MDL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.46Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.47Å | 1.45Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C55 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | N8 | sing | 1.35Å | 1.36Å | |
| C7 | O9 | doub | 1.21Å | 1.24Å | |
| N8 | C11 | sing | 1.47Å | 1.49Å | |
| N8 | C18 | sing | 1.47Å | 1.50Å | |
| C11 | C12 | sing | 1.55Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C15 | sing | 1.55Å | 1.49Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C15 | C18 | sing | 1.54Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | C21 | sing | 1.51Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | N23 | sing | 1.35Å | 1.36Å | |
| C21 | O24 | doub | 1.21Å | 1.22Å | |
| N23 | C25 | sing | 1.46Å | 1.46Å | |
| N23 | HN3 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C44 | sing | 1.51Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.51Å | 1.46Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C30 | doub | 1.34Å | 1.39Å | Aromatic |
| C27 | C31 | sing | 1.47Å | 1.42Å | Aromatic |
| C30 | N33 | sing | 1.37Å | 1.35Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.41Å | 1.38Å | Aromatic |
| C31 | C37 | sing | 1.40Å | 1.43Å | Aromatic |
| C32 | N33 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C34 | sing | 1.39Å | 1.42Å | Aromatic |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.37Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C44 | O46 | doub | 1.21Å | 1.41Å | |
| C44 | C47 | sing | 1.51Å | 1.57Å | |
| C47 | F48 | sing | 1.40Å | 1.34Å | |
| C47 | F49 | sing | 1.40Å | 1.32Å | |
| C47 | C50 | sing | 1.53Å | 1.50Å | |
| C50 | F51 | sing | 1.40Å | 1.30Å | |
| C50 | F52 | sing | 1.40Å | 1.32Å | |
| C50 | F53 | sing | 1.40Å | 1.29Å | |
| C55 | C57 | sing | 1.51Å | 1.53Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C57 | C60 | doub | 1.38Å | 1.43Å | Aromatic |
| C57 | C64 | sing | 1.38Å | 1.41Å | Aromatic |
| C60 | C61 | sing | 1.38Å | 1.42Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C61 | C62 | doub | 1.38Å | 1.40Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| C62 | C63 | sing | 1.38Å | 1.41Å | Aromatic |
| C62 | H62 | sing | 1.08Å | 1.08Å | |
| C63 | C64 | doub | 1.38Å | 1.41Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C64 | H64 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | H11 | 109.5° | 109.5° |
| N2 | C1 | H12 | 109.5° | 109.4° |
| N2 | C1 | H13 | 109.5° | 109.5° |
| C1 | N2 | C6 | 118.7° | 111.0° |
| C1 | N2 | HN2 | 106.5° | 111.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| C6 | N2 | HN2 | 106.5° | 111.0° |
| N2 | C6 | C7 | 105.4° | 109.5° |
| N2 | C6 | C55 | 105.9° | 109.5° |
| N2 | C6 | H6 | 115.1° | 109.5° |
| C7 | C6 | C55 | 111.8° | 109.5° |
| C7 | C6 | H6 | 109.5° | 109.4° |
| C6 | C7 | N8 | 116.6° | 120.0° |
| C6 | C7 | O9 | 120.1° | 120.0° |
| C55 | C6 | H6 | 109.1° | 109.5° |
| C6 | C55 | C57 | 114.9° | 109.5° |
| C6 | C55 | H551 | 107.7° | 109.5° |
| C6 | C55 | H552 | 107.7° | 109.5° |
| N8 | C7 | O9 | 123.4° | 120.0° |
| C7 | N8 | C11 | 129.5° | 125.6° |
| C7 | N8 | C18 | 118.2° | 125.7° |
| C11 | N8 | C18 | 112.3° | 108.7° |
| N8 | C11 | C12 | 103.5° | 104.8° |
| N8 | C11 | H111 | 111.5° | 110.4° |
| N8 | C11 | H112 | 111.5° | 110.4° |
| N8 | C18 | C15 | 102.4° | 107.3° |
| N8 | C18 | C21 | 112.5° | 109.9° |
| N8 | C18 | H18 | 113.2° | 109.9° |
| C12 | C11 | H111 | 111.5° | 110.3° |
| C12 | C11 | H112 | 111.5° | 110.4° |
| C11 | C12 | C15 | 105.5° | 101.6° |
| C11 | C12 | H121 | 110.8° | 111.0° |
| C11 | C12 | H122 | 110.8° | 111.0° |
| H111 | C11 | H112 | 107.4° | 110.4° |
| C15 | C12 | H121 | 110.8° | 111.0° |
| C15 | C12 | H122 | 110.8° | 111.0° |
| C12 | C15 | C18 | 109.1° | 103.0° |
| C12 | C15 | H151 | 109.6° | 110.7° |
| C12 | C15 | H152 | 109.6° | 110.7° |
| H121 | C12 | H122 | 108.1° | 110.9° |
| C18 | C15 | H151 | 109.6° | 110.8° |
| C18 | C15 | H152 | 109.6° | 110.5° |
| C15 | C18 | C21 | 112.3° | 110.0° |
| C15 | C18 | H18 | 113.4° | 109.8° |
| H151 | C15 | H152 | 109.3° | 110.8° |
| C21 | C18 | H18 | 103.4° | 110.0° |
| C18 | C21 | N23 | 112.9° | 120.0° |
| C18 | C21 | O24 | 121.0° | 120.0° |
| N23 | C21 | O24 | 126.0° | 119.9° |
| C21 | N23 | C25 | 122.3° | 120.0° |
| C21 | N23 | HN3 | 118.9° | 120.0° |
| C25 | N23 | HN3 | 118.9° | 120.0° |
| N23 | C25 | C26 | 107.4° | 109.5° |
| N23 | C25 | C44 | 110.1° | 109.5° |
| N23 | C25 | H25 | 110.6° | 109.5° |
| C26 | C25 | C44 | 109.9° | 109.5° |
| C26 | C25 | H25 | 110.8° | 109.5° |
| C25 | C26 | C27 | 109.1° | 109.5° |
| C25 | C26 | H261 | 109.6° | 109.4° |
| C25 | C26 | H262 | 109.6° | 109.5° |
| C44 | C25 | H25 | 108.1° | 109.4° |
| C25 | C44 | O46 | 103.1° | 120.0° |
| C25 | C44 | C47 | 109.2° | 120.0° |
| C27 | C26 | H261 | 109.6° | 109.5° |
| C27 | C26 | H262 | 109.6° | 109.5° |
| C26 | C27 | C30 | 125.5° | 126.5° |
| C26 | C27 | C31 | 124.8° | 126.5° |
| H261 | C26 | H262 | 109.3° | 109.5° |
| C30 | C27 | C31 | 108.6° | 107.0° |
| C27 | C30 | N33 | 106.8° | 109.9° |
| C27 | C30 | H30 | 126.6° | 125.0° |
| C27 | C31 | C32 | 106.9° | 106.0° |
| C27 | C31 | C37 | 133.9° | 134.0° |
| N33 | C30 | H30 | 126.6° | 125.1° |
| C30 | N33 | C32 | 110.9° | 109.9° |
| C30 | N33 | HN33 | 124.5° | 125.0° |
| C32 | C31 | C37 | 119.2° | 120.0° |
| C31 | C32 | N33 | 106.7° | 107.2° |
| C31 | C32 | C34 | 119.2° | 119.3° |
| C31 | C37 | C36 | 122.7° | 119.8° |
| C31 | C37 | H37 | 118.6° | 120.1° |
| N33 | C32 | C34 | 134.1° | 133.5° |
| C32 | N33 | HN33 | 124.5° | 125.1° |
| C32 | C34 | C35 | 121.1° | 119.7° |
| C32 | C34 | H34 | 119.4° | 120.1° |
| C35 | C34 | H34 | 119.4° | 120.1° |
| C34 | C35 | C36 | 120.4° | 120.7° |
| C34 | C35 | H35 | 119.8° | 119.6° |
| C36 | C35 | H35 | 119.8° | 119.7° |
| C35 | C36 | C37 | 117.3° | 120.5° |
| C35 | C36 | H36 | 121.4° | 119.7° |
| C37 | C36 | H36 | 121.3° | 119.7° |
| C36 | C37 | H37 | 118.6° | 120.1° |
| O46 | C44 | C47 | 112.3° | 120.1° |
| C44 | C47 | F48 | 110.2° | 109.5° |
| C44 | C47 | F49 | 108.1° | 109.4° |
| C44 | C47 | C50 | 116.2° | 109.5° |
| F48 | C47 | F49 | 106.7° | 109.5° |
| F48 | C47 | C50 | 110.9° | 109.5° |
| F49 | C47 | C50 | 104.0° | 109.4° |
| C47 | C50 | F51 | 105.0° | 109.4° |
| C47 | C50 | F52 | 111.5° | 109.5° |
| C47 | C50 | F53 | 108.1° | 109.5° |
| F51 | C50 | F52 | 109.9° | 109.5° |
| F51 | C50 | F53 | 110.7° | 109.5° |
| F52 | C50 | F53 | 111.5° | 109.4° |
| C57 | C55 | H551 | 107.7° | 109.5° |
| C57 | C55 | H552 | 107.7° | 109.5° |
| C55 | C57 | C60 | 122.0° | 120.0° |
| C55 | C57 | C64 | 119.2° | 120.0° |
| H551 | C55 | H552 | 111.2° | 109.5° |
| C60 | C57 | C64 | 118.8° | 120.0° |
| C57 | C60 | C61 | 120.2° | 120.0° |
| C57 | C60 | H60 | 119.9° | 120.0° |
| C57 | C64 | C63 | 120.8° | 120.0° |
| C57 | C64 | H64 | 119.6° | 120.0° |
| C61 | C60 | H60 | 119.9° | 120.0° |
| C60 | C61 | C62 | 119.9° | 120.0° |
| C60 | C61 | H61 | 120.0° | 120.0° |
| C62 | C61 | H61 | 120.0° | 119.9° |
| C61 | C62 | C63 | 120.2° | 120.0° |
| C61 | C62 | H62 | 119.9° | 120.0° |
| C63 | C62 | H62 | 119.9° | 120.0° |
| C62 | C63 | C64 | 120.0° | 120.0° |
| C62 | C63 | H63 | 120.0° | 120.0° |
| C64 | C63 | H63 | 120.0° | 120.0° |
| C63 | C64 | H64 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | H11 | H12 | 120.0° | 119.9° |
| N2 | C1 | H11 | H13 | 120.0° | 120.0° |
| N2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | N2 | C6 | HN2 | 120.0° | 123.9° |
| C1 | N2 | C6 | C7 | 58.7° | 85.4° |
| C1 | N2 | C6 | C55 | 177.3° | 154.6° |
| C1 | N2 | C6 | H6 | 62.1° | 34.6° |
| H11 | C1 | H12 | H13 | 120.0° | 120.1° |
| H11 | C1 | N2 | C6 | 180.0° | 175.3° |
| H11 | C1 | N2 | HN2 | 60.0° | 60.8° |
| H12 | C1 | N2 | C6 | 60.0° | 64.8° |
| H12 | C1 | N2 | HN2 | 60.0° | 59.2° |
| H13 | C1 | N2 | C6 | 60.0° | 55.2° |
| H13 | C1 | N2 | HN2 | 180.0° | 179.1° |
| N2 | C6 | C7 | C55 | 114.5° | 120.0° |
| N2 | C6 | C7 | H6 | 124.4° | 120.0° |
| N2 | C6 | C55 | H6 | 124.5° | 120.0° |
| N2 | C6 | C7 | N8 | 136.9° | 153.1° |
| N2 | C6 | C7 | O9 | 43.1° | 26.9° |
| N2 | C6 | C55 | C57 | 165.9° | 65.0° |
| N2 | C6 | C55 | H551 | 74.1° | 175.0° |
| N2 | C6 | C55 | H552 | 45.9° | 55.0° |
| HN2 | N2 | C6 | C7 | 61.3° | 38.6° |
| HN2 | N2 | C6 | C55 | 57.3° | 81.5° |
| HN2 | N2 | C6 | H6 | 177.9° | 158.5° |
| C7 | C6 | C55 | H6 | 121.3° | 120.0° |
| C6 | C7 | N8 | O9 | 180.0° | 180.0° |
| C6 | C7 | N8 | C11 | 4.8° | 0.0° |
| C6 | C7 | N8 | C18 | 175.9° | 179.7° |
| C7 | C6 | C55 | C57 | 79.9° | 175.0° |
| C7 | C6 | C55 | H551 | 40.1° | 55.0° |
| C7 | C6 | C55 | H552 | 160.1° | 65.0° |
| C55 | C6 | C7 | N8 | 108.6° | 86.9° |
| C55 | C6 | C7 | O9 | 71.4° | 93.1° |
| C6 | C55 | C57 | H551 | 120.0° | 120.0° |
| C6 | C55 | C57 | H552 | 120.0° | 120.0° |
| C6 | C55 | H551 | H552 | 117.8° | 120.0° |
| C6 | C55 | C57 | C60 | 53.6° | 90.0° |
| C6 | C55 | C57 | C64 | 126.6° | 90.3° |
| H6 | C6 | C7 | N8 | 12.5° | 33.0° |
| H6 | C6 | C7 | O9 | 167.5° | 146.9° |
| H6 | C6 | C55 | C57 | 41.4° | 55.0° |
| H6 | C6 | C55 | H551 | 161.4° | 65.0° |
| H6 | C6 | C55 | H552 | 78.6° | 175.0° |
| C7 | N8 | C11 | C18 | 179.3° | 179.8° |
| C7 | N8 | C11 | C12 | 163.8° | 155.9° |
| C7 | N8 | C11 | H111 | 43.8° | 37.0° |
| C7 | N8 | C11 | H112 | 76.2° | 85.3° |
| C7 | N8 | C18 | C15 | 179.7° | 178.8° |
| C7 | N8 | C18 | C21 | 59.5° | 61.6° |
| C7 | N8 | C18 | H18 | 57.3° | 59.5° |
| O9 | C7 | N8 | C11 | 175.2° | 180.0° |
| O9 | C7 | N8 | C18 | 4.1° | 0.3° |
| N8 | C11 | C12 | H111 | 120.0° | 118.9° |
| N8 | C11 | C12 | H112 | 120.0° | 118.8° |
| N8 | C11 | H111 | H112 | 122.4° | 122.3° |
| N8 | C11 | C12 | C15 | 25.3° | 37.0° |
| N8 | C11 | C12 | H121 | 94.7° | 81.1° |
| N8 | C11 | C12 | H122 | 145.3° | 155.0° |
| C11 | N8 | C18 | C15 | 0.3° | 1.4° |
| C11 | N8 | C18 | C21 | 121.1° | 118.2° |
| C11 | N8 | C18 | H18 | 122.2° | 120.7° |
| C18 | N8 | C11 | C12 | 15.6° | 24.3° |
| C18 | N8 | C11 | H111 | 135.5° | 143.2° |
| C18 | N8 | C11 | H112 | 104.4° | 94.5° |
| N8 | C18 | C15 | C12 | 16.9° | 21.9° |
| N8 | C18 | C15 | C21 | 120.9° | 119.5° |
| N8 | C18 | C15 | H18 | 122.3° | 119.3° |
| N8 | C18 | C15 | H151 | 136.9° | 140.3° |
| N8 | C18 | C15 | H152 | 103.1° | 96.5° |
| N8 | C18 | C21 | H18 | 122.5° | 121.1° |
| N8 | C18 | C21 | N23 | 150.4° | 180.0° |
| N8 | C18 | C21 | O24 | 26.0° | 0.0° |
| C12 | C11 | H111 | H112 | 122.4° | 122.3° |
| C11 | C12 | C15 | H121 | 120.0° | 118.1° |
| C11 | C12 | C15 | H122 | 120.0° | 118.1° |
| C11 | C12 | H121 | H122 | 121.6° | 123.9° |
| C11 | C12 | C15 | C18 | 27.0° | 35.3° |
| C11 | C12 | C15 | H151 | 147.0° | 153.9° |
| C11 | C12 | C15 | H152 | 93.0° | 82.9° |
| H111 | C11 | C12 | C15 | 145.3° | 155.9° |
| H111 | C11 | C12 | H121 | 25.3° | 37.8° |
| H111 | C11 | C12 | H122 | 94.7° | 86.1° |
| H112 | C11 | C12 | C15 | 94.6° | 81.8° |
| H112 | C11 | C12 | H121 | 145.4° | 160.1° |
| H112 | C11 | C12 | H122 | 25.3° | 36.2° |
| C15 | C12 | H121 | H122 | 121.6° | 123.9° |
| C12 | C15 | C18 | H151 | 120.0° | 118.5° |
| C12 | C15 | C18 | H152 | 120.0° | 118.3° |
| C12 | C15 | H151 | H152 | 120.2° | 123.3° |
| C12 | C15 | C18 | C21 | 137.8° | 141.3° |
| C12 | C15 | C18 | H18 | 105.4° | 97.5° |
| H121 | C12 | C15 | C18 | 92.9° | 82.8° |
| H121 | C12 | C15 | H151 | 27.1° | 35.8° |
| H121 | C12 | C15 | H152 | 147.1° | 159.1° |
| H122 | C12 | C15 | C18 | 147.0° | 153.4° |
| H122 | C12 | C15 | H151 | 93.0° | 88.1° |
| H122 | C12 | C15 | H152 | 27.0° | 35.2° |
| C18 | C15 | H151 | H152 | 120.2° | 123.1° |
| C15 | C18 | C21 | H18 | 122.6° | 121.1° |
| C15 | C18 | C21 | N23 | 94.7° | 62.1° |
| C15 | C18 | C21 | O24 | 88.8° | 117.8° |
| H151 | C15 | C18 | C21 | 102.2° | 100.2° |
| H151 | C15 | C18 | H18 | 14.6° | 21.0° |
| H152 | C15 | C18 | C21 | 17.8° | 23.0° |
| H152 | C15 | C18 | H18 | 134.6° | 144.2° |
| C18 | C21 | N23 | O24 | 176.3° | 179.9° |
| C18 | C21 | N23 | C25 | 172.8° | 180.0° |
| C18 | C21 | N23 | HN3 | 7.2° | 0.0° |
| H18 | C18 | C21 | N23 | 28.0° | 59.0° |
| H18 | C18 | C21 | O24 | 148.5° | 121.1° |
| C21 | N23 | C25 | HN3 | 180.0° | 180.0° |
| C21 | N23 | C25 | C26 | 132.0° | 155.0° |
| C21 | N23 | C25 | C44 | 108.3° | 85.0° |
| C21 | N23 | C25 | H25 | 11.0° | 34.9° |
| O24 | C21 | N23 | C25 | 11.0° | 0.0° |
| O24 | C21 | N23 | HN3 | 169.0° | 180.0° |
| N23 | C25 | C26 | C44 | 119.8° | 120.0° |
| N23 | C25 | C26 | H25 | 120.8° | 120.0° |
| N23 | C25 | C44 | H25 | 120.9° | 120.0° |
| N23 | C25 | C26 | C27 | 76.0° | 65.0° |
| N23 | C25 | C26 | H261 | 44.0° | 55.0° |
| N23 | C25 | C26 | H262 | 164.0° | 175.0° |
| N23 | C25 | C44 | O46 | 169.8° | 15.0° |
| N23 | C25 | C44 | C47 | 70.6° | 165.0° |
| HN3 | N23 | C25 | C26 | 48.1° | 25.0° |
| HN3 | N23 | C25 | C44 | 71.6° | 95.0° |
| HN3 | N23 | C25 | H25 | 169.0° | 145.0° |
| C26 | C25 | C44 | H25 | 121.0° | 120.0° |
| C25 | C26 | C27 | H261 | 120.0° | 120.0° |
| C25 | C26 | C27 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H262 | 120.2° | 120.0° |
| C25 | C26 | C27 | C30 | 35.5° | 95.0° |
| C25 | C26 | C27 | C31 | 157.8° | 84.7° |
| C26 | C25 | C44 | O46 | 51.7° | 105.0° |
| C26 | C25 | C44 | C47 | 171.2° | 75.0° |
| C44 | C25 | C26 | C27 | 164.2° | 175.0° |
| C44 | C25 | C26 | H261 | 75.8° | 65.0° |
| C44 | C25 | C26 | H262 | 44.2° | 55.0° |
| C25 | C44 | O46 | C47 | 117.4° | 180.0° |
| C25 | C44 | C47 | F48 | 49.5° | 65.0° |
| C25 | C44 | C47 | F49 | 66.7° | 175.0° |
| C25 | C44 | C47 | C50 | 176.8° | 55.0° |
| H25 | C25 | C26 | C27 | 44.8° | 55.1° |
| H25 | C25 | C26 | H261 | 164.8° | 175.0° |
| H25 | C25 | C26 | H262 | 75.2° | 65.0° |
| H25 | C25 | C44 | O46 | 69.3° | 135.0° |
| H25 | C25 | C44 | C47 | 50.3° | 45.0° |
| C27 | C26 | H261 | H262 | 120.1° | 120.0° |
| C26 | C27 | C30 | C31 | 168.5° | 179.7° |
| C26 | C27 | C30 | N33 | 166.4° | 180.0° |
| C26 | C27 | C30 | H30 | 13.6° | 0.0° |
| C26 | C27 | C31 | C32 | 165.7° | 180.0° |
| C26 | C27 | C31 | C37 | 14.9° | 0.0° |
| H261 | C26 | C27 | C30 | 155.5° | 145.0° |
| H261 | C26 | C27 | C31 | 37.8° | 35.3° |
| H262 | C26 | C27 | C30 | 84.5° | 25.0° |
| H262 | C26 | C27 | C31 | 82.1° | 155.3° |
| C27 | C30 | N33 | H30 | 180.0° | 180.0° |
| C30 | C27 | C31 | C32 | 2.9° | 0.2° |
| C30 | C27 | C31 | C37 | 176.5° | 179.8° |
| C27 | C30 | N33 | C32 | 0.5° | 0.2° |
| C27 | C30 | N33 | HN33 | 179.5° | 180.0° |
| C31 | C27 | C30 | N33 | 2.1° | 0.3° |
| C31 | C27 | C30 | H30 | 177.9° | 179.8° |
| C27 | C31 | C32 | C37 | 179.4° | 180.0° |
| C27 | C31 | C32 | N33 | 2.5° | 0.1° |
| C27 | C31 | C32 | C34 | 178.2° | 180.0° |
| C27 | C31 | C37 | C36 | 179.3° | 180.0° |
| C27 | C31 | C37 | H37 | 0.7° | 0.1° |
| C30 | N33 | C32 | C31 | 1.3° | 0.1° |
| C30 | N33 | C32 | HN33 | 180.0° | 179.7° |
| C30 | N33 | C32 | C34 | 179.6° | 179.9° |
| H30 | C30 | N33 | C32 | 179.5° | 179.8° |
| H30 | C30 | N33 | HN33 | 0.5° | 0.1° |
| C31 | C32 | N33 | C34 | 179.1° | 179.9° |
| C31 | C32 | N33 | HN33 | 178.7° | 179.8° |
| C31 | C32 | C34 | C35 | 1.4° | 0.0° |
| C31 | C32 | C34 | H34 | 178.6° | 180.0° |
| C32 | C31 | C37 | C36 | 1.4° | 0.0° |
| C32 | C31 | C37 | H37 | 178.5° | 179.9° |
| C37 | C31 | C32 | N33 | 177.0° | 179.9° |
| C37 | C31 | C32 | C34 | 2.3° | 0.0° |
| C31 | C37 | C36 | C35 | 0.5° | 0.1° |
| C31 | C37 | C36 | H37 | 180.0° | 179.9° |
| C31 | C37 | C36 | H36 | 179.5° | 180.0° |
| N33 | C32 | C34 | C35 | 177.7° | 179.9° |
| N33 | C32 | C34 | H34 | 2.3° | 0.1° |
| C34 | C32 | N33 | HN33 | 0.4° | 0.1° |
| C32 | C34 | C35 | H34 | 180.0° | 180.0° |
| C32 | C34 | C35 | C36 | 0.5° | 0.0° |
| C32 | C34 | C35 | H35 | 179.5° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 1.4° | 0.0° |
| C34 | C35 | C36 | H36 | 178.6° | 180.0° |
| H34 | C34 | C35 | C36 | 179.4° | 180.0° |
| H34 | C34 | C35 | H35 | 0.6° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | H37 | 179.5° | 180.0° |
| H35 | C35 | C36 | C37 | 178.6° | 179.9° |
| H35 | C35 | C36 | H36 | 1.4° | 0.0° |
| H36 | C36 | C37 | H37 | 0.5° | 0.0° |
| O46 | C44 | C47 | F48 | 64.2° | 115.0° |
| O46 | C44 | C47 | F49 | 179.6° | 5.0° |
| O46 | C44 | C47 | C50 | 63.1° | 125.0° |
| C44 | C47 | F48 | F49 | 117.1° | 120.0° |
| C44 | C47 | F48 | C50 | 130.2° | 120.0° |
| C44 | C47 | F49 | C50 | 124.1° | 120.0° |
| C44 | C47 | C50 | F51 | 175.8° | 60.1° |
| C44 | C47 | C50 | F52 | 65.3° | 180.0° |
| C44 | C47 | C50 | F53 | 57.6° | 60.0° |
| F48 | C47 | F49 | C50 | 117.4° | 120.0° |
| F48 | C47 | C50 | F51 | 48.9° | 60.0° |
| F48 | C47 | C50 | F52 | 167.8° | 60.0° |
| F48 | C47 | C50 | F53 | 69.3° | 180.0° |
| F49 | C47 | C50 | F51 | 65.5° | 180.0° |
| F49 | C47 | C50 | F52 | 53.4° | 60.0° |
| F49 | C47 | C50 | F53 | 176.3° | 60.0° |
| C47 | C50 | F51 | F52 | 120.0° | 120.0° |
| C47 | C50 | F51 | F53 | 116.4° | 120.0° |
| C47 | C50 | F52 | F53 | 120.9° | 120.0° |
| F51 | C50 | F52 | F53 | 123.2° | 120.0° |
| C57 | C55 | H551 | H552 | 117.8° | 120.0° |
| C55 | C57 | C60 | C64 | 179.9° | 179.7° |
| C55 | C57 | C60 | C61 | 176.8° | 180.0° |
| C55 | C57 | C60 | H60 | 3.2° | 0.0° |
| C55 | C57 | C64 | C63 | 177.3° | 179.8° |
| C55 | C57 | C64 | H64 | 2.7° | 0.1° |
| H551 | C55 | C57 | C60 | 173.6° | 30.0° |
| H551 | C55 | C57 | C64 | 6.6° | 149.7° |
| H552 | C55 | C57 | C60 | 66.4° | 150.0° |
| H552 | C55 | C57 | C64 | 113.4° | 29.7° |
| C57 | C60 | C61 | H60 | 180.0° | 180.0° |
| C57 | C60 | C61 | C62 | 0.5° | 0.0° |
| C57 | C60 | C61 | H61 | 179.5° | 180.0° |
| C60 | C57 | C64 | C63 | 2.8° | 0.5° |
| C60 | C57 | C64 | H64 | 177.2° | 179.7° |
| C64 | C57 | C60 | C61 | 3.3° | 0.3° |
| C64 | C57 | C60 | H60 | 176.7° | 179.7° |
| C57 | C64 | C63 | C62 | 0.5° | 0.5° |
| C57 | C64 | C63 | H64 | 180.0° | 179.7° |
| C57 | C64 | C63 | H63 | 179.5° | 179.7° |
| C60 | C61 | C62 | H61 | 180.0° | 180.0° |
| C60 | C61 | C62 | C63 | 2.9° | 0.0° |
| C60 | C61 | C62 | H62 | 177.1° | 179.9° |
| H60 | C60 | C61 | C62 | 179.5° | 180.0° |
| H60 | C60 | C61 | H61 | 0.5° | 0.0° |
| C61 | C62 | C63 | H62 | 180.0° | 179.9° |
| C61 | C62 | C63 | C64 | 3.4° | 0.3° |
| C61 | C62 | C63 | H63 | 176.6° | 180.0° |
| H61 | C61 | C62 | C63 | 177.1° | 180.0° |
| H61 | C61 | C62 | H62 | 2.9° | 0.1° |
| C62 | C63 | C64 | H63 | 180.0° | 179.7° |
| C62 | C63 | C64 | H64 | 179.5° | 179.7° |
| H62 | C62 | C63 | C64 | 176.6° | 179.9° |
| H62 | C62 | C63 | H63 | 3.4° | 0.1° |
| H63 | C63 | C64 | H64 | 0.5° | 0.0° |
