A1C0H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | doub | 1.33Å | 1.36Å | Aromatic |
| C01 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C01 | C18 | sing | 1.48Å | 1.49Å | |
| N02 | C03 | sing | 1.32Å | 1.36Å | Aromatic |
| C03 | N04 | doub | 1.32Å | 1.35Å | Aromatic |
| C03 | N07 | sing | 1.39Å | 1.40Å | |
| N04 | C05 | sing | 1.33Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C08 | sing | 1.52Å | 1.50Å | |
| C06 | C10 | sing | 1.51Å | 1.52Å | |
| N07 | C20 | sing | 1.48Å | 1.46Å | |
| N07 | C22 | sing | 1.48Å | 1.46Å | |
| C08 | C09 | sing | 1.54Å | 1.53Å | |
| C08 | F11 | sing | 1.40Å | 1.33Å | |
| C08 | F12 | sing | 1.40Å | 1.33Å | |
| C09 | C10 | sing | 1.54Å | 1.53Å | |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C13 | C27 | sing | 1.53Å | 1.56Å | |
| C13 | C29 | sing | 1.53Å | 1.56Å | |
| C13 | N30 | sing | 1.47Å | 1.46Å | |
| C14 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.54Å | 1.53Å | |
| C20 | C24 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.54Å | 1.52Å | |
| F23 | C24 | sing | 1.40Å | 1.33Å | |
| C24 | F25 | sing | 1.40Å | 1.34Å | |
| C24 | F26 | sing | 1.40Å | 1.34Å | |
| C27 | S28 | sing | 1.81Å | 1.86Å | |
| S28 | C29 | sing | 1.81Å | 1.85Å | |
| S28 | O31 | doub | 1.42Å | 1.47Å | |
| S28 | O32 | doub | 1.42Å | 1.47Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| N30 | H1 | sing | 1.01Å | 1.00Å | |
| N30 | H301 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C01 | C06 | 120.4° | 118.9° |
| N02 | C01 | C18 | 114.7° | 120.6° |
| C01 | N02 | C03 | 118.4° | 120.6° |
| C06 | C01 | C18 | 124.8° | 120.5° |
| C01 | C06 | C05 | 116.2° | 118.6° |
| C01 | C06 | C10 | 134.4° | 131.5° |
| C01 | C18 | C17 | 120.3° | 120.2° |
| C01 | C18 | C19 | 121.2° | 120.1° |
| N02 | C03 | N04 | 125.2° | 121.8° |
| N02 | C03 | N07 | 117.4° | 119.1° |
| N04 | C03 | N07 | 117.3° | 119.1° |
| C03 | N04 | C05 | 115.0° | 121.0° |
| C03 | N07 | C20 | 129.2° | 111.0° |
| C03 | N07 | C22 | 130.0° | 110.9° |
| N04 | C05 | C06 | 124.7° | 119.1° |
| N04 | C05 | C08 | 124.8° | 131.2° |
| C06 | C05 | C08 | 110.4° | 109.7° |
| C05 | C06 | C10 | 109.4° | 109.9° |
| C05 | C08 | C09 | 103.0° | 105.1° |
| C05 | C08 | F11 | 109.5° | 110.3° |
| C05 | C08 | F12 | 114.9° | 110.3° |
| C06 | C10 | C09 | 102.8° | 105.2° |
| C06 | C10 | H101 | 111.1° | 110.3° |
| C06 | C10 | H102 | 111.1° | 110.3° |
| C20 | N07 | C22 | 90.8° | 90.8° |
| N07 | C20 | C21 | 90.3° | 86.2° |
| N07 | C20 | C24 | 115.6° | 113.7° |
| N07 | C20 | H201 | 111.9° | 113.9° |
| N07 | C22 | C21 | 90.5° | 86.2° |
| N07 | C22 | H221 | 114.0° | 113.8° |
| N07 | C22 | H222 | 114.0° | 113.9° |
| C09 | C08 | F11 | 109.1° | 110.4° |
| C09 | C08 | F12 | 110.4° | 110.3° |
| C08 | C09 | C10 | 104.5° | 102.4° |
| C08 | C09 | H091 | 110.7° | 110.8° |
| C08 | C09 | H092 | 110.7° | 110.8° |
| F11 | C08 | F12 | 109.7° | 110.3° |
| C09 | C10 | H101 | 111.1° | 110.3° |
| C09 | C10 | H102 | 111.1° | 110.3° |
| C10 | C09 | H091 | 110.7° | 110.8° |
| C10 | C09 | H092 | 110.7° | 110.8° |
| C15 | C13 | C27 | 118.6° | 113.2° |
| C15 | C13 | C29 | 117.3° | 113.2° |
| C15 | C13 | N30 | 105.2° | 112.5° |
| C13 | C15 | C14 | 120.6° | 119.9° |
| C13 | C15 | C16 | 119.7° | 119.9° |
| C27 | C13 | C29 | 95.1° | 89.9° |
| C27 | C13 | N30 | 110.0° | 113.1° |
| C13 | C27 | S28 | 91.2° | 89.9° |
| C13 | C27 | H271 | 113.8° | 113.2° |
| C13 | C27 | H272 | 113.8° | 113.1° |
| C29 | C13 | N30 | 110.4° | 113.2° |
| C13 | C29 | S28 | 91.3° | 89.9° |
| C13 | C29 | H291 | 113.8° | 113.1° |
| C13 | C29 | H292 | 113.8° | 113.1° |
| C13 | N30 | H1 | 109.5° | 110.9° |
| C13 | N30 | H301 | 109.5° | 111.0° |
| C19 | C14 | C15 | 120.3° | 120.1° |
| C14 | C19 | C18 | 120.4° | 119.9° |
| C19 | C14 | H141 | 119.9° | 119.9° |
| C14 | C19 | H191 | 119.8° | 120.0° |
| C14 | C15 | C16 | 119.7° | 120.2° |
| C15 | C14 | H141 | 119.8° | 120.0° |
| C15 | C16 | C17 | 119.7° | 120.2° |
| C15 | C16 | H161 | 120.1° | 119.9° |
| C16 | C17 | C18 | 121.4° | 119.9° |
| C16 | C17 | H171 | 119.3° | 120.1° |
| C17 | C16 | H161 | 120.2° | 119.9° |
| C17 | C18 | C19 | 118.5° | 119.8° |
| C18 | C17 | H171 | 119.3° | 120.0° |
| C18 | C19 | H191 | 119.8° | 120.1° |
| C21 | C20 | C24 | 116.0° | 113.8° |
| C20 | C21 | C22 | 86.1° | 86.3° |
| C21 | C20 | H201 | 110.9° | 113.8° |
| C20 | C21 | H211 | 114.9° | 113.8° |
| C20 | C21 | H212 | 114.9° | 113.7° |
| C20 | C24 | F23 | 109.1° | 109.5° |
| C20 | C24 | F25 | 112.1° | 109.5° |
| C20 | C24 | F26 | 112.6° | 109.5° |
| C24 | C20 | H201 | 110.7° | 112.9° |
| C22 | C21 | H211 | 114.9° | 113.7° |
| C22 | C21 | H212 | 114.9° | 113.7° |
| C21 | C22 | H221 | 114.0° | 113.7° |
| C21 | C22 | H222 | 114.0° | 113.8° |
| F23 | C24 | F25 | 108.0° | 109.4° |
| F23 | C24 | F26 | 106.8° | 109.5° |
| F25 | C24 | F26 | 108.0° | 109.5° |
| C27 | S28 | C29 | 76.7° | 73.1° |
| C27 | S28 | O31 | 113.1° | 112.8° |
| C27 | S28 | O32 | 112.2° | 112.7° |
| S28 | C27 | H271 | 113.8° | 113.1° |
| S28 | C27 | H272 | 113.8° | 113.1° |
| C29 | S28 | O31 | 113.8° | 112.7° |
| C29 | S28 | O32 | 112.0° | 112.7° |
| S28 | C29 | H291 | 113.8° | 113.2° |
| S28 | C29 | H292 | 113.8° | 113.2° |
| O31 | S28 | O32 | 120.8° | 122.4° |
| H101 | C10 | H102 | 109.4° | 110.3° |
| H211 | C21 | H212 | 109.5° | 113.0° |
| H221 | C22 | H222 | 109.5° | 113.0° |
| H091 | C09 | H092 | 109.5° | 110.9° |
| H271 | C27 | H272 | 109.5° | 112.5° |
| H291 | C29 | H292 | 109.5° | 112.5° |
| H1 | N30 | H301 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C01 | C06 | C18 | 178.7° | 180.0° |
| C01 | N02 | C03 | N04 | 0.1° | 0.0° |
| C01 | N02 | C03 | N07 | 179.7° | 180.0° |
| N02 | C01 | C06 | C05 | 0.7° | 0.0° |
| N02 | C01 | C06 | C10 | 179.8° | 180.0° |
| N02 | C01 | C18 | C17 | 141.9° | 138.0° |
| N02 | C01 | C18 | C19 | 36.0° | 41.9° |
| C06 | C01 | N02 | C03 | 0.3° | 0.0° |
| C01 | C06 | C05 | N04 | 0.7° | 0.0° |
| C01 | C06 | C05 | C10 | 179.3° | 180.0° |
| C01 | C06 | C05 | C08 | 179.9° | 180.0° |
| C01 | C06 | C10 | C09 | 160.8° | 162.9° |
| C06 | C01 | C18 | C17 | 36.9° | 42.0° |
| C06 | C01 | C18 | C19 | 145.2° | 138.1° |
| C01 | C06 | C10 | H101 | 41.8° | 78.1° |
| C01 | C06 | C10 | H102 | 80.3° | 43.9° |
| C18 | C01 | N02 | C03 | 179.2° | 180.0° |
| C18 | C01 | C06 | C05 | 179.4° | 180.0° |
| C18 | C01 | C06 | C10 | 1.5° | 0.1° |
| C01 | C18 | C19 | C14 | 179.1° | 179.8° |
| C01 | C18 | C17 | C16 | 179.3° | 179.8° |
| C01 | C18 | C17 | C19 | 178.0° | 179.9° |
| C01 | C18 | C17 | H171 | 0.7° | 0.1° |
| C01 | C18 | C19 | H191 | 0.9° | 0.2° |
| N02 | C03 | N04 | N07 | 179.8° | 180.0° |
| N02 | C03 | N04 | C05 | 0.1° | 0.0° |
| N02 | C03 | N07 | C20 | 10.3° | 0.1° |
| N02 | C03 | N07 | C22 | 145.2° | 99.4° |
| C03 | N04 | C05 | C06 | 0.4° | 0.0° |
| C03 | N04 | C05 | C08 | 179.4° | 179.9° |
| N04 | C03 | N07 | C20 | 169.5° | 180.0° |
| N04 | C03 | N07 | C22 | 34.6° | 80.7° |
| N07 | C03 | N04 | C05 | 179.7° | 180.0° |
| C03 | N07 | C20 | C22 | 147.1° | 112.8° |
| C03 | N07 | C20 | C21 | 158.9° | 137.6° |
| C03 | N07 | C20 | C24 | 81.8° | 108.1° |
| C03 | N07 | C22 | C21 | 158.5° | 137.5° |
| C03 | N07 | C20 | H201 | 46.2° | 23.1° |
| C03 | N07 | C22 | H221 | 84.8° | 23.3° |
| C03 | N07 | C22 | H222 | 41.9° | 108.1° |
| N04 | C05 | C06 | C08 | 179.2° | 179.9° |
| N04 | C05 | C06 | C10 | 179.9° | 180.0° |
| N04 | C05 | C08 | C09 | 161.2° | 162.9° |
| N04 | C05 | C08 | F11 | 82.8° | 43.9° |
| N04 | C05 | C08 | F12 | 41.2° | 78.2° |
| C06 | C05 | C08 | C09 | 19.6° | 17.0° |
| C06 | C05 | C08 | F11 | 96.4° | 136.0° |
| C06 | C05 | C08 | F12 | 139.7° | 101.9° |
| C05 | C06 | C10 | C09 | 18.4° | 17.1° |
| C05 | C06 | C10 | H101 | 137.3° | 101.9° |
| C05 | C06 | C10 | H102 | 100.6° | 136.0° |
| C08 | C05 | C06 | C10 | 0.8° | 0.0° |
| C05 | C08 | C09 | F11 | 116.3° | 118.9° |
| C05 | C08 | C09 | F12 | 123.1° | 118.9° |
| C05 | C08 | F11 | F12 | 126.9° | 122.1° |
| C05 | C08 | C09 | C10 | 30.3° | 26.1° |
| C05 | C08 | C09 | H091 | 149.5° | 144.3° |
| C05 | C08 | C09 | H092 | 88.9° | 92.1° |
| C06 | C10 | C09 | C08 | 29.8° | 26.2° |
| C06 | C10 | C09 | H101 | 118.9° | 119.0° |
| C06 | C10 | C09 | H102 | 118.9° | 119.0° |
| C06 | C10 | H101 | H102 | 123.1° | 122.1° |
| C06 | C10 | C09 | H091 | 148.9° | 144.4° |
| C06 | C10 | C09 | H092 | 89.4° | 92.1° |
| N07 | C20 | C21 | C24 | 118.9° | 114.3° |
| N07 | C20 | C21 | H201 | 113.7° | 114.5° |
| N07 | C20 | C24 | H201 | 128.6° | 131.7° |
| C20 | N07 | C22 | C21 | 11.8° | 24.7° |
| N07 | C20 | C24 | F23 | 46.2° | 56.1° |
| N07 | C20 | C24 | F25 | 165.8° | 176.0° |
| N07 | C20 | C24 | F26 | 72.2° | 64.0° |
| N07 | C20 | C21 | H211 | 127.1° | 138.1° |
| N07 | C20 | C21 | H212 | 104.4° | 90.6° |
| C20 | N07 | C22 | H221 | 128.5° | 89.5° |
| C20 | N07 | C22 | H222 | 104.8° | 139.1° |
| C22 | N07 | C20 | C24 | 131.0° | 139.1° |
| N07 | C22 | C21 | H221 | 116.6° | 114.3° |
| N07 | C22 | C21 | H222 | 116.7° | 114.4° |
| C22 | N07 | C20 | H201 | 101.0° | 89.7° |
| N07 | C22 | C21 | H211 | 127.1° | 138.1° |
| N07 | C22 | C21 | H212 | 104.4° | 90.6° |
| N07 | C22 | H221 | H222 | 129.0° | 131.8° |
| C09 | C08 | F11 | F12 | 121.0° | 122.1° |
| C08 | C09 | C10 | H091 | 119.2° | 118.2° |
| C08 | C09 | C10 | H092 | 119.2° | 118.2° |
| C08 | C09 | C10 | H101 | 148.7° | 92.8° |
| C08 | C09 | C10 | H102 | 89.2° | 145.1° |
| C08 | C09 | H091 | H092 | 122.3° | 123.5° |
| F11 | C08 | C09 | C10 | 86.0° | 145.0° |
| F11 | C08 | C09 | H091 | 33.2° | 96.8° |
| F11 | C08 | C09 | H092 | 154.8° | 26.8° |
| F12 | C08 | C09 | C10 | 153.3° | 92.8° |
| F12 | C08 | C09 | H091 | 87.5° | 25.4° |
| F12 | C08 | C09 | H092 | 34.1° | 149.0° |
| C09 | C10 | H101 | H102 | 123.1° | 122.1° |
| C10 | C09 | H091 | H092 | 122.3° | 123.5° |
| C15 | C13 | C27 | C29 | 124.9° | 115.3° |
| C15 | C13 | C27 | N30 | 121.2° | 129.4° |
| C15 | C13 | C29 | N30 | 120.5° | 129.5° |
| C13 | C15 | C14 | C19 | 179.9° | 180.0° |
| C13 | C15 | C14 | C16 | 179.7° | 179.8° |
| C13 | C15 | C16 | C17 | 179.9° | 180.0° |
| C15 | C13 | C27 | S28 | 105.7° | 148.2° |
| C15 | C13 | C29 | S28 | 106.6° | 148.1° |
| C13 | C15 | C14 | H141 | 0.0° | 0.0° |
| C13 | C15 | C16 | H161 | 0.2° | 0.0° |
| C15 | C13 | C27 | H271 | 137.5° | 96.6° |
| C15 | C13 | C27 | H272 | 11.1° | 32.9° |
| C15 | C13 | C29 | H291 | 10.2° | 32.8° |
| C15 | C13 | C29 | H292 | 136.5° | 96.5° |
| C15 | C13 | N30 | H1 | 180.0° | 50.4° |
| C15 | C13 | N30 | H301 | 60.0° | 73.5° |
| C27 | C13 | C29 | N30 | 113.6° | 115.2° |
| C27 | C13 | C15 | C14 | 22.3° | 29.8° |
| C27 | C13 | C15 | C16 | 158.0° | 150.0° |
| C13 | C27 | S28 | H271 | 116.8° | 115.3° |
| C13 | C27 | S28 | H272 | 116.8° | 115.3° |
| C27 | C13 | C29 | S28 | 19.3° | 32.9° |
| C13 | C27 | S28 | O31 | 94.0° | 136.7° |
| C13 | C27 | S28 | O32 | 125.1° | 79.5° |
| C13 | C27 | H271 | H272 | 128.6° | 129.8° |
| C27 | C13 | C29 | H291 | 136.1° | 82.4° |
| C27 | C13 | C29 | H292 | 97.6° | 148.2° |
| C27 | C13 | N30 | H1 | 51.1° | 179.8° |
| C27 | C13 | N30 | H301 | 171.1° | 56.2° |
| C29 | C13 | C15 | C14 | 90.9° | 70.6° |
| C29 | C13 | C15 | C16 | 88.8° | 109.6° |
| C13 | C29 | S28 | H291 | 116.8° | 115.2° |
| C13 | C29 | S28 | H292 | 116.8° | 115.3° |
| C13 | C29 | S28 | O31 | 93.2° | 136.7° |
| C13 | C29 | S28 | O32 | 125.3° | 79.5° |
| C29 | C13 | C27 | H271 | 97.6° | 148.1° |
| C29 | C13 | C27 | H272 | 136.0° | 82.4° |
| C13 | C29 | H291 | H292 | 128.6° | 129.7° |
| C29 | C13 | N30 | H1 | 52.5° | 79.5° |
| C29 | C13 | N30 | H301 | 67.5° | 156.6° |
| N30 | C13 | C15 | C14 | 145.9° | 159.5° |
| N30 | C13 | C15 | C16 | 34.4° | 20.3° |
| N30 | C13 | C27 | S28 | 133.2° | 82.4° |
| N30 | C13 | C29 | S28 | 132.9° | 82.3° |
| N30 | C13 | C27 | H271 | 16.4° | 32.9° |
| N30 | C13 | C27 | H272 | 110.0° | 162.4° |
| N30 | C13 | C29 | H291 | 110.3° | 162.4° |
| N30 | C13 | C29 | H292 | 16.0° | 33.0° |
| C13 | N30 | H1 | H301 | 120.0° | 123.9° |
| C19 | C14 | C15 | H141 | 180.0° | 180.0° |
| C19 | C14 | C15 | C16 | 0.3° | 0.2° |
| C14 | C19 | C18 | C17 | 1.2° | 0.3° |
| C14 | C19 | C18 | H191 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C15 | C14 | C19 | C18 | 0.4° | 0.0° |
| C14 | C15 | C16 | H161 | 179.8° | 179.8° |
| C15 | C14 | C19 | H191 | 179.6° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C15 | C16 | C17 | H171 | 179.4° | 179.7° |
| C16 | C15 | C14 | H141 | 179.7° | 179.8° |
| C16 | C17 | C18 | H171 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 1.3° | 0.3° |
| C18 | C17 | C16 | H161 | 179.4° | 180.0° |
| C17 | C18 | C19 | H191 | 178.8° | 179.7° |
| C19 | C18 | C17 | H171 | 178.7° | 180.0° |
| C18 | C19 | C14 | H141 | 179.6° | 180.0° |
| C21 | C20 | C24 | H201 | 127.5° | 131.7° |
| C20 | C21 | C22 | H211 | 115.8° | 114.4° |
| C20 | C21 | C22 | H212 | 115.8° | 114.4° |
| C21 | C20 | C24 | F23 | 57.7° | 40.4° |
| C21 | C20 | C24 | F25 | 61.9° | 79.5° |
| C21 | C20 | C24 | F26 | 176.1° | 160.5° |
| C20 | C21 | H211 | H212 | 131.1° | 131.7° |
| C20 | C21 | C22 | H221 | 128.0° | 90.6° |
| C20 | C21 | C22 | H222 | 105.3° | 138.2° |
| C24 | C20 | C21 | C22 | 130.2° | 138.0° |
| C20 | C24 | F23 | F25 | 122.1° | 120.0° |
| C20 | C24 | F23 | F26 | 121.9° | 120.1° |
| C20 | C24 | F25 | F26 | 124.6° | 120.0° |
| C24 | C20 | C21 | H211 | 114.0° | 107.7° |
| C24 | C20 | C21 | H212 | 14.5° | 23.7° |
| C22 | C21 | C20 | H201 | 102.3° | 90.7° |
| C22 | C21 | H211 | H212 | 131.1° | 131.6° |
| C21 | C22 | H221 | H222 | 129.0° | 131.6° |
| F23 | C24 | F25 | F26 | 115.2° | 120.0° |
| F23 | C24 | C20 | H201 | 174.7° | 172.2° |
| F25 | C24 | C20 | H201 | 65.7° | 52.2° |
| F26 | C24 | C20 | H201 | 56.4° | 67.8° |
| C27 | S28 | C29 | O31 | 109.7° | 108.2° |
| C27 | S28 | C29 | O32 | 108.8° | 108.1° |
| C27 | S28 | O31 | O32 | 137.1° | 139.8° |
| S28 | C27 | H271 | H272 | 128.6° | 129.8° |
| C27 | S28 | C29 | H291 | 133.3° | 86.7° |
| C27 | S28 | C29 | H292 | 100.3° | 143.8° |
| C29 | S28 | O31 | O32 | 137.8° | 139.7° |
| C29 | S28 | C27 | H271 | 100.3° | 143.9° |
| C29 | S28 | C27 | H272 | 133.3° | 86.7° |
| S28 | C29 | H291 | H292 | 128.6° | 129.9° |
| O31 | S28 | C27 | H271 | 149.2° | 108.0° |
| O31 | S28 | C27 | H272 | 22.8° | 21.5° |
| O31 | S28 | C29 | H291 | 23.7° | 21.5° |
| O31 | S28 | C29 | H292 | 150.0° | 108.0° |
| O32 | S28 | C27 | H271 | 8.3° | 35.8° |
| O32 | S28 | C27 | H272 | 118.1° | 165.2° |
| O32 | S28 | C29 | H291 | 117.8° | 165.2° |
| O32 | S28 | C29 | H292 | 8.5° | 35.7° |
| H101 | C10 | C09 | H091 | 92.1° | 25.4° |
| H101 | C10 | C09 | H092 | 29.5° | 149.0° |
| H102 | C10 | C09 | H091 | 30.0° | 96.7° |
| H102 | C10 | C09 | H092 | 151.6° | 26.9° |
| H171 | C17 | C16 | H161 | 0.6° | 0.3° |
| H201 | C20 | C21 | H211 | 13.4° | 23.6° |
| H201 | C20 | C21 | H212 | 141.9° | 155.0° |
| H211 | C21 | C22 | H221 | 116.3° | 23.8° |
| H211 | C21 | C22 | H222 | 10.4° | 107.4° |
| H212 | C21 | C22 | H221 | 12.2° | 155.1° |
| H212 | C21 | C22 | H222 | 138.9° | 23.8° |
| H141 | C14 | C19 | H191 | 0.4° | 0.0° |






