3P4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.37Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.47Å | 1.50Å | Aromatic |
| C1 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C2 | N2 | doub | 1.35Å | 1.38Å | Aromatic |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | N3 | sing | 1.31Å | 1.29Å | Aromatic |
| C3 | C5 | sing | 1.47Å | 1.47Å | Aromatic |
| N1 | C6 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.30Å | Aromatic |
| N2 | C7 | sing | 1.47Å | 1.48Å | |
| C4 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | H4C1 | sing | 1.09Å | 1.11Å | |
| C4 | H4C2 | sing | 1.09Å | 1.12Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C5 | N4 | sing | 1.35Å | 1.37Å | Aromatic |
| C5 | O1 | doub | 1.22Å | 1.21Å | |
| C6 | N4 | sing | 1.37Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.48Å | 1.46Å | Aromatic |
| C7 | C10 | sing | 1.54Å | 1.57Å | |
| C7 | C11 | sing | 1.54Å | 1.57Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | H8C1 | sing | 1.09Å | 1.11Å | |
| C8 | H8C2 | sing | 1.09Å | 1.11Å | |
| C8 | H8C3 | sing | 1.09Å | 1.12Å | |
| N4 | H4 | sing | 0.97Å | 1.02Å | |
| C9 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C9 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | N5 | sing | 1.48Å | 1.49Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | N5 | sing | 1.47Å | 1.48Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | N6 | sing | 1.32Å | 1.37Å | Aromatic |
| C12 | O2 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| N5 | C15 | sing | 1.47Å | 1.49Å | |
| N6 | C16 | doub | 1.32Å | 1.36Å | Aromatic |
| O2 | C17 | sing | 1.43Å | 1.45Å | |
| C14 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C20 | sing | 1.48Å | 1.72Å | |
| C15 | C18 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C19 | sing | 1.53Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C20 | O3 | sing | 1.36Å | 1.39Å | |
| C20 | C23 | doub | 1.33Å | 1.46Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C19 | C21 | sing | 1.51Å | 1.40Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| O3 | HA | sing | 0.97Å | 0.95Å | |
| C21 | C22 | doub | 1.31Å | 1.39Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.10Å | |
| C22 | H222 | sing | 1.08Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.10Å | |
| C23 | H232 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 104.1° | 104.4° |
| C2 | C1 | N1 | 136.2° | 136.8° |
| C1 | C2 | N2 | 106.3° | 106.9° |
| C1 | C2 | C4 | 125.7° | 126.6° |
| C3 | C1 | N1 | 119.8° | 118.8° |
| C1 | C3 | N3 | 107.1° | 106.3° |
| C1 | C3 | C5 | 116.6° | 117.3° |
| C1 | N1 | C6 | 120.1° | 121.3° |
| N2 | C2 | C4 | 128.0° | 126.5° |
| C2 | N2 | N3 | 111.6° | 111.8° |
| C2 | N2 | C7 | 125.6° | 124.1° |
| C2 | C4 | C8 | 111.3° | 109.5° |
| C2 | C4 | H4C1 | 111.5° | 109.5° |
| C2 | C4 | H4C2 | 111.6° | 109.5° |
| N3 | C3 | C5 | 136.3° | 136.4° |
| C3 | N3 | N2 | 111.0° | 110.7° |
| C3 | N3 | H3 | 124.5° | 124.6° |
| C3 | C5 | N4 | 117.7° | 117.5° |
| C3 | C5 | O1 | 121.1° | 121.2° |
| N1 | C6 | N4 | 123.0° | 123.7° |
| N1 | C6 | C9 | 121.1° | 118.1° |
| N3 | N2 | C7 | 122.8° | 124.1° |
| N2 | N3 | H3 | 124.5° | 124.7° |
| N2 | C7 | C10 | 110.1° | 114.2° |
| N2 | C7 | C11 | 112.1° | 114.1° |
| N2 | C7 | H7 | 116.0° | 113.3° |
| C8 | C4 | H4C1 | 111.5° | 109.4° |
| C8 | C4 | H4C2 | 111.5° | 109.4° |
| C4 | C8 | H8C1 | 111.3° | 109.4° |
| C4 | C8 | H8C2 | 111.5° | 109.5° |
| C4 | C8 | H8C3 | 111.5° | 109.4° |
| H4C1 | C4 | H4C2 | 98.8° | 109.5° |
| N4 | C5 | O1 | 121.2° | 121.3° |
| C5 | N4 | C6 | 122.8° | 121.4° |
| C5 | N4 | H4 | 118.6° | 119.3° |
| N4 | C6 | C9 | 115.9° | 118.1° |
| C6 | N4 | H4 | 118.6° | 119.3° |
| C6 | C9 | C12 | 123.2° | 120.6° |
| C6 | C9 | C13 | 118.5° | 120.5° |
| C10 | C7 | C11 | 82.1° | 83.6° |
| C10 | C7 | H7 | 116.0° | 114.2° |
| C7 | C10 | N5 | 93.6° | 87.9° |
| C7 | C10 | H101 | 118.5° | 113.5° |
| C7 | C10 | H102 | 118.5° | 113.5° |
| C11 | C7 | H7 | 116.0° | 114.2° |
| C7 | C11 | N5 | 94.2° | 87.9° |
| C7 | C11 | H111 | 118.2° | 113.5° |
| C7 | C11 | H112 | 118.2° | 113.4° |
| H8C1 | C8 | H8C2 | 111.5° | 109.5° |
| H8C1 | C8 | H8C3 | 111.6° | 109.5° |
| H8C2 | C8 | H8C3 | 98.8° | 109.5° |
| C12 | C9 | C13 | 118.3° | 118.9° |
| C9 | C12 | N6 | 119.4° | 120.7° |
| C9 | C12 | O2 | 119.5° | 119.6° |
| C9 | C13 | C14 | 120.2° | 118.2° |
| C9 | C13 | H13 | 119.9° | 120.9° |
| N5 | C10 | H101 | 118.5° | 113.4° |
| N5 | C10 | H102 | 118.5° | 113.4° |
| C10 | N5 | C11 | 87.8° | 87.8° |
| C10 | N5 | C15 | 115.0° | 106.7° |
| H101 | C10 | H102 | 91.7° | 112.8° |
| N5 | C11 | H111 | 118.2° | 113.5° |
| N5 | C11 | H112 | 118.2° | 113.5° |
| C11 | N5 | C15 | 113.7° | 106.7° |
| H111 | C11 | H112 | 92.0° | 112.8° |
| N6 | C12 | O2 | 121.2° | 119.6° |
| C12 | N6 | C16 | 122.9° | 121.9° |
| C12 | O2 | C17 | 121.7° | 106.8° |
| C14 | C13 | H13 | 119.9° | 120.9° |
| C13 | C14 | C16 | 119.6° | 119.2° |
| C13 | C14 | C20 | 118.9° | 120.4° |
| N5 | C15 | C18 | 112.5° | 109.5° |
| N5 | C15 | H151 | 111.1° | 109.5° |
| N5 | C15 | H152 | 111.1° | 109.5° |
| N6 | C16 | C14 | 119.5° | 121.0° |
| N6 | C16 | H16 | 120.3° | 119.5° |
| O2 | C17 | C19 | 107.6° | 109.5° |
| O2 | C17 | H171 | 112.9° | 109.5° |
| O2 | C17 | H172 | 112.9° | 109.5° |
| C16 | C14 | C20 | 121.4° | 120.4° |
| C14 | C16 | H16 | 120.2° | 119.5° |
| C14 | C20 | O3 | 107.8° | 120.0° |
| C14 | C20 | C23 | 131.5° | 120.0° |
| C18 | C15 | H151 | 111.1° | 109.5° |
| C18 | C15 | H152 | 111.1° | 109.5° |
| C15 | C18 | H181 | 112.5° | 109.4° |
| C15 | C18 | H182 | 111.1° | 109.5° |
| C15 | C18 | H183 | 111.1° | 109.4° |
| H151 | C15 | H152 | 99.2° | 109.5° |
| C19 | C17 | H171 | 112.9° | 109.4° |
| C19 | C17 | H172 | 112.9° | 109.4° |
| C17 | C19 | C21 | 117.9° | 109.5° |
| C17 | C19 | H191 | 109.1° | 109.5° |
| C17 | C19 | H192 | 109.1° | 109.4° |
| H171 | C17 | H172 | 97.6° | 109.5° |
| O3 | C20 | C23 | 120.7° | 120.0° |
| C20 | O3 | HA | 107.8° | 106.8° |
| C20 | C23 | H231 | 131.5° | 120.0° |
| C20 | C23 | H232 | 120.7° | 120.0° |
| H181 | C18 | H182 | 111.1° | 109.5° |
| H181 | C18 | H183 | 111.1° | 109.5° |
| H182 | C18 | H183 | 99.2° | 109.5° |
| C21 | C19 | H191 | 109.2° | 109.5° |
| C21 | C19 | H192 | 109.2° | 109.5° |
| C19 | C21 | C22 | 120.4° | 120.0° |
| C19 | C21 | H21 | 119.8° | 120.0° |
| H191 | C19 | H192 | 100.9° | 109.5° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C21 | C22 | H221 | 120.4° | 120.0° |
| C21 | C22 | H222 | 119.8° | 120.0° |
| H221 | C22 | H222 | 119.8° | 120.0° |
| H231 | C23 | H232 | 107.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | N1 | 179.8° | 179.9° |
| C1 | C2 | N2 | C4 | 180.0° | 179.9° |
| C2 | C1 | C3 | N3 | 0.1° | 0.2° |
| C2 | C1 | C3 | C5 | 179.9° | 179.7° |
| C2 | C1 | N1 | C6 | 179.7° | 179.7° |
| C1 | C2 | N2 | N3 | 0.1° | 0.4° |
| C1 | C2 | N2 | C7 | 179.9° | 179.8° |
| C1 | C2 | C4 | C8 | 81.8° | 90.0° |
| C1 | C2 | C4 | H4C1 | 43.4° | 29.9° |
| C1 | C2 | C4 | H4C2 | 152.9° | 150.0° |
| C3 | C1 | C2 | N2 | 0.0° | 0.4° |
| C3 | C1 | C2 | C4 | 180.0° | 179.8° |
| C1 | C3 | N3 | C5 | 180.0° | 179.9° |
| C3 | C1 | N1 | C6 | 0.0° | 0.2° |
| C1 | C3 | N3 | N2 | 0.1° | 0.1° |
| C1 | C3 | N3 | H3 | 179.9° | 180.0° |
| C1 | C3 | C5 | N4 | 0.1° | 0.1° |
| C1 | C3 | C5 | O1 | 179.9° | 179.9° |
| N1 | C1 | C2 | N2 | 179.7° | 179.8° |
| N1 | C1 | C2 | C4 | 0.3° | 0.1° |
| N1 | C1 | C3 | N3 | 179.9° | 179.9° |
| N1 | C1 | C3 | C5 | 0.1° | 0.1° |
| C1 | N1 | C6 | N4 | 0.0° | 0.1° |
| C1 | N1 | C6 | C9 | 178.7° | 179.9° |
| C2 | N2 | N3 | C3 | 0.1° | 0.3° |
| C2 | N2 | N3 | C7 | 180.0° | 179.7° |
| N2 | C2 | C4 | C8 | 98.2° | 89.8° |
| N2 | C2 | C4 | H4C1 | 136.5° | 150.2° |
| N2 | C2 | C4 | H4C2 | 27.1° | 30.2° |
| C2 | N2 | N3 | H3 | 179.9° | 179.7° |
| C2 | N2 | C7 | C10 | 91.4° | 146.4° |
| C2 | N2 | C7 | C11 | 179.1° | 119.7° |
| C2 | N2 | C7 | H7 | 42.7° | 13.4° |
| C4 | C2 | N2 | N3 | 179.9° | 179.7° |
| C4 | C2 | N2 | C7 | 0.1° | 0.0° |
| C2 | C4 | C8 | H4C1 | 125.3° | 120.0° |
| C2 | C4 | C8 | H4C2 | 125.3° | 120.0° |
| C2 | C4 | H4C1 | H4C2 | 117.5° | 120.1° |
| C2 | C4 | C8 | H8C1 | 180.0° | 60.0° |
| C2 | C4 | C8 | H8C2 | 54.7° | 179.9° |
| C2 | C4 | C8 | H8C3 | 54.7° | 60.0° |
| C3 | N3 | N2 | H3 | 180.0° | 180.0° |
| C3 | N3 | N2 | C7 | 179.9° | 179.9° |
| N3 | C3 | C5 | N4 | 179.8° | 180.0° |
| N3 | C3 | C5 | O1 | 0.1° | 0.0° |
| C5 | C3 | N3 | N2 | 179.8° | 180.0° |
| C5 | C3 | N3 | H3 | 0.1° | 0.1° |
| C3 | C5 | N4 | O1 | 179.7° | 180.0° |
| C3 | C5 | N4 | C6 | 0.1° | 0.0° |
| C3 | C5 | N4 | H4 | 179.9° | 180.0° |
| N1 | C6 | N4 | C5 | 0.1° | 0.0° |
| N1 | C6 | N4 | C9 | 178.7° | 179.9° |
| N1 | C6 | N4 | H4 | 179.9° | 179.9° |
| N1 | C6 | C9 | C12 | 127.6° | 39.7° |
| N1 | C6 | C9 | C13 | 53.2° | 140.1° |
| N3 | N2 | C7 | C10 | 88.6° | 33.9° |
| N3 | N2 | C7 | C11 | 0.9° | 60.0° |
| N3 | N2 | C7 | H7 | 137.3° | 166.9° |
| C7 | N2 | N3 | H3 | 0.1° | 0.0° |
| N2 | C7 | C10 | C11 | 110.7° | 113.6° |
| N2 | C7 | C10 | H7 | 134.2° | 132.7° |
| N2 | C7 | C11 | H7 | 136.4° | 132.7° |
| N2 | C7 | C10 | N5 | 99.5° | 87.6° |
| N2 | C7 | C10 | H101 | 25.8° | 157.6° |
| N2 | C7 | C10 | H102 | 135.2° | 27.1° |
| N2 | C7 | C11 | N5 | 97.2° | 87.6° |
| N2 | C7 | C11 | H111 | 137.6° | 27.2° |
| N2 | C7 | C11 | H112 | 28.1° | 157.6° |
| C8 | C4 | H4C1 | H4C2 | 117.4° | 119.9° |
| C4 | C8 | H8C1 | H8C2 | 125.2° | 120.0° |
| C4 | C8 | H8C1 | H8C3 | 125.3° | 119.9° |
| C4 | C8 | H8C2 | H8C3 | 117.4° | 120.0° |
| H4C1 | C4 | C8 | H8C1 | 54.8° | 60.0° |
| H4C1 | C4 | C8 | H8C2 | 180.0° | 60.0° |
| H4C1 | C4 | C8 | H8C3 | 70.5° | 180.0° |
| H4C2 | C4 | C8 | H8C1 | 54.7° | 180.0° |
| H4C2 | C4 | C8 | H8C2 | 70.5° | 60.0° |
| H4C2 | C4 | C8 | H8C3 | 180.0° | 60.0° |
| C5 | N4 | C6 | H4 | 180.0° | 180.0° |
| C5 | N4 | C6 | C9 | 178.8° | 180.0° |
| O1 | C5 | N4 | C6 | 179.9° | 180.0° |
| O1 | C5 | N4 | H4 | 0.1° | 0.0° |
| N4 | C6 | C9 | C12 | 53.7° | 140.3° |
| N4 | C6 | C9 | C13 | 125.6° | 40.0° |
| C9 | C6 | N4 | H4 | 1.2° | 0.0° |
| C6 | C9 | C12 | C13 | 179.3° | 179.8° |
| C6 | C9 | C12 | N6 | 179.2° | 179.7° |
| C6 | C9 | C12 | O2 | 0.8° | 0.3° |
| C6 | C9 | C13 | C14 | 179.3° | 180.0° |
| C6 | C9 | C13 | H13 | 0.8° | 0.0° |
| C10 | C7 | C11 | H7 | 115.1° | 113.7° |
| C7 | C10 | N5 | H101 | 125.3° | 114.7° |
| C7 | C10 | N5 | H102 | 125.3° | 114.8° |
| C7 | C10 | H101 | H102 | 124.0° | 130.9° |
| C10 | C7 | C11 | N5 | 11.3° | 26.0° |
| C10 | C7 | C11 | H111 | 113.9° | 140.8° |
| C10 | C7 | C11 | H112 | 136.6° | 88.8° |
| C7 | C10 | N5 | C15 | 126.9° | 133.8° |
| C11 | C7 | C10 | H101 | 136.5° | 88.7° |
| C11 | C7 | C10 | H102 | 114.1° | 140.7° |
| C7 | C11 | N5 | H111 | 125.3° | 114.8° |
| C7 | C11 | N5 | H112 | 125.3° | 114.7° |
| C7 | C11 | H111 | H112 | 123.8° | 130.8° |
| C7 | C11 | N5 | C15 | 128.2° | 133.8° |
| H7 | C7 | C10 | N5 | 126.4° | 139.7° |
| H7 | C7 | C10 | H101 | 108.4° | 25.0° |
| H7 | C7 | C10 | H102 | 1.1° | 105.6° |
| H7 | C7 | C11 | N5 | 126.4° | 139.7° |
| H7 | C7 | C11 | H111 | 1.2° | 105.5° |
| H7 | C7 | C11 | H112 | 108.3° | 24.9° |
| H8C1 | C8 | H8C2 | H8C3 | 117.5° | 120.0° |
| C9 | C12 | N6 | O2 | 179.9° | 179.4° |
| C12 | C9 | C13 | C14 | 0.0° | 0.2° |
| C12 | C9 | C13 | H13 | 179.9° | 179.8° |
| C9 | C12 | N6 | C16 | 0.1° | 0.6° |
| C9 | C12 | O2 | C17 | 172.3° | 179.5° |
| C13 | C9 | C12 | N6 | 0.0° | 0.5° |
| C13 | C9 | C12 | O2 | 179.9° | 179.9° |
| C9 | C13 | C14 | H13 | 180.0° | 180.0° |
| C9 | C13 | C14 | C16 | 0.1° | 0.0° |
| C9 | C13 | C14 | C20 | 179.7° | 180.0° |
| N5 | C10 | H101 | H102 | 124.0° | 130.8° |
| C10 | N5 | C11 | C15 | 116.4° | 106.8° |
| C10 | N5 | C11 | H111 | 113.4° | 141.8° |
| C10 | N5 | C11 | H112 | 137.1° | 87.7° |
| C10 | N5 | C15 | C18 | 81.2° | 97.2° |
| C10 | N5 | C15 | H151 | 44.1° | 142.8° |
| C10 | N5 | C15 | H152 | 153.5° | 22.8° |
| H101 | C10 | N5 | C11 | 137.0° | 87.8° |
| H101 | C10 | N5 | C15 | 107.8° | 19.0° |
| H102 | C10 | N5 | C11 | 113.5° | 141.7° |
| H102 | C10 | N5 | C15 | 1.6° | 111.5° |
| N5 | C11 | H111 | H112 | 123.8° | 130.8° |
| C11 | N5 | C15 | C18 | 179.8° | 170.0° |
| C11 | N5 | C15 | H151 | 55.0° | 50.0° |
| C11 | N5 | C15 | H152 | 54.5° | 70.0° |
| H111 | C11 | N5 | C15 | 3.0° | 111.4° |
| H112 | C11 | N5 | C15 | 106.5° | 19.0° |
| N6 | C12 | O2 | C17 | 7.7° | 0.0° |
| C12 | N6 | C16 | C14 | 0.2° | 0.3° |
| C12 | N6 | C16 | H16 | 179.8° | 179.8° |
| O2 | C12 | N6 | C16 | 180.0° | 180.0° |
| C12 | O2 | C17 | C19 | 178.5° | 180.0° |
| C12 | O2 | C17 | H171 | 53.2° | 60.1° |
| C12 | O2 | C17 | H172 | 56.3° | 60.0° |
| C13 | C14 | C16 | N6 | 0.2° | 0.0° |
| C13 | C14 | C16 | C20 | 179.6° | 179.9° |
| C13 | C14 | C16 | H16 | 179.8° | 179.9° |
| C13 | C14 | C20 | O3 | 153.0° | 0.1° |
| C13 | C14 | C20 | C23 | 26.2° | 180.0° |
| H13 | C13 | C14 | C16 | 180.0° | 180.0° |
| H13 | C13 | C14 | C20 | 0.4° | 0.1° |
| N5 | C15 | C18 | H151 | 125.3° | 120.0° |
| N5 | C15 | C18 | H152 | 125.3° | 120.0° |
| N5 | C15 | H151 | H152 | 117.0° | 120.0° |
| N5 | C15 | C18 | H181 | 180.0° | 60.0° |
| N5 | C15 | C18 | H182 | 54.7° | 60.0° |
| N5 | C15 | C18 | H183 | 54.7° | 180.0° |
| N6 | C16 | C14 | H16 | 180.0° | 179.9° |
| N6 | C16 | C14 | C20 | 179.8° | 179.9° |
| O2 | C17 | C19 | H171 | 125.3° | 120.0° |
| O2 | C17 | C19 | H172 | 125.2° | 120.0° |
| O2 | C17 | H171 | H172 | 118.8° | 120.1° |
| O2 | C17 | C19 | C21 | 63.4° | 180.0° |
| O2 | C17 | C19 | H191 | 171.3° | 60.0° |
| O2 | C17 | C19 | H192 | 61.9° | 60.0° |
| C16 | C14 | C20 | O3 | 26.6° | 180.0° |
| C16 | C14 | C20 | C23 | 154.2° | 0.1° |
| C20 | C14 | C16 | H16 | 0.2° | 0.0° |
| C14 | C20 | O3 | C23 | 179.3° | 179.9° |
| C14 | C20 | O3 | HA | 180.0° | 180.0° |
| C14 | C20 | C23 | H231 | 180.0° | 0.1° |
| C14 | C20 | C23 | H232 | 0.9° | 180.0° |
| C18 | C15 | H151 | H152 | 117.0° | 120.0° |
| C15 | C18 | H181 | H182 | 125.2° | 120.0° |
| C15 | C18 | H181 | H183 | 125.3° | 119.9° |
| C15 | C18 | H182 | H183 | 117.0° | 120.0° |
| H151 | C15 | C18 | H181 | 54.7° | 60.0° |
| H151 | C15 | C18 | H182 | 180.0° | NaN° |
| H151 | C15 | C18 | H183 | 70.6° | 60.0° |
| H152 | C15 | C18 | H181 | 54.7° | 180.0° |
| H152 | C15 | C18 | H182 | 70.6° | 60.0° |
| H152 | C15 | C18 | H183 | 180.0° | 60.0° |
| C19 | C17 | H171 | H172 | 118.8° | 120.0° |
| C17 | C19 | C21 | H191 | 125.3° | 120.0° |
| C17 | C19 | C21 | H192 | 125.3° | 120.0° |
| C17 | C19 | H191 | H192 | 114.9° | 120.0° |
| C17 | C19 | C21 | C22 | 179.6° | 125.0° |
| C17 | C19 | C21 | H21 | 0.5° | 54.9° |
| H171 | C17 | C19 | C21 | 61.8° | 60.0° |
| H171 | C17 | C19 | H191 | 63.4° | 180.0° |
| H171 | C17 | C19 | H192 | 172.9° | 60.0° |
| H172 | C17 | C19 | C21 | 171.4° | 60.1° |
| H172 | C17 | C19 | H191 | 46.1° | 60.0° |
| H172 | C17 | C19 | H192 | 63.4° | 180.0° |
| O3 | C20 | C23 | H231 | 0.9° | 180.0° |
| O3 | C20 | C23 | H232 | 180.0° | 0.1° |
| C23 | C20 | O3 | HA | 0.7° | 0.0° |
| C20 | C23 | H231 | H232 | 179.2° | 180.0° |
| H181 | C18 | H182 | H183 | 117.0° | 120.1° |
| C21 | C19 | H191 | H192 | 114.9° | 120.0° |
| C19 | C21 | C22 | H21 | 180.0° | 179.9° |
| C19 | C21 | C22 | H221 | 180.0° | 0.0° |
| C19 | C21 | C22 | H222 | 0.0° | 180.0° |
| H191 | C19 | C21 | C22 | 54.3° | 5.0° |
| H191 | C19 | C21 | H21 | 125.7° | 175.0° |
| H192 | C19 | C21 | C22 | 55.2° | 115.0° |
| H192 | C19 | C21 | H21 | 124.8° | 65.0° |
| C21 | C22 | H221 | H222 | 180.0° | 180.0° |
| H21 | C21 | C22 | H221 | 0.0° | 180.0° |
| H21 | C21 | C22 | H222 | 180.0° | 0.1° |
