 118.8° | 119.9° |
| H121 | C12 | C15 | H151 | 174.5° | 58.6° |
| H121 | C12 | C15 | H152 | 53.6° | 61.2° |
| H122 | C12 | C15 | H151 | 54.3° | 61.6° |
| H122 | C12 | C15 | H152 | 66.5° | 178.6° |
| C21 | C18 | H181 | H182 | 116.9° | 120.0° |
| C18 | C21 | O24 | H211 | 119.9° | 119.9° |
| C18 | C21 | O24 | H212 | 120.3° | 120.0° |
| C18 | C21 | H211 | H212 | 120.3° | 120.0° |
| C18 | C21 | O24 | C25 | 178.2° | 180.0° |
| H181 | C18 | C21 | O24 | 171.9° | 180.0° |
| H181 | C18 | C21 | H211 | 68.2° | 60.1° |
| H181 | C18 | C21 | H212 | 51.7° | 60.0° |
| H182 | C18 | C21 | O24 | 49.4° | 60.1° |
| H182 | C18 | C21 | H211 | 169.3° | 180.0° |
| H182 | C18 | C21 | H212 | 70.9° | 60.0° |
| O24 | C21 | H211 | H212 | 120.3° | 120.0° |
| C21 | O24 | C25 | C26 | 0.4° | 180.0° |
| C21 | O24 | C25 | C33 | 180.0° | 0.1° |
| H211 | C21 | O24 | C25 | 61.9° | 60.1° |
| H212 | C21 | O24 | C25 | 57.9° | 60.0° |
| O24 | C25 | C26 | C33 | 179.6° | 180.0° |
| O24 | C25 | C26 | C28 | 179.4° | 179.9° |
| O24 | C25 | C26 | H26 | 0.5° | 0.1° |
| O24 | C25 | C33 | C31 | 179.5° | 179.7° |
| O24 | C25 | C33 | H33 | 0.5° | 0.0° |
| C25 | C26 | C28 | H26 | 180.0° | 180.0° |
| C25 | C26 | C28 | C30 | 0.1° | 0.1° |
| C25 | C26 | C28 | H28 | 179.9° | 180.0° |
| C26 | C25 | C33 | C31 | 0.1° | 0.3° |
| C26 | C25 | C33 | H33 | 179.9° | 180.0° |
| C33 | C25 | C26 | C28 | 0.1° | 0.0° |
| C33 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C33 | C31 | C30 | 0.0° | 0.5° |
| C25 | C33 | C31 | H33 | 180.0° | 179.7° |
| C25 | C33 | C31 | H31 | 180.0° | 179.9° |
| C26 | C28 | C30 | H28 | 180.0° | 179.9° |
| C26 | C28 | C30 | C31 | 0.0° | 0.3° |
| C26 | C28 | C30 | C35 | 179.9° | 179.9° |
| H26 | C26 | C28 | C30 | 179.9° | 179.9° |
| H26 | C26 | C28 | H28 | 0.1° | 0.0° |
| C28 | C30 | C31 | C35 | 179.9° | 179.8° |
| C28 | C30 | C31 | C33 | 0.1° | 0.5° |
| C28 | C30 | C31 | H31 | 179.9° | 179.9° |
| C28 | C30 | C35 | N37 | 113.9° | 148.8° |
| C28 | C30 | C35 | C45 | 120.1° | 90.1° |
| C28 | C30 | C35 | H35 | 1.0° | 29.4° |
| H28 | C28 | C30 | C31 | 180.0° | 179.8° |
| H28 | C28 | C30 | C35 | 0.1° | 0.0° |
| C30 | C31 | C33 | H31 | 180.0° | 179.6° |
| C30 | C31 | C33 | H33 | 180.0° | 179.8° |
| C31 | C30 | C35 | N37 | 66.0° | 31.4° |
| C31 | C30 | C35 | C45 | 59.9° | 89.8° |
| C31 | C30 | C35 | H35 | 179.0° | 150.8° |
| C35 | C30 | C31 | C33 | 179.9° | 179.7° |
| C35 | C30 | C31 | H31 | 0.1° | 0.1° |
| C30 | C35 | N37 | C45 | 120.7° | 120.3° |
| C30 | C35 | N37 | H35 | 120.8° | 119.4° |
| C30 | C35 | C45 | H35 | 121.2° | 119.4° |
| C30 | C35 | N37 | C38 | 139.7° | 176.7° |
| C30 | C35 | N37 | C55 | 49.2° | 69.5° |
| C30 | C35 | C45 | C44 | 121.7° | 141.0° |
| C30 | C35 | C45 | C46 | 58.2° | 39.1° |
| H31 | C31 | C33 | H33 | 0.0° | 0.2° |
| N37 | C35 | C45 | H35 | 114.8° | 120.3° |
| C35 | N37 | C38 | C55 | 171.3° | 113.7° |
| C35 | N37 | C38 | C41 | 41.4° | 74.6° |
| C35 | N37 | C38 | H381 | 79.3° | 45.2° |
| C35 | N37 | C38 | H382 | 159.2° | 165.6° |
| N37 | C35 | C45 | C44 | 2.3° | 20.7° |
| N37 | C35 | C45 | C46 | 177.8° | 159.4° |
| C35 | N37 | C55 | C56 | 83.9° | 122.1° |
| C35 | N37 | C55 | C64 | 96.2° | 58.2° |
| C45 | C35 | N37 | C38 | 19.0° | 56.4° |
| C45 | C35 | N37 | C55 | 170.0° | 170.2° |
| C35 | C45 | C44 | C41 | 0.7° | 0.2° |
| C35 | C45 | C44 | C46 | 179.9° | 179.9° |
| C35 | C45 | C44 | C51 | 180.0° | 179.8° |
| C35 | C45 | C46 | C48 | 180.0° | 179.8° |
| C35 | C45 | C46 | H46 | 0.0° | 0.1° |
| H35 | C35 | N37 | C38 | 99.5° | 63.9° |
| H35 | C35 | N37 | C55 | 71.6° | 49.9° |
| H35 | C35 | C45 | C44 | 117.0° | 99.6° |
| H35 | C35 | C45 | C46 | 63.0° | 80.3° |
| N37 | C38 | C41 | H381 | 120.6° | 119.8° |
| N37 | C38 | C41 | H382 | 117.8° | 119.7° |
| N37 | C38 | H381 | H382 | 118.0° | 120.3° |
| N37 | C38 | C41 | C44 | 41.6° | 51.9° |
| N37 | C38 | C41 | H411 | 162.1° | 171.9° |
| N37 | C38 | C41 | H412 | 76.5° | 68.0° |
| C38 | N37 | C55 | C56 | 87.3° | 124.1° |
| C38 | N37 | C55 | C64 | 92.6° | 55.6° |
| C55 | N37 | C38 | C41 | 147.3° | 171.6° |
| C55 | N37 | C38 | H381 | 92.0° | 68.5° |
| C55 | N37 | C38 | H382 | 29.5° | 51.9° |
| N37 | C55 | C56 | C64 | 179.9° | 179.7° |
| N37 | C55 | C56 | C58 | 179.7° | 180.0° |
| N37 | C55 | C56 | H56 | 0.2° | 0.0° |
| N37 | C55 | C64 | C62 | 179.6° | 179.8° |
| N37 | C55 | C64 | H64 | 0.3° | 0.3° |
| C41 | C38 | H381 | H382 | 118.0° | 120.4° |
| C38 | C41 | C44 | H411 | 120.6° | 120.0° |
| C38 | C41 | C44 | H412 | 118.1° | 120.0° |
| C38 | C41 | H411 | H412 | 118.2° | 120.0° |
| C38 | C41 | C44 | C45 | 22.6° | 15.5° |
| C38 | C41 | C44 | C51 | 158.1° | 164.9° |
| H381 | C38 | C41 | C44 | 79.1° | 67.9° |
| H381 | C38 | C41 | H411 | 41.5° | 52.1° |
| H381 | C38 | C41 | H412 | 162.9° | 172.1° |
| H382 | C38 | C41 | C44 | 159.4° | 171.6° |
| H382 | C38 | C41 | H411 | 80.1° | 68.4° |
| H382 | C38 | C41 | H412 | 41.3° | 51.7° |
| C44 | C41 | H411 | H412 | 118.2° | 120.0° |
| C41 | C44 | C45 | C51 | 179.3° | 179.6° |
| C41 | C44 | C45 | C46 | 179.2° | 179.9° |
| C41 | C44 | C51 | C50 | 179.4° | 179.8° |
| C41 | C44 | C51 | H51 | 0.6° | 0.1° |
| H411 | C41 | C44 | C45 | 143.2° | 135.4° |
| H411 | C41 | C44 | C51 | 37.5° | 44.9° |
| H412 | C41 | C44 | C45 | 95.4° | 104.5° |
| H412 | C41 | C44 | C51 | 83.9° | 75.2° |
| C44 | C45 | C46 | C48 | 0.0° | 0.1° |
| C44 | C45 | C46 | H46 | 179.9° | 180.0° |
| C45 | C44 | C51 | C50 | 0.1° | 0.6° |
| C45 | C44 | C51 | H51 | 179.9° | 179.8° |
| C51 | C44 | C45 | C46 | 0.1° | 0.3° |
| C44 | C51 | C50 | C48 | 0.2° | 0.6° |
| C44 | C51 | C50 | H51 | 180.0° | 179.6° |
| C44 | C51 | C50 | O53 | 180.0° | 179.6° |
| C45 | C46 | C48 | H46 | 180.0° | 179.9° |
| C45 | C46 | C48 | C50 | 0.1° | 0.1° |
| C45 | C46 | C48 | H48 | 179.9° | 180.0° |
| C46 | C48 | C50 | H48 | 180.0° | 179.9° |
| C46 | C48 | C50 | C51 | 0.2° | 0.3° |
| C46 | C48 | C50 | O53 | 180.0° | 179.9° |
| H46 | C46 | C48 | C50 | 179.9° | 180.0° |
| H46 | C46 | C48 | H48 | 0.1° | 0.1° |
| C48 | C50 | C51 | O53 | 179.7° | 179.8° |
| C48 | C50 | C51 | H51 | 179.8° | 179.8° |
| C48 | C50 | O53 | H53 | 179.7° | 90.0° |
| H48 | C48 | C50 | C51 | 179.7° | 179.7° |
| H48 | C48 | C50 | O53 | 0.0° | 0.1° |
| C51 | C50 | O53 | H53 | 0.0° | 90.2° |
| O53 | C50 | C51 | H51 | 0.0° | 0.0° |
| C55 | C56 | C58 | H56 | 180.0° | 180.0° |
| C55 | C56 | C58 | C60 | 0.0° | 0.0° |
| C55 | C56 | C58 | H58 | 180.0° | 180.0° |
| C56 | C55 | C64 | C62 | 0.5° | 0.5° |
| C56 | C55 | C64 | H64 | 179.5° | 180.0° |
| C64 | C55 | C56 | C58 | 0.4° | 0.3° |
| C64 | C55 | C56 | H56 | 179.6° | 179.7° |
| C55 | C64 | C62 | C60 | 0.2° | 0.5° |
| C55 | C64 | C62 | H64 | 180.0° | 179.5° |
| C55 | C64 | C62 | H62 | 179.8° | 179.7° |
| C56 | C58 | C60 | H58 | 180.0° | 180.0° |
| C56 | C58 | C60 | C62 | 0.2° | 0.0° |
| C56 | C58 | C60 | H60 | 179.8° | 180.0° |
| H56 | C56 | C58 | C60 | 180.0° | 180.0° |
| H56 | C56 | C58 | H58 | 0.0° | 0.0° |
| C58 | C60 | C62 | H60 | 180.0° | 180.0° |
| C58 | C60 | C62 | C64 | 0.1° | 0.3° |
| C58 | C60 | C62 | H62 | 179.8° | 180.0° |
| H58 | C58 | C60 | C62 | 179.8° | 179.9° |
| H58 | C58 | C60 | H60 | 0.2° | 0.1° |
| C60 | C62 | C64 | H62 | 180.0° | 179.7° |
| C60 | C62 | C64 | H64 | 179.8° | 180.0° |
| H60 | C60 | C62 | C64 | 179.9° | 179.8° |
| H60 | C60 | C62 | H62 | 0.2° | 0.0° |
| H62 | C62 | C64 | H64 | 0.2° | 0.3° |
