TDE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O8 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.51Å | 1.55Å | |
| C2 | N1 | sing | 1.34Å | 1.39Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | N9 | sing | 1.46Å | 1.46Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.52Å | 1.59Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.52Å | 1.58Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.59Å | |
| C6 | O7 | sing | 1.43Å | 1.46Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | N1 | sing | 1.47Å | 1.50Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| N9 | C10 | sing | 1.35Å | 1.38Å | |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| C10 | C12 | sing | 1.51Å | 1.52Å | |
| C10 | O11 | doub | 1.21Å | 1.24Å | |
| C12 | O21 | sing | 1.43Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| O21 | C25 | sing | 1.43Å | 1.48Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C13 | O22 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C14 | O23 | sing | 1.43Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C15 | O24 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.12Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C16 | C17 | doub | 1.31Å | 1.35Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C21 | sing | 1.53Å | 1.55Å | |
| C18 | C20 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C21 | H213 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C2 | C3 | 117.9° | 120.1° |
| O8 | C2 | N1 | 120.4° | 119.9° |
| C3 | C2 | N1 | 121.7° | 120.0° |
| C2 | C3 | C4 | 112.8° | 108.6° |
| C2 | C3 | N9 | 113.0° | 109.6° |
| C2 | C3 | H3 | 103.7° | 109.7° |
| C2 | N1 | C7 | 124.7° | 120.5° |
| C2 | N1 | HN1 | 113.4° | 119.7° |
| C4 | C3 | N9 | 106.4° | 109.6° |
| C4 | C3 | H3 | 110.6° | 109.6° |
| C3 | C4 | C5 | 112.5° | 110.7° |
| C3 | C4 | H41 | 111.1° | 109.2° |
| C3 | C4 | H42 | 111.1° | 109.2° |
| N9 | C3 | H3 | 110.4° | 109.6° |
| C3 | N9 | C10 | 120.3° | 120.0° |
| C3 | N9 | HN9 | 122.7° | 120.0° |
| C5 | C4 | H41 | 111.1° | 109.2° |
| C5 | C4 | H42 | 111.1° | 109.3° |
| C4 | C5 | C6 | 116.2° | 113.8° |
| C4 | C5 | H51 | 109.8° | 108.6° |
| C4 | C5 | H52 | 109.8° | 108.7° |
| H41 | C4 | H42 | 99.2° | 109.1° |
| C6 | C5 | H51 | 109.8° | 108.6° |
| C6 | C5 | H52 | 109.7° | 108.6° |
| C5 | C6 | C7 | 112.3° | 110.9° |
| C5 | C6 | O7 | 109.3° | 109.2° |
| C5 | C6 | H6 | 106.9° | 109.2° |
| H51 | C5 | H52 | 100.4° | 108.5° |
| C7 | C6 | O7 | 107.3° | 109.2° |
| C7 | C6 | H6 | 109.1° | 109.2° |
| C6 | C7 | N1 | 113.2° | 108.7° |
| C6 | C7 | H71 | 110.8° | 109.6° |
| C6 | C7 | H72 | 110.8° | 109.6° |
| O7 | C6 | H6 | 112.0° | 109.2° |
| C6 | O7 | HO7 | 109.3° | 106.8° |
| N1 | C7 | H71 | 110.9° | 109.6° |
| N1 | C7 | H72 | 110.8° | 109.6° |
| C7 | N1 | HN1 | 121.9° | 119.8° |
| H71 | C7 | H72 | 99.5° | 109.8° |
| C10 | N9 | HN9 | 116.9° | 120.0° |
| N9 | C10 | C12 | 119.1° | 120.0° |
| N9 | C10 | O11 | 123.3° | 120.0° |
| C12 | C10 | O11 | 117.6° | 120.0° |
| C10 | C12 | O21 | 110.4° | 109.5° |
| C10 | C12 | C13 | 104.5° | 109.5° |
| C10 | C12 | H12 | 111.4° | 109.4° |
| O21 | C12 | C13 | 107.2° | 109.5° |
| O21 | C12 | H12 | 108.9° | 109.4° |
| C12 | O21 | C25 | 112.4° | 106.8° |
| C13 | C12 | H12 | 114.3° | 109.5° |
| C12 | C13 | O22 | 110.3° | 109.5° |
| C12 | C13 | C14 | 115.1° | 109.5° |
| C12 | C13 | H13 | 104.7° | 109.4° |
| O21 | C25 | H251 | 112.5° | 109.4° |
| O21 | C25 | H252 | 111.1° | 109.5° |
| O21 | C25 | H253 | 111.1° | 109.5° |
| H251 | C25 | H252 | 111.2° | 109.5° |
| H251 | C25 | H253 | 111.1° | 109.5° |
| H252 | C25 | H253 | 99.2° | 109.5° |
| O22 | C13 | C14 | 108.7° | 109.5° |
| O22 | C13 | H13 | 111.6° | 109.4° |
| C13 | O22 | H22 | 110.3° | 106.8° |
| C14 | C13 | H13 | 106.4° | 109.4° |
| C13 | C14 | O23 | 107.9° | 109.4° |
| C13 | C14 | C15 | 111.3° | 109.5° |
| C13 | C14 | H14 | 108.9° | 109.5° |
| O23 | C14 | C15 | 108.3° | 109.5° |
| O23 | C14 | H14 | 111.9° | 109.5° |
| C14 | O23 | H23 | 108.0° | 106.8° |
| C15 | C14 | H14 | 108.5° | 109.4° |
| C14 | C15 | O24 | 110.2° | 109.4° |
| C14 | C15 | C16 | 109.6° | 109.4° |
| C14 | C15 | H15 | 108.7° | 109.5° |
| O24 | C15 | C16 | 108.8° | 109.5° |
| O24 | C15 | H15 | 109.5° | 109.5° |
| C15 | O24 | H24 | 110.2° | 106.7° |
| C16 | C15 | H15 | 110.1° | 109.5° |
| C15 | C16 | C17 | 123.6° | 120.0° |
| C15 | C16 | H16 | 124.8° | 120.0° |
| C17 | C16 | H16 | 111.6° | 120.0° |
| C16 | C17 | C18 | 128.8° | 120.0° |
| C16 | C17 | H17 | 108.2° | 120.0° |
| C18 | C17 | H17 | 123.0° | 120.0° |
| C17 | C18 | C21 | 106.1° | 109.5° |
| C17 | C18 | C20 | 108.5° | 109.5° |
| C17 | C18 | C19 | 116.7° | 109.5° |
| C21 | C18 | C20 | 110.6° | 109.4° |
| C21 | C18 | C19 | 107.4° | 109.5° |
| C18 | C21 | H211 | 106.1° | 109.5° |
| C18 | C21 | H212 | 113.5° | 109.5° |
| C18 | C21 | H213 | 113.5° | 109.4° |
| C20 | C18 | C19 | 107.5° | 109.4° |
| C18 | C20 | H201 | 108.5° | 109.4° |
| C18 | C20 | H202 | 112.6° | 109.4° |
| C18 | C20 | H203 | 112.6° | 109.5° |
| C18 | C19 | H191 | 116.7° | 109.4° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.6° | 109.5° |
| H211 | C21 | H212 | 113.5° | 109.5° |
| H211 | C21 | H213 | 113.5° | 109.5° |
| H212 | C21 | H213 | 97.0° | 109.5° |
| H201 | C20 | H202 | 112.6° | 109.5° |
| H201 | C20 | H203 | 112.5° | 109.5° |
| H202 | C20 | H203 | 97.9° | 109.4° |
| H191 | C19 | H192 | 109.6° | 109.4° |
| H191 | C19 | H193 | 109.6° | 109.4° |
| H192 | C19 | H193 | 100.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C2 | C3 | N1 | 179.8° | 179.8° |
| O8 | C2 | C3 | C4 | 114.6° | 108.7° |
| O8 | C2 | C3 | N9 | 6.2° | 131.5° |
| O8 | C2 | C3 | H3 | 125.7° | 11.1° |
| O8 | C2 | N1 | C7 | 179.9° | 179.7° |
| O8 | C2 | N1 | HN1 | 0.0° | 0.2° |
| C2 | C3 | C4 | N9 | 124.5° | 119.8° |
| C2 | C3 | C4 | H3 | 115.6° | 119.8° |
| C2 | C3 | N9 | H3 | 115.6° | 120.4° |
| C2 | C3 | C4 | C5 | 79.5° | 85.0° |
| C2 | C3 | C4 | H41 | 155.2° | 35.3° |
| C2 | C3 | C4 | H42 | 45.7° | 154.6° |
| C3 | C2 | N1 | C7 | 0.1° | 0.5° |
| C3 | C2 | N1 | HN1 | 179.9° | 179.6° |
| C2 | C3 | N9 | C10 | 90.3° | 77.4° |
| C2 | C3 | N9 | HN9 | 89.7° | 102.7° |
| N1 | C2 | C3 | C4 | 65.2° | 71.1° |
| N1 | C2 | C3 | N9 | 174.0° | 48.7° |
| N1 | C2 | C3 | H3 | 54.4° | 169.1° |
| C2 | N1 | C7 | C6 | 63.9° | 72.1° |
| C2 | N1 | C7 | HN1 | 179.9° | 179.9° |
| C2 | N1 | C7 | H71 | 61.3° | 168.2° |
| C2 | N1 | C7 | H72 | 170.9° | 47.7° |
| C4 | C3 | N9 | H3 | 120.0° | 120.4° |
| C3 | C4 | C5 | H41 | 125.3° | 120.4° |
| C3 | C4 | C5 | H42 | 125.3° | 120.3° |
| C3 | C4 | H41 | H42 | 117.0° | 119.3° |
| C3 | C4 | C5 | C6 | 65.8° | 66.8° |
| C3 | C4 | C5 | H51 | 59.5° | 172.1° |
| C3 | C4 | C5 | H52 | 168.9° | 54.3° |
| C4 | C3 | N9 | C10 | 145.4° | 163.5° |
| C4 | C3 | N9 | HN9 | 34.6° | 16.4° |
| N9 | C3 | C4 | C5 | 156.0° | 34.7° |
| N9 | C3 | C4 | H41 | 30.7° | 155.1° |
| N9 | C3 | C4 | H42 | 78.8° | 85.6° |
| C3 | N9 | C10 | HN9 | 180.0° | 179.9° |
| C3 | N9 | C10 | C12 | 180.0° | 179.9° |
| C3 | N9 | C10 | O11 | 0.2° | 0.0° |
| H3 | C3 | C4 | C5 | 36.1° | 155.2° |
| H3 | C3 | C4 | H41 | 89.2° | 84.5° |
| H3 | C3 | C4 | H42 | 161.3° | 34.8° |
| H3 | C3 | N9 | C10 | 25.3° | 43.1° |
| H3 | C3 | N9 | HN9 | 154.7° | 136.9° |
| C5 | C4 | H41 | H42 | 116.9° | 119.4° |
| C4 | C5 | C6 | H51 | 125.3° | 121.1° |
| C4 | C5 | C6 | H52 | 125.3° | 121.1° |
| C4 | C5 | H51 | H52 | 115.5° | 117.9° |
| C4 | C5 | C6 | C7 | 64.0° | 67.0° |
| C4 | C5 | C6 | O7 | 54.9° | 172.7° |
| C4 | C5 | C6 | H6 | 176.4° | 53.4° |
| H41 | C4 | C5 | C6 | 168.9° | 53.5° |
| H41 | C4 | C5 | H51 | 65.8° | 67.6° |
| H41 | C4 | C5 | H52 | 43.6° | 174.6° |
| H42 | C4 | C5 | C6 | 59.5° | 172.9° |
| H42 | C4 | C5 | H51 | 175.2° | 51.8° |
| H42 | C4 | C5 | H52 | 65.7° | 66.0° |
| C6 | C5 | H51 | H52 | 115.5° | 117.9° |
| C5 | C6 | C7 | O7 | 120.1° | 120.3° |
| C5 | C6 | C7 | H6 | 118.4° | 120.4° |
| C5 | C6 | O7 | H6 | 118.3° | 119.3° |
| C5 | C6 | C7 | N1 | 77.1° | 86.5° |
| C5 | C6 | C7 | H71 | 48.2° | 153.8° |
| C5 | C6 | C7 | H72 | 157.7° | 33.3° |
| C5 | C6 | O7 | HO7 | 180.0° | 180.0° |
| H51 | C5 | C6 | C7 | 61.3° | 171.9° |
| H51 | C5 | C6 | O7 | 179.8° | 51.6° |
| H51 | C5 | C6 | H6 | 58.3° | 67.7° |
| H52 | C5 | C6 | C7 | 170.7° | 54.1° |
| H52 | C5 | C6 | O7 | 70.4° | 66.2° |
| H52 | C5 | C6 | H6 | 51.1° | 174.5° |
| C7 | C6 | O7 | H6 | 119.6° | 119.3° |
| C6 | C7 | N1 | H71 | 125.2° | 119.7° |
| C6 | C7 | N1 | H72 | 125.2° | 119.7° |
| C6 | C7 | H71 | H72 | 116.7° | 120.4° |
| C6 | C7 | N1 | HN1 | 116.0° | 108.0° |
| C7 | C6 | O7 | HO7 | 58.0° | 58.7° |
| O7 | C6 | C7 | N1 | 43.1° | 153.2° |
| O7 | C6 | C7 | H71 | 168.3° | 33.5° |
| O7 | C6 | C7 | H72 | 82.2° | 87.1° |
| H6 | C6 | C7 | N1 | 164.6° | 33.9° |
| H6 | C6 | C7 | H71 | 70.1° | 85.8° |
| H6 | C6 | C7 | H72 | 39.3° | 153.7° |
| H6 | C6 | O7 | HO7 | 61.6° | 60.7° |
| N1 | C7 | H71 | H72 | 116.8° | 120.4° |
| H71 | C7 | N1 | HN1 | 118.7° | 11.7° |
| H72 | C7 | N1 | HN1 | 9.2° | 132.2° |
| N9 | C10 | C12 | O11 | 179.8° | 180.0° |
| N9 | C10 | C12 | O21 | 131.4° | 180.0° |
| N9 | C10 | C12 | C13 | 113.6° | 59.9° |
| N9 | C10 | C12 | H12 | 10.3° | 60.0° |
| HN9 | N9 | C10 | C12 | 0.1° | 0.0° |
| HN9 | N9 | C10 | O11 | 179.8° | 180.0° |
| C10 | C12 | O21 | C13 | 113.3° | 120.1° |
| C10 | C12 | O21 | H12 | 122.6° | 119.9° |
| C10 | C12 | C13 | H12 | 122.0° | 120.0° |
| C10 | C12 | O21 | C25 | 68.0° | 90.0° |
| C10 | C12 | C13 | O22 | 67.1° | 59.9° |
| C10 | C12 | C13 | C14 | 169.5° | 180.0° |
| C10 | C12 | C13 | H13 | 53.1° | 60.0° |
| O11 | C10 | C12 | O21 | 48.4° | 0.1° |
| O11 | C10 | C12 | C13 | 66.6° | 120.0° |
| O11 | C10 | C12 | H12 | 169.5° | 120.0° |
| O21 | C12 | C13 | H12 | 120.8° | 120.0° |
| C12 | O21 | C25 | H251 | 180.0° | 180.0° |
| C12 | O21 | C25 | H252 | 54.7° | 60.0° |
| C12 | O21 | C25 | H253 | 54.7° | 60.0° |
| O21 | C12 | C13 | O22 | 175.8° | 180.0° |
| O21 | C12 | C13 | C14 | 52.4° | 59.9° |
| O21 | C12 | C13 | H13 | 64.1° | 60.0° |
| C13 | C12 | O21 | C25 | 178.7° | 150.0° |
| C12 | C13 | O22 | C14 | 127.0° | 120.1° |
| C12 | C13 | O22 | H13 | 115.9° | 120.0° |
| C12 | C13 | C14 | H13 | 115.5° | 120.0° |
| C12 | C13 | O22 | H22 | 180.0° | 60.0° |
| C12 | C13 | C14 | O23 | 65.6° | 60.1° |
| C12 | C13 | C14 | C15 | 175.7° | 180.0° |
| C12 | C13 | C14 | H14 | 56.1° | 60.0° |
| H12 | C12 | O21 | C25 | 54.5° | 30.0° |
| H12 | C12 | C13 | O22 | 55.0° | 60.0° |
| H12 | C12 | C13 | C14 | 68.4° | 60.0° |
| H12 | C12 | C13 | H13 | 175.1° | 180.0° |
| O21 | C25 | H251 | H252 | 125.3° | 120.0° |
| O21 | C25 | H251 | H253 | 125.2° | 120.0° |
| O21 | C25 | H252 | H253 | 116.9° | 120.0° |
| H251 | C25 | H252 | H253 | 117.0° | 120.0° |
| O22 | C13 | C14 | H13 | 120.3° | 120.0° |
| O22 | C13 | C14 | O23 | 58.7° | 60.0° |
| O22 | C13 | C14 | C15 | 60.1° | 60.0° |
| O22 | C13 | C14 | H14 | 179.7° | 179.9° |
| C14 | C13 | O22 | H22 | 52.9° | 60.0° |
| C13 | C14 | O23 | C15 | 120.7° | 120.0° |
| C13 | C14 | O23 | H14 | 119.8° | 120.0° |
| C13 | C14 | C15 | H14 | 119.8° | 120.0° |
| C13 | C14 | O23 | H23 | 180.0° | 60.0° |
| C13 | C14 | C15 | O24 | 170.7° | 60.0° |
| C13 | C14 | C15 | C16 | 69.6° | 180.0° |
| C13 | C14 | C15 | H15 | 50.7° | 60.0° |
| H13 | C13 | O22 | H22 | 64.1° | 180.0° |
| H13 | C13 | C14 | O23 | 179.0° | 180.0° |
| H13 | C13 | C14 | C15 | 60.2° | 60.0° |
| H13 | C13 | C14 | H14 | 59.4° | 60.0° |
| O23 | C14 | C15 | H14 | 121.6° | 120.0° |
| O23 | C14 | C15 | O24 | 52.2° | 60.0° |
| O23 | C14 | C15 | C16 | 171.8° | 60.0° |
| O23 | C14 | C15 | H15 | 67.8° | 180.0° |
| C15 | C14 | O23 | H23 | 59.3° | 60.0° |
| C14 | C15 | O24 | C16 | 120.1° | 120.0° |
| C14 | C15 | O24 | H15 | 119.5° | 120.0° |
| C14 | C15 | C16 | H15 | 119.5° | 120.0° |
| C14 | C15 | O24 | H24 | 180.0° | 60.0° |
| C14 | C15 | C16 | C17 | 108.7° | 120.0° |
| C14 | C15 | C16 | H16 | 71.3° | 60.1° |
| H14 | C14 | O23 | H23 | 60.2° | 180.0° |
| H14 | C14 | C15 | O24 | 69.5° | 180.0° |
| H14 | C14 | C15 | C16 | 50.2° | 60.0° |
| H14 | C14 | C15 | H15 | 170.6° | 60.0° |
| O24 | C15 | C16 | H15 | 120.0° | 120.1° |
| O24 | C15 | C16 | C17 | 130.8° | 0.1° |
| O24 | C15 | C16 | H16 | 49.2° | 180.0° |
| C16 | C15 | O24 | H24 | 59.9° | 60.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.9° | 179.9° |
| C15 | C16 | C17 | H17 | 0.1° | 0.0° |
| H15 | C15 | O24 | H24 | 60.5° | 180.0° |
| H15 | C15 | C16 | C17 | 10.8° | 120.0° |
| H15 | C15 | C16 | H16 | 169.2° | 59.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C21 | 156.1° | 120.0° |
| C16 | C17 | C18 | C20 | 85.1° | 120.0° |
| C16 | C17 | C18 | C19 | 36.5° | 0.0° |
| H16 | C16 | C17 | C18 | 0.1° | 0.0° |
| H16 | C16 | C17 | H17 | 179.9° | 179.9° |
| C17 | C18 | C21 | C20 | 117.5° | 120.0° |
| C17 | C18 | C21 | C19 | 125.5° | 120.0° |
| C17 | C18 | C20 | C19 | 127.0° | 120.0° |
| C17 | C18 | C21 | H211 | 180.0° | 180.0° |
| C17 | C18 | C21 | H212 | 54.7° | 60.0° |
| C17 | C18 | C21 | H213 | 54.7° | 60.0° |
| C17 | C18 | C20 | H201 | 180.0° | 60.0° |
| C17 | C18 | C20 | H202 | 54.7° | 60.0° |
| C17 | C18 | C20 | H203 | 54.7° | 180.0° |
| C17 | C18 | C19 | H191 | 180.0° | 60.0° |
| C17 | C18 | C19 | H192 | 54.8° | 179.9° |
| C17 | C18 | C19 | H193 | 54.7° | 60.0° |
| H17 | C17 | C18 | C21 | 23.9° | 60.1° |
| H17 | C17 | C18 | C20 | 94.9° | 59.9° |
| H17 | C17 | C18 | C19 | 143.5° | 179.9° |
| C21 | C18 | C20 | C19 | 116.9° | 120.0° |
| C18 | C21 | H211 | H212 | 125.3° | 120.0° |
| C18 | C21 | H211 | H213 | 125.3° | 120.0° |
| C18 | C21 | H212 | H213 | 119.3° | 120.0° |
| C21 | C18 | C20 | H201 | 64.0° | 60.0° |
| C21 | C18 | C20 | H202 | 170.7° | 180.0° |
| C21 | C18 | C20 | H203 | 61.3° | 60.0° |
| C21 | C18 | C19 | H191 | 61.1° | 60.0° |
| C21 | C18 | C19 | H192 | 64.1° | 59.9° |
| C21 | C18 | C19 | H193 | 173.6° | 180.0° |
| C20 | C18 | C21 | H211 | 62.5° | 60.0° |
| C20 | C18 | C21 | H212 | 62.8° | 180.0° |
| C20 | C18 | C21 | H213 | 172.2° | 60.0° |
| C18 | C20 | H201 | H202 | 125.3° | 119.9° |
| C18 | C20 | H201 | H203 | 125.3° | 120.0° |
| C18 | C20 | H202 | H203 | 118.5° | 120.0° |
| C20 | C18 | C19 | H191 | 57.9° | 180.0° |
| C20 | C18 | C19 | H192 | 176.9° | 60.0° |
| C20 | C18 | C19 | H193 | 67.4° | 60.1° |
| C19 | C18 | C21 | H211 | 54.5° | 60.0° |
| C19 | C18 | C21 | H212 | 179.8° | 60.0° |
| C19 | C18 | C21 | H213 | 70.7° | 180.0° |
| C19 | C18 | C20 | H201 | 53.0° | 180.0° |
| C19 | C18 | C20 | H202 | 72.3° | 60.0° |
| C19 | C18 | C20 | H203 | 178.2° | 60.0° |
| C18 | C19 | H191 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H193 | 125.3° | 120.0° |
| C18 | C19 | H192 | H193 | 115.4° | 120.1° |
| H211 | C21 | H212 | H213 | 119.4° | 120.0° |
| H201 | C20 | H202 | H203 | 118.5° | 120.0° |
| H191 | C19 | H192 | H193 | 115.4° | 120.0° |
