A1AHV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.37Å | Aromatic |
| O12 | C11 | sing | 1.36Å | 1.38Å | |
| C15 | C16 | sing | 1.56Å | 1.23Å | |
| C15 | C07 | sing | 1.53Å | 1.48Å | |
| C15 | O31 | sing | 1.47Å | 1.65Å | |
| C11 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.55Å | 1.29Å | |
| O28 | S18 | doub | 1.42Å | 1.47Å | |
| C08 | C07 | sing | 1.47Å | 1.51Å | |
| C08 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.36Å | 1.68Å | |
| O31 | C30 | sing | 1.47Å | 1.59Å | |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | S18 | sing | 1.81Å | 2.13Å | |
| C17 | C30 | sing | 1.56Å | 1.31Å | |
| S18 | O29 | doub | 1.42Å | 1.47Å | |
| S18 | N19 | sing | 1.66Å | 1.70Å | |
| C30 | C06 | sing | 1.53Å | 1.45Å | |
| C06 | C05 | sing | 1.47Å | 1.48Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| N19 | C23 | sing | 1.40Å | 1.47Å | |
| N19 | C20 | sing | 1.47Å | 1.45Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | C32 | sing | 1.40Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.54Å | 1.51Å | |
| C32 | C33 | doub | 1.38Å | 1.36Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C02 | sing | 1.39Å | 1.37Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.38Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 119.8° | 120.1° |
| C10 | C09 | C08 | 119.3° | 119.9° |
| C09 | C10 | H101 | 120.1° | 119.9° |
| C10 | C09 | H091 | 120.3° | 120.1° |
| C10 | C11 | O12 | 118.7° | 119.9° |
| C10 | C11 | C13 | 121.0° | 120.2° |
| C11 | C10 | H101 | 120.1° | 120.0° |
| C09 | C08 | C07 | 121.4° | 120.1° |
| C09 | C08 | C14 | 121.0° | 119.8° |
| C08 | C09 | H091 | 120.3° | 120.1° |
| O12 | C11 | C13 | 120.3° | 119.9° |
| C11 | O12 | H121 | 109.5° | 114.0° |
| C16 | C15 | C07 | 116.8° | 105.1° |
| C16 | C15 | O31 | 96.1° | 101.1° |
| C15 | C16 | C17 | 112.6° | 101.9° |
| C16 | C15 | H151 | 118.4° | 115.6° |
| C15 | C16 | H161 | 108.7° | 110.9° |
| C15 | C16 | H162 | 108.7° | 111.0° |
| C07 | C15 | O31 | 97.1° | 100.7° |
| C15 | C07 | C08 | 128.6° | 127.0° |
| C15 | C07 | C06 | 100.6° | 106.0° |
| C07 | C15 | H151 | 113.3° | 115.6° |
| C15 | O31 | C30 | 87.1° | 97.0° |
| O31 | C15 | H151 | 110.8° | 116.6° |
| C11 | C13 | C14 | 119.4° | 120.1° |
| C11 | C13 | H131 | 120.3° | 119.9° |
| C16 | C17 | S18 | 122.8° | 110.9° |
| C16 | C17 | C30 | 110.7° | 101.9° |
| C16 | C17 | H171 | 114.2° | 111.0° |
| C17 | C16 | H161 | 108.7° | 110.9° |
| C17 | C16 | H162 | 108.7° | 110.9° |
| O28 | S18 | C17 | 108.9° | 110.5° |
| O28 | S18 | O29 | 107.3° | 121.1° |
| O28 | S18 | N19 | 117.3° | 104.3° |
| C07 | C08 | C14 | 117.5° | 120.0° |
| C08 | C07 | C06 | 126.1° | 127.0° |
| C08 | C14 | C13 | 119.5° | 119.9° |
| C08 | C14 | H141 | 120.2° | 120.1° |
| C07 | C06 | C30 | 100.0° | 105.9° |
| C07 | C06 | C05 | 136.6° | 127.1° |
| O31 | C30 | C17 | 94.4° | 101.1° |
| O31 | C30 | C06 | 106.6° | 100.7° |
| O31 | C30 | H301 | 112.4° | 116.6° |
| C14 | C13 | H131 | 120.3° | 120.0° |
| C13 | C14 | H141 | 120.3° | 120.0° |
| S18 | C17 | C30 | 88.5° | 110.9° |
| C17 | S18 | O29 | 113.9° | 110.5° |
| C17 | S18 | N19 | 102.6° | 104.4° |
| S18 | C17 | H171 | 104.4° | 110.8° |
| C17 | C30 | C06 | 109.0° | 105.1° |
| C30 | C17 | H171 | 113.7° | 111.0° |
| C17 | C30 | H301 | 117.5° | 115.6° |
| O29 | S18 | N19 | 107.0° | 104.3° |
| S18 | N19 | C23 | 125.9° | 125.0° |
| S18 | N19 | C20 | 124.4° | 125.0° |
| C30 | C06 | C05 | 123.4° | 127.0° |
| C06 | C30 | H301 | 114.7° | 115.6° |
| C06 | C05 | C04 | 120.2° | 120.2° |
| C06 | C05 | C32 | 116.1° | 120.1° |
| C25 | C24 | C23 | 119.4° | 120.3° |
| C24 | C25 | C26 | 119.9° | 120.2° |
| C25 | C24 | H241 | 120.3° | 119.9° |
| C24 | C25 | H251 | 120.1° | 119.9° |
| C24 | C23 | N19 | 130.9° | 129.3° |
| C24 | C23 | C22 | 121.0° | 119.0° |
| C23 | C24 | H241 | 120.3° | 119.8° |
| C25 | C26 | C27 | 120.4° | 119.8° |
| C25 | C26 | H261 | 119.8° | 120.1° |
| C26 | C25 | H251 | 120.0° | 119.8° |
| C23 | N19 | C20 | 108.2° | 110.1° |
| N19 | C23 | C22 | 108.1° | 111.7° |
| N19 | C20 | C21 | 104.1° | 105.2° |
| N19 | C20 | H202 | 110.8° | 110.3° |
| N19 | C20 | H201 | 110.8° | 110.4° |
| C23 | C22 | C27 | 119.8° | 120.5° |
| C23 | C22 | C21 | 108.6° | 108.5° |
| C04 | C05 | C32 | 123.5° | 119.8° |
| C05 | C04 | C03 | 117.8° | 119.9° |
| C05 | C04 | H041 | 121.1° | 120.0° |
| C05 | C32 | C33 | 118.0° | 119.9° |
| C05 | C32 | H321 | 121.0° | 120.0° |
| C04 | C03 | C02 | 118.7° | 120.1° |
| C04 | C03 | H031 | 120.7° | 119.9° |
| C03 | C04 | H041 | 121.1° | 120.0° |
| C26 | C27 | C22 | 119.5° | 120.1° |
| C27 | C26 | H261 | 119.8° | 120.1° |
| C26 | C27 | H271 | 120.2° | 119.9° |
| C20 | C21 | C22 | 104.0° | 104.6° |
| C21 | C20 | H202 | 110.8° | 110.3° |
| C21 | C20 | H201 | 110.8° | 110.3° |
| C20 | C21 | H211 | 110.8° | 110.4° |
| C20 | C21 | H212 | 110.8° | 110.4° |
| C32 | C33 | C02 | 119.8° | 120.1° |
| C33 | C32 | H321 | 121.0° | 120.1° |
| C32 | C33 | H331 | 120.1° | 120.0° |
| C27 | C22 | C21 | 131.7° | 131.0° |
| C22 | C27 | H271 | 120.3° | 119.9° |
| C22 | C21 | H211 | 110.8° | 110.4° |
| C22 | C21 | H212 | 110.8° | 110.5° |
| C03 | C02 | C33 | 122.1° | 120.2° |
| C03 | C02 | O01 | 121.8° | 119.9° |
| C02 | C03 | H031 | 120.6° | 120.0° |
| C33 | C02 | O01 | 116.1° | 119.9° |
| C02 | C33 | H331 | 120.1° | 119.9° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| H202 | C20 | H201 | 109.5° | 110.3° |
| H211 | C21 | H212 | 109.5° | 110.4° |
| H161 | C16 | H162 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H101 | 180.0° | 179.6° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C09 | C10 | C11 | O12 | 179.7° | 180.0° |
| C09 | C10 | C11 | C13 | 1.0° | 0.1° |
| C10 | C09 | C08 | C07 | 176.2° | 179.9° |
| C10 | C09 | C08 | C14 | 0.1° | 0.1° |
| C11 | C10 | C09 | C08 | 0.9° | 0.1° |
| C10 | C11 | O12 | C13 | 179.2° | 180.0° |
| C10 | C11 | C13 | C14 | 0.1° | 0.0° |
| C10 | C11 | C13 | H131 | 179.9° | 180.0° |
| C11 | C10 | C09 | H091 | 179.1° | 180.0° |
| C10 | C11 | O12 | H121 | 180.0° | 90.0° |
| C09 | C08 | C07 | C15 | 23.7° | 65.0° |
| C09 | C08 | C07 | C14 | 176.5° | 180.0° |
| C09 | C08 | C07 | C06 | 127.2° | 115.0° |
| C09 | C08 | C14 | C13 | 1.1° | 0.0° |
| C08 | C09 | C10 | H101 | 179.1° | 179.7° |
| C09 | C08 | C14 | H141 | 178.9° | 179.9° |
| O12 | C11 | C13 | C14 | 179.3° | 180.0° |
| O12 | C11 | C10 | H101 | 0.3° | 0.3° |
| O12 | C11 | C13 | H131 | 0.7° | 0.0° |
| C16 | C15 | C07 | O31 | 100.6° | 104.7° |
| C16 | C15 | C07 | H151 | 143.1° | 128.7° |
| C16 | C15 | O31 | H151 | 123.6° | 126.2° |
| C15 | C16 | C17 | H161 | 120.5° | 118.2° |
| C15 | C16 | C17 | H162 | 120.5° | 118.2° |
| C16 | C15 | C07 | C08 | 153.3° | 107.5° |
| C16 | C15 | C07 | C06 | 50.2° | 72.5° |
| C16 | C15 | O31 | C30 | 53.4° | 57.4° |
| C15 | C16 | C17 | S18 | 99.5° | 118.2° |
| C15 | C16 | C17 | C30 | 2.7° | 0.0° |
| C15 | C16 | C17 | H171 | 132.6° | 118.2° |
| C15 | C16 | H161 | H162 | 118.6° | 123.8° |
| C07 | C15 | O31 | H151 | 118.3° | 125.9° |
| C07 | C15 | C16 | C17 | 65.3° | 69.6° |
| C15 | C07 | C08 | C06 | 150.9° | 180.0° |
| C15 | C07 | C08 | C14 | 152.8° | 115.0° |
| C07 | C15 | O31 | C30 | 64.7° | 50.6° |
| C15 | C07 | C06 | C30 | 14.1° | 0.0° |
| C15 | C07 | C06 | C05 | 165.9° | 179.9° |
| C07 | C15 | C16 | H161 | 174.3° | 172.2° |
| C07 | C15 | C16 | H162 | 55.2° | 48.5° |
| O31 | C15 | C16 | C17 | 35.9° | 34.8° |
| O31 | C15 | C07 | C08 | 106.1° | 147.8° |
| O31 | C15 | C07 | C06 | 50.4° | 32.2° |
| C15 | O31 | C30 | C17 | 52.9° | 57.4° |
| C15 | O31 | C30 | C06 | 58.5° | 50.6° |
| O31 | C15 | C16 | H161 | 84.5° | 83.4° |
| O31 | C15 | C16 | H162 | 156.4° | 152.9° |
| C15 | O31 | C30 | H301 | 175.0° | 176.4° |
| C11 | C13 | C14 | C08 | 1.0° | 0.0° |
| C11 | C13 | C14 | H131 | 180.0° | 179.9° |
| C13 | C11 | C10 | H101 | 179.0° | 179.7° |
| C11 | C13 | C14 | H141 | 179.0° | 179.9° |
| C13 | C11 | O12 | H121 | 0.7° | 90.0° |
| C16 | C17 | S18 | O28 | 38.3° | 179.1° |
| C16 | C17 | C30 | O31 | 41.3° | 34.8° |
| C16 | C17 | S18 | C30 | 113.9° | 112.5° |
| C16 | C17 | S18 | H171 | 132.0° | 123.7° |
| C16 | C17 | C30 | H171 | 130.2° | 118.2° |
| C16 | C17 | S18 | O29 | 81.4° | 44.2° |
| C16 | C17 | S18 | N19 | 163.3° | 67.4° |
| C16 | C17 | C30 | C06 | 68.0° | 69.6° |
| C17 | C16 | C15 | H151 | 153.6° | 161.6° |
| C17 | C16 | H161 | H162 | 118.5° | 123.7° |
| C16 | C17 | C30 | H301 | 159.3° | 161.6° |
| O28 | S18 | C17 | O29 | 119.7° | 136.8° |
| O28 | S18 | C17 | N19 | 125.0° | 111.6° |
| O28 | S18 | C17 | C30 | 152.1° | 68.4° |
| O28 | S18 | O29 | N19 | 126.7° | 116.8° |
| O28 | S18 | N19 | C23 | 3.1° | 26.1° |
| O28 | S18 | N19 | C20 | 161.3° | 153.9° |
| O28 | S18 | C17 | H171 | 93.7° | 55.3° |
| C07 | C08 | C14 | C13 | 175.4° | 180.0° |
| C08 | C07 | C06 | C30 | 143.1° | 180.0° |
| C08 | C07 | C06 | C05 | 36.9° | 0.1° |
| C08 | C07 | C15 | H151 | 10.3° | 21.3° |
| C07 | C08 | C09 | H091 | 3.8° | 0.1° |
| C07 | C08 | C14 | H141 | 4.6° | 0.1° |
| C14 | C08 | C07 | C06 | 56.3° | 65.0° |
| C08 | C14 | C13 | H141 | 180.0° | 179.9° |
| C08 | C14 | C13 | H131 | 179.0° | 180.0° |
| C14 | C08 | C09 | H091 | 179.9° | 179.9° |
| C07 | C06 | C30 | O31 | 30.4° | 32.2° |
| C07 | C06 | C30 | C17 | 70.4° | 72.5° |
| C07 | C06 | C30 | C05 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 108.1° | 65.0° |
| C07 | C06 | C05 | C32 | 76.7° | 114.9° |
| C06 | C07 | C15 | H151 | 166.7° | 158.7° |
| C07 | C06 | C30 | H301 | 155.5° | 158.7° |
| O31 | C30 | C17 | S18 | 83.4° | 83.4° |
| O31 | C30 | C17 | C06 | 109.3° | 104.4° |
| O31 | C30 | C17 | H301 | 118.0° | 126.8° |
| O31 | C30 | C06 | H301 | 125.1° | 126.5° |
| O31 | C30 | C06 | C05 | 149.6° | 147.8° |
| C30 | O31 | C15 | H151 | 177.0° | 176.5° |
| O31 | C30 | C17 | H171 | 171.5° | 153.0° |
| S18 | C17 | C30 | H171 | 105.1° | 123.7° |
| C17 | S18 | O29 | N19 | 112.7° | 111.7° |
| S18 | C17 | C30 | C06 | 167.3° | 172.2° |
| C17 | S18 | N19 | C23 | 116.2° | 90.0° |
| C17 | S18 | N19 | C20 | 79.4° | 90.0° |
| S18 | C17 | C16 | H161 | 21.0° | 0.0° |
| S18 | C17 | C16 | H162 | 140.0° | 123.6° |
| S18 | C17 | C30 | H301 | 34.6° | 43.5° |
| C30 | C17 | S18 | O29 | 32.4° | 68.4° |
| C30 | C17 | S18 | N19 | 82.8° | 180.0° |
| C17 | C30 | C06 | H301 | 134.1° | 128.7° |
| C17 | C30 | C06 | C05 | 109.6° | 107.5° |
| C30 | C17 | C16 | H161 | 123.2° | 118.2° |
| C30 | C17 | C16 | H162 | 117.8° | 118.2° |
| O29 | S18 | N19 | C23 | 123.6° | 154.0° |
| O29 | S18 | N19 | C20 | 40.8° | 26.0° |
| O29 | S18 | C17 | H171 | 146.6° | 167.9° |
| S18 | N19 | C23 | C24 | 4.3° | 0.0° |
| S18 | N19 | C23 | C20 | 166.5° | 180.0° |
| S18 | N19 | C23 | C22 | 176.8° | 180.0° |
| S18 | N19 | C20 | C21 | 167.1° | 180.0° |
| N19 | S18 | C17 | H171 | 31.3° | 56.3° |
| S18 | N19 | C20 | H202 | 48.0° | 61.1° |
| S18 | N19 | C20 | H201 | 73.8° | 61.0° |
| C30 | C06 | C05 | C04 | 71.9° | 115.0° |
| C30 | C06 | C05 | C32 | 103.3° | 65.1° |
| C06 | C30 | C17 | H171 | 62.2° | 48.6° |
| C06 | C05 | C04 | C32 | 174.9° | 179.9° |
| C06 | C05 | C04 | C03 | 178.6° | 179.9° |
| C06 | C05 | C32 | C33 | 178.0° | 179.7° |
| C06 | C05 | C04 | H041 | 1.5° | 0.1° |
| C05 | C06 | C30 | H301 | 24.5° | 21.2° |
| C06 | C05 | C32 | H321 | 2.0° | 0.1° |
| C25 | C24 | C23 | H241 | 180.0° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C25 | C24 | C23 | N19 | 179.8° | 180.0° |
| C25 | C24 | C23 | C22 | 1.4° | 0.0° |
| C24 | C25 | C26 | C27 | 0.7° | 0.0° |
| C24 | C25 | C26 | H261 | 179.3° | 180.0° |
| C23 | C24 | C25 | C26 | 1.3° | 0.0° |
| C24 | C23 | N19 | C22 | 179.0° | 180.0° |
| C24 | C23 | N19 | C20 | 162.2° | 180.0° |
| C24 | C23 | C22 | C27 | 0.8° | 0.0° |
| C24 | C23 | C22 | C21 | 179.1° | 180.0° |
| C23 | C24 | C25 | H251 | 178.7° | 180.0° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | C22 | 0.1° | 0.0° |
| C26 | C25 | C24 | H241 | 178.7° | 180.0° |
| C25 | C26 | C27 | H271 | 179.9° | 180.0° |
| C23 | N19 | C20 | C21 | 26.2° | 0.0° |
| N19 | C23 | C22 | C27 | 179.9° | 180.0° |
| N19 | C23 | C22 | C21 | 0.1° | 0.0° |
| C23 | N19 | C20 | H202 | 145.3° | 118.9° |
| C23 | N19 | C20 | H201 | 93.0° | 119.0° |
| N19 | C23 | C24 | H241 | 0.2° | 0.0° |
| C20 | N19 | C23 | C22 | 16.7° | 0.0° |
| N19 | C20 | C21 | H202 | 119.2° | 118.9° |
| N19 | C20 | C21 | H201 | 119.1° | 119.0° |
| N19 | C20 | C21 | C22 | 25.2° | 0.0° |
| N19 | C20 | H202 | H201 | 122.5° | 122.2° |
| N19 | C20 | C21 | H211 | 94.0° | 118.8° |
| N19 | C20 | C21 | H212 | 144.3° | 118.9° |
| C23 | C22 | C27 | C26 | 0.2° | 0.0° |
| C23 | C22 | C21 | C20 | 15.9° | 0.0° |
| C23 | C22 | C27 | C21 | 180.0° | 180.0° |
| C23 | C22 | C21 | H211 | 103.3° | 118.7° |
| C23 | C22 | C21 | H212 | 135.0° | 118.8° |
| C22 | C23 | C24 | H241 | 178.6° | 180.0° |
| C23 | C22 | C27 | H271 | 179.8° | 180.0° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C04 | C05 | C32 | C33 | 2.9° | 0.2° |
| C05 | C04 | C03 | C02 | 2.3° | 0.0° |
| C05 | C04 | C03 | H031 | 177.7° | 180.0° |
| C04 | C05 | C32 | H321 | 177.1° | 180.0° |
| C32 | C05 | C04 | C03 | 3.7° | 0.0° |
| C05 | C32 | C33 | H321 | 180.0° | 179.8° |
| C05 | C32 | C33 | C02 | 0.7° | 0.5° |
| C32 | C05 | C04 | H041 | 176.3° | 180.0° |
| C05 | C32 | C33 | H331 | 179.3° | 180.0° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | C33 | 0.3° | 0.3° |
| C04 | C03 | C02 | O01 | 177.6° | 180.0° |
| C26 | C27 | C22 | H271 | 180.0° | 180.0° |
| C26 | C27 | C22 | C21 | 179.8° | 180.0° |
| C27 | C26 | C25 | H251 | 179.3° | 180.0° |
| C20 | C21 | C22 | C27 | 164.1° | 180.0° |
| C20 | C21 | C22 | H211 | 119.1° | 118.7° |
| C20 | C21 | C22 | H212 | 119.1° | 118.8° |
| C21 | C20 | H202 | H201 | 122.5° | 122.1° |
| C20 | C21 | H211 | H212 | 122.5° | 122.3° |
| C32 | C33 | C02 | C03 | 0.5° | 0.5° |
| C32 | C33 | C02 | H331 | 180.0° | 179.6° |
| C32 | C33 | C02 | O01 | 178.5° | 179.8° |
| C27 | C22 | C21 | H211 | 76.8° | 61.3° |
| C27 | C22 | C21 | H212 | 45.0° | 61.2° |
| C22 | C27 | C26 | H261 | 179.9° | 180.0° |
| C22 | C21 | C20 | H202 | 144.3° | 118.9° |
| C22 | C21 | C20 | H201 | 94.0° | 119.0° |
| C22 | C21 | H211 | H212 | 122.6° | 122.6° |
| C21 | C22 | C27 | H271 | 0.2° | 0.0° |
| C03 | C02 | C33 | O01 | 178.0° | 179.7° |
| C02 | C03 | C04 | H041 | 177.7° | 179.9° |
| C03 | C02 | C33 | H331 | 179.5° | 179.9° |
| C03 | C02 | O01 | H011 | 180.0° | 90.0° |
| C33 | C02 | C03 | H031 | 179.7° | 179.8° |
| C02 | C33 | C32 | H321 | 179.3° | 179.7° |
| C33 | C02 | O01 | H011 | 2.0° | 90.3° |
| O01 | C02 | C03 | H031 | 2.4° | 0.1° |
| O01 | C02 | C33 | H331 | 1.5° | 0.2° |
| H101 | C10 | C09 | H091 | 0.9° | 0.4° |
| H131 | C13 | C14 | H141 | 1.0° | 0.1° |
| H151 | C15 | C16 | H161 | 33.2° | 43.5° |
| H151 | C15 | C16 | H162 | 85.9° | 80.3° |
| H171 | C17 | C16 | H161 | 106.9° | 123.6° |
| H171 | C17 | C16 | H162 | 12.1° | 0.0° |
| H171 | C17 | C30 | H301 | 70.5° | 80.2° |
| H202 | C20 | C21 | H211 | 25.2° | 122.3° |
| H202 | C20 | C21 | H212 | 96.6° | 0.0° |
| H201 | C20 | C21 | H211 | 146.9° | 0.3° |
| H201 | C20 | C21 | H212 | 25.1° | 122.1° |
| H241 | C24 | C25 | H251 | 1.3° | 0.0° |
| H261 | C26 | C25 | H251 | 0.7° | 0.0° |
| H261 | C26 | C27 | H271 | 0.1° | 0.0° |
| H031 | C03 | C04 | H041 | 2.3° | 0.0° |
| H321 | C32 | C33 | H331 | 0.7° | 0.2° |
