IID
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.48Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.48Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.39Å | 1.48Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.41Å | 1.49Å | Aromatic |
| C3 | N7 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.47Å | Aromatic |
| C4 | C9 | sing | 1.42Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.48Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N7 | C8 | sing | 1.38Å | 1.35Å | Aromatic |
| N7 | C17 | sing | 1.46Å | 1.49Å | |
| C8 | C9 | doub | 1.36Å | 1.41Å | Aromatic |
| C8 | C11 | sing | 1.47Å | 1.39Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | N12 | sing | 1.35Å | 1.35Å | |
| C11 | O45 | doub | 1.22Å | 1.23Å | |
| N12 | C13 | sing | 1.46Å | 1.44Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C26 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C21 | doub | 1.38Å | 1.49Å | Aromatic |
| C18 | C25 | sing | 1.38Å | 1.48Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.47Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.38Å | 1.47Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.39Å | 1.46Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.39Å | 1.47Å | Aromatic |
| C24 | O1 | sing | 1.36Å | 1.39Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | N1 | sing | 1.47Å | 1.49Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| O1 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C7 | H7C3 | sing | 1.09Å | 1.10Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | N1 | sing | 1.47Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| N1 | C16 | sing | 1.47Å | 1.49Å | |
| C16 | C19 | sing | 1.53Å | 1.52Å | |
| C16 | C20 | sing | 1.53Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 120.6° |
| C2 | C1 | H1 | 120.0° | 119.7° |
| C1 | C2 | C3 | 120.0° | 119.9° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C6 | C1 | H1 | 120.1° | 119.7° |
| C1 | C6 | C5 | 120.0° | 120.7° |
| C1 | C6 | H6 | 120.0° | 119.6° |
| C3 | C2 | H2 | 120.1° | 120.1° |
| C2 | C3 | C4 | 120.3° | 119.4° |
| C2 | C3 | N7 | 133.0° | 133.2° |
| C4 | C3 | N7 | 106.6° | 107.4° |
| C3 | C4 | C5 | 119.0° | 119.7° |
| C3 | C4 | C9 | 107.1° | 106.9° |
| C3 | N7 | C8 | 108.1° | 108.8° |
| C3 | N7 | C17 | 125.7° | 125.6° |
| C5 | C4 | C9 | 134.0° | 133.4° |
| C4 | C5 | C6 | 120.8° | 119.8° |
| C4 | C5 | H5 | 119.6° | 120.1° |
| C4 | C9 | C8 | 105.4° | 107.7° |
| C4 | C9 | H9 | 127.3° | 126.2° |
| C6 | C5 | H5 | 119.6° | 120.1° |
| C5 | C6 | H6 | 120.0° | 119.7° |
| C8 | N7 | C17 | 126.1° | 125.6° |
| N7 | C8 | C9 | 112.8° | 109.1° |
| N7 | C8 | C11 | 123.9° | 125.5° |
| N7 | C17 | C18 | 119.6° | 109.5° |
| N7 | C17 | H171 | 103.9° | 109.5° |
| N7 | C17 | H172 | 106.2° | 109.4° |
| C9 | C8 | C11 | 123.2° | 125.4° |
| C8 | C9 | H9 | 127.3° | 126.1° |
| C8 | C11 | N12 | 116.3° | 120.1° |
| C8 | C11 | O45 | 120.6° | 119.9° |
| N12 | C11 | O45 | 123.1° | 120.0° |
| C11 | N12 | C13 | 110.2° | 120.0° |
| C11 | N12 | H12 | 124.9° | 120.0° |
| C13 | N12 | H12 | 124.9° | 120.0° |
| N12 | C13 | C14 | 110.6° | 109.6° |
| N12 | C13 | C10 | 113.2° | 109.5° |
| N12 | C13 | H13 | 105.4° | 109.6° |
| C14 | C13 | C10 | 107.0° | 108.9° |
| C14 | C13 | H13 | 111.8° | 109.6° |
| C13 | C14 | C26 | 113.0° | 109.2° |
| C13 | C14 | H141 | 107.5° | 109.5° |
| C13 | C14 | H142 | 108.3° | 109.5° |
| C10 | C13 | H13 | 109.1° | 109.6° |
| C13 | C10 | C12 | 112.7° | 109.2° |
| C13 | C10 | H101 | 107.7° | 109.5° |
| C13 | C10 | H102 | 108.4° | 109.5° |
| C26 | C14 | H141 | 107.5° | 109.5° |
| C26 | C14 | H142 | 108.3° | 109.5° |
| C14 | C26 | N1 | 110.3° | 109.8° |
| C14 | C26 | H261 | 109.0° | 109.4° |
| C14 | C26 | H262 | 109.2° | 109.4° |
| H141 | C14 | H142 | 112.3° | 109.5° |
| C18 | C17 | H171 | 103.8° | 109.5° |
| C18 | C17 | H172 | 106.2° | 109.5° |
| C17 | C18 | C21 | 124.7° | 119.9° |
| C17 | C18 | C25 | 115.9° | 120.0° |
| H171 | C17 | H172 | 117.8° | 109.4° |
| C21 | C18 | C25 | 119.4° | 120.1° |
| C18 | C21 | C22 | 119.4° | 120.1° |
| C18 | C21 | H21 | 120.3° | 120.0° |
| C18 | C25 | C24 | 120.9° | 120.0° |
| C18 | C25 | H25 | 119.5° | 120.0° |
| C22 | C21 | H21 | 120.3° | 119.9° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | C24 | 121.3° | 120.0° |
| C22 | C23 | H23 | 119.4° | 120.0° |
| C24 | C23 | H23 | 119.3° | 120.0° |
| C23 | C24 | C25 | 118.8° | 119.9° |
| C23 | C24 | O1 | 114.7° | 120.1° |
| C25 | C24 | O1 | 126.4° | 120.1° |
| C24 | C25 | H25 | 119.5° | 120.0° |
| C24 | O1 | C7 | 123.6° | 106.8° |
| N1 | C26 | H261 | 109.0° | 109.5° |
| N1 | C26 | H262 | 109.2° | 109.4° |
| C26 | N1 | C12 | 115.3° | 107.3° |
| C26 | N1 | C16 | 114.2° | 106.7° |
| H261 | C26 | H262 | 110.1° | 109.4° |
| O1 | C7 | H7C1 | 109.4° | 109.5° |
| O1 | C7 | H7C2 | 109.4° | 109.5° |
| O1 | C7 | H7C3 | 109.5° | 109.5° |
| H7C1 | C7 | H7C2 | 109.5° | 109.5° |
| H7C1 | C7 | H7C3 | 109.5° | 109.5° |
| H7C2 | C7 | H7C3 | 109.5° | 109.5° |
| C12 | C10 | H101 | 107.7° | 109.5° |
| C12 | C10 | H102 | 108.4° | 109.5° |
| C10 | C12 | N1 | 110.9° | 109.7° |
| C10 | C12 | H121 | 108.7° | 109.4° |
| C10 | C12 | H122 | 109.0° | 109.4° |
| H101 | C10 | H102 | 112.0° | 109.6° |
| N1 | C12 | H121 | 108.7° | 109.5° |
| N1 | C12 | H122 | 109.0° | 109.4° |
| C12 | N1 | C16 | 108.2° | 106.7° |
| H121 | C12 | H122 | 110.6° | 109.3° |
| N1 | C16 | C19 | 115.3° | 109.5° |
| N1 | C16 | C20 | 108.9° | 109.4° |
| N1 | C16 | H16 | 106.0° | 109.4° |
| C19 | C16 | C20 | 110.1° | 109.5° |
| C19 | C16 | H16 | 104.8° | 109.6° |
| C16 | C19 | H191 | 109.5° | 109.5° |
| C16 | C19 | H192 | 109.5° | 109.4° |
| C16 | C19 | H193 | 109.5° | 109.4° |
| C20 | C16 | H16 | 111.7° | 109.4° |
| C16 | C20 | H201 | 109.5° | 109.5° |
| C16 | C20 | H202 | 109.5° | 109.5° |
| C16 | C20 | H203 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 1.3° | 0.5° |
| C1 | C2 | C3 | N7 | 179.5° | 179.6° |
| C2 | C1 | C6 | C5 | 1.7° | 0.0° |
| C2 | C1 | C6 | H6 | 178.2° | 180.0° |
| C6 | C1 | C2 | C3 | 0.8° | 0.2° |
| C6 | C1 | C2 | H2 | 179.2° | 180.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.4° | 179.9° |
| H1 | C1 | C2 | C3 | 179.2° | 179.7° |
| H1 | C1 | C2 | H2 | 0.8° | 0.1° |
| H1 | C1 | C6 | C5 | 178.3° | 180.0° |
| H1 | C1 | C6 | H6 | 1.7° | 0.0° |
| C2 | C3 | C4 | N7 | 178.7° | 179.3° |
| C2 | C3 | C4 | C5 | 2.5° | 0.5° |
| C2 | C3 | C4 | C9 | 177.0° | 179.7° |
| C2 | C3 | N7 | C8 | 176.9° | 179.6° |
| C2 | C3 | N7 | C17 | 0.2° | 0.7° |
| H2 | C2 | C3 | C4 | 178.7° | 179.7° |
| H2 | C2 | C3 | N7 | 0.5° | 0.6° |
| C3 | C4 | C5 | C9 | 179.3° | 179.7° |
| C3 | C4 | C5 | C6 | 1.6° | 0.3° |
| C3 | C4 | C5 | H5 | 178.5° | 179.8° |
| C4 | C3 | N7 | C8 | 1.6° | 0.4° |
| C4 | C3 | N7 | C17 | 178.2° | 179.9° |
| C3 | C4 | C9 | C8 | 1.0° | 0.2° |
| C3 | C4 | C9 | H9 | 178.9° | 179.8° |
| N7 | C3 | C4 | C5 | 178.9° | 179.9° |
| N7 | C3 | C4 | C9 | 1.6° | 0.4° |
| C3 | N7 | C8 | C17 | 176.6° | 179.8° |
| C3 | N7 | C8 | C9 | 1.0° | 0.2° |
| C3 | N7 | C8 | C11 | 176.3° | 179.8° |
| C3 | N7 | C17 | C18 | 96.7° | 84.4° |
| C3 | N7 | C17 | H171 | 148.2° | 35.6° |
| C3 | N7 | C17 | H172 | 23.3° | 155.6° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C4 | C9 | C8 | 179.6° | 180.0° |
| C5 | C4 | C9 | H9 | 0.4° | 0.1° |
| C9 | C4 | C5 | C6 | 177.8° | 180.0° |
| C9 | C4 | C5 | H5 | 2.2° | 0.1° |
| C4 | C9 | C8 | N7 | 0.1° | 0.0° |
| C4 | C9 | C8 | H9 | 180.0° | 180.0° |
| C4 | C9 | C8 | C11 | 177.4° | 180.0° |
| H5 | C5 | C6 | H6 | 0.6° | 0.1° |
| N7 | C8 | C9 | C11 | 177.3° | 180.0° |
| N7 | C8 | C9 | H9 | 179.9° | 180.0° |
| N7 | C8 | C11 | N12 | 144.6° | 179.5° |
| N7 | C8 | C11 | O45 | 34.7° | 0.5° |
| C8 | N7 | C17 | C18 | 87.2° | 95.3° |
| C8 | N7 | C17 | H171 | 27.8° | 144.7° |
| C8 | N7 | C17 | H172 | 152.8° | 24.7° |
| C17 | N7 | C8 | C9 | 177.6° | 180.0° |
| C17 | N7 | C8 | C11 | 0.3° | 0.1° |
| N7 | C17 | C18 | H171 | 115.1° | 120.0° |
| N7 | C17 | C18 | H172 | 120.0° | 120.0° |
| N7 | C17 | H171 | H172 | 117.1° | 120.0° |
| N7 | C17 | C18 | C21 | 9.1° | 87.9° |
| N7 | C17 | C18 | C25 | 170.7° | 91.8° |
| C9 | C8 | C11 | N12 | 32.3° | 0.5° |
| C9 | C8 | C11 | O45 | 148.4° | 179.5° |
| C11 | C8 | C9 | H9 | 2.6° | 0.0° |
| C8 | C11 | N12 | O45 | 179.3° | 180.0° |
| C8 | C11 | N12 | C13 | 169.8° | 174.8° |
| C8 | C11 | N12 | H12 | 10.2° | 5.3° |
| C11 | N12 | C13 | H12 | 180.0° | 179.9° |
| C11 | N12 | C13 | C14 | 100.2° | 155.0° |
| C11 | N12 | C13 | C10 | 139.9° | 85.6° |
| C11 | N12 | C13 | H13 | 20.7° | 34.7° |
| O45 | C11 | N12 | C13 | 9.5° | 5.2° |
| O45 | C11 | N12 | H12 | 170.6° | 174.8° |
| N12 | C13 | C14 | C10 | 123.6° | 119.8° |
| N12 | C13 | C14 | H13 | 117.0° | 120.3° |
| N12 | C13 | C10 | H13 | 116.9° | 120.3° |
| N12 | C13 | C14 | C26 | 177.2° | 175.4° |
| N12 | C13 | C14 | H141 | 58.7° | 64.6° |
| N12 | C13 | C14 | H142 | 62.8° | 55.5° |
| N12 | C13 | C10 | C12 | 180.0° | 175.5° |
| N12 | C13 | C10 | H101 | 61.4° | 55.5° |
| N12 | C13 | C10 | H102 | 60.0° | 64.7° |
| H12 | N12 | C13 | C14 | 79.8° | 25.0° |
| H12 | N12 | C13 | C10 | 40.1° | 94.5° |
| H12 | N12 | C13 | H13 | 159.2° | 145.2° |
| C14 | C13 | C10 | H13 | 121.1° | 119.9° |
| C13 | C14 | C26 | H141 | 118.5° | 119.9° |
| C13 | C14 | C26 | H142 | 120.0° | 119.9° |
| C13 | C14 | H141 | H142 | 119.0° | 120.1° |
| C13 | C14 | C26 | N1 | 55.6° | 61.4° |
| C13 | C14 | C26 | H261 | 64.0° | 58.7° |
| C13 | C14 | C26 | H262 | 175.6° | 178.5° |
| C14 | C13 | C10 | C12 | 58.0° | 55.6° |
| C14 | C13 | C10 | H101 | 60.6° | 64.3° |
| C14 | C13 | C10 | H102 | 178.0° | 175.5° |
| C10 | C13 | C14 | C26 | 59.2° | 55.6° |
| C10 | C13 | C14 | H141 | 177.7° | 175.5° |
| C10 | C13 | C14 | H142 | 60.8° | 64.3° |
| C13 | C10 | C12 | H101 | 118.6° | 119.9° |
| C13 | C10 | C12 | H102 | 120.0° | 119.9° |
| C13 | C10 | H101 | H102 | 119.1° | 120.1° |
| C13 | C10 | C12 | N1 | 53.8° | 61.4° |
| C13 | C10 | C12 | H121 | 173.2° | 58.7° |
| C13 | C10 | C12 | H122 | 66.2° | 178.5° |
| H13 | C13 | C14 | C26 | 60.2° | 64.3° |
| H13 | C13 | C14 | H141 | 58.3° | 55.6° |
| H13 | C13 | C14 | H142 | 179.9° | 175.8° |
| H13 | C13 | C10 | C12 | 63.1° | 64.3° |
| H13 | C13 | C10 | H101 | 178.3° | 175.8° |
| H13 | C13 | C10 | H102 | 57.0° | 55.6° |
| C26 | C14 | H141 | H142 | 119.0° | 120.2° |
| C14 | C26 | N1 | H261 | 119.7° | 120.1° |
| C14 | C26 | N1 | H262 | 120.0° | 120.1° |
| C14 | C26 | H261 | H262 | 119.8° | 119.8° |
| C14 | C26 | N1 | C12 | 50.1° | 65.7° |
| C14 | C26 | N1 | C16 | 176.4° | 179.7° |
| H141 | C14 | C26 | N1 | 174.1° | 178.6° |
| H141 | C14 | C26 | H261 | 54.4° | 61.2° |
| H141 | C14 | C26 | H262 | 65.9° | 58.6° |
| H142 | C14 | C26 | N1 | 64.4° | 58.5° |
| H142 | C14 | C26 | H261 | 176.0° | 178.6° |
| H142 | C14 | C26 | H262 | 55.6° | 61.6° |
| C18 | C17 | H171 | H172 | 117.0° | 120.0° |
| C17 | C18 | C21 | C25 | 179.8° | 179.7° |
| C17 | C18 | C21 | C22 | 179.8° | 180.0° |
| C17 | C18 | C21 | H21 | 0.2° | 0.0° |
| C17 | C18 | C25 | C24 | 179.2° | 179.7° |
| C17 | C18 | C25 | H25 | 0.9° | 0.3° |
| H171 | C17 | C18 | C21 | 106.0° | 152.1° |
| H171 | C17 | C18 | C25 | 74.2° | 28.2° |
| H172 | C17 | C18 | C21 | 129.1° | 32.1° |
| H172 | C17 | C18 | C25 | 50.7° | 148.2° |
| C18 | C21 | C22 | H21 | 180.0° | 180.0° |
| C18 | C21 | C22 | C23 | 0.1° | 0.0° |
| C18 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C18 | C25 | C24 | 0.6° | 0.6° |
| C21 | C18 | C25 | H25 | 179.4° | 180.0° |
| C25 | C18 | C21 | C22 | 0.0° | 0.3° |
| C25 | C18 | C21 | H21 | 180.0° | 179.7° |
| C18 | C25 | C24 | C23 | 1.3° | 0.6° |
| C18 | C25 | C24 | H25 | 180.0° | 179.4° |
| C18 | C25 | C24 | O1 | 175.7° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.7° | 0.1° |
| C21 | C22 | C23 | H23 | 179.3° | 179.9° |
| H21 | C21 | C22 | C23 | 179.9° | 180.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.3° | 0.2° |
| C22 | C23 | C24 | O1 | 176.0° | 180.0° |
| H22 | C22 | C23 | C24 | 179.2° | 180.0° |
| H22 | C22 | C23 | H23 | 0.7° | 0.0° |
| C23 | C24 | C25 | O1 | 176.9° | 179.8° |
| C23 | C24 | C25 | H25 | 178.7° | 180.0° |
| C23 | C24 | O1 | C7 | 164.6° | 0.0° |
| H23 | C23 | C24 | C25 | 178.7° | 179.8° |
| H23 | C23 | C24 | O1 | 4.0° | 0.0° |
| C25 | C24 | O1 | C7 | 18.4° | 179.7° |
| O1 | C24 | C25 | H25 | 4.4° | 0.3° |
| C24 | O1 | C7 | H7C1 | 66.2° | 60.0° |
| C24 | O1 | C7 | H7C2 | 173.8° | 180.0° |
| C24 | O1 | C7 | H7C3 | 53.8° | 60.0° |
| N1 | C26 | H261 | H262 | 119.8° | 119.9° |
| C26 | N1 | C12 | C10 | 49.5° | 65.7° |
| C26 | N1 | C12 | C16 | 129.3° | 114.0° |
| C26 | N1 | C12 | H121 | 168.9° | 54.4° |
| C26 | N1 | C12 | H122 | 70.5° | 174.2° |
| C26 | N1 | C16 | C19 | 38.1° | 65.1° |
| C26 | N1 | C16 | C20 | 162.4° | 174.9° |
| C26 | N1 | C16 | H16 | 77.3° | 55.0° |
| H261 | C26 | N1 | C12 | 69.5° | 54.4° |
| H261 | C26 | N1 | C16 | 56.7° | 59.6° |
| H262 | C26 | N1 | C12 | 170.1° | 174.2° |
| H262 | C26 | N1 | C16 | 63.6° | 60.2° |
| O1 | C7 | H7C1 | H7C2 | 120.0° | 120.0° |
| O1 | C7 | H7C1 | H7C3 | 120.0° | 120.0° |
| O1 | C7 | H7C2 | H7C3 | 120.0° | 120.0° |
| H7C1 | C7 | H7C2 | H7C3 | 120.0° | 120.0° |
| C12 | C10 | H101 | H102 | 119.1° | 120.1° |
| C10 | C12 | N1 | H121 | 119.4° | 120.1° |
| C10 | C12 | N1 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H122 | 119.6° | 119.8° |
| C10 | C12 | N1 | C16 | 178.8° | 179.7° |
| H101 | C10 | C12 | N1 | 64.8° | 58.5° |
| H101 | C10 | C12 | H121 | 54.6° | 178.7° |
| H101 | C10 | C12 | H122 | 175.1° | 61.6° |
| H102 | C10 | C12 | N1 | 173.8° | 178.7° |
| H102 | C10 | C12 | H121 | 66.8° | 61.1° |
| H102 | C10 | C12 | H122 | 53.8° | 58.6° |
| N1 | C12 | H121 | H122 | 119.6° | 119.9° |
| C12 | N1 | C16 | C19 | 168.0° | 179.5° |
| C12 | N1 | C16 | C20 | 67.8° | 60.5° |
| C12 | N1 | C16 | H16 | 52.5° | 59.4° |
| H121 | C12 | N1 | C16 | 61.8° | 59.6° |
| H122 | C12 | N1 | C16 | 58.8° | 60.2° |
| N1 | C16 | C19 | C20 | 123.7° | 120.0° |
| N1 | C16 | C19 | H16 | 116.1° | 120.0° |
| N1 | C16 | C20 | H16 | 116.8° | 119.9° |
| N1 | C16 | C19 | H191 | 167.2° | 60.0° |
| N1 | C16 | C19 | H192 | 47.2° | 180.0° |
| N1 | C16 | C19 | H193 | 72.8° | 60.1° |
| N1 | C16 | C20 | H201 | 30.5° | 53.1° |
| N1 | C16 | C20 | H202 | 150.5° | 67.0° |
| N1 | C16 | C20 | H203 | 89.5° | 173.0° |
| C19 | C16 | C20 | H16 | 115.9° | 120.1° |
| C16 | C19 | H191 | H192 | 120.0° | 120.0° |
| C16 | C19 | H191 | H193 | 120.1° | 120.0° |
| C16 | C19 | H192 | H193 | 120.0° | 119.9° |
| C19 | C16 | C20 | H201 | 157.8° | 66.9° |
| C19 | C16 | C20 | H202 | 82.2° | 173.0° |
| C19 | C16 | C20 | H203 | 37.8° | 53.0° |
| C20 | C16 | C19 | H191 | 69.1° | 60.0° |
| C20 | C16 | C19 | H192 | 170.9° | 60.1° |
| C20 | C16 | C19 | H193 | 50.9° | 180.0° |
| C16 | C20 | H201 | H202 | 120.0° | 120.1° |
| C16 | C20 | H201 | H203 | 120.0° | 119.9° |
| C16 | C20 | H202 | H203 | 120.0° | 120.0° |
| H16 | C16 | C19 | H191 | 51.0° | 180.0° |
| H16 | C16 | C19 | H192 | 68.9° | 60.0° |
| H16 | C16 | C19 | H193 | 171.1° | 59.9° |
| H16 | C16 | C20 | H201 | 86.3° | 173.0° |
| H16 | C16 | C20 | H202 | 33.7° | 52.9° |
| H16 | C16 | C20 | H203 | 153.7° | 67.1° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
