A1IRR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.20Å | |
| C04 | N03 | sing | 1.46Å | 1.45Å | |
| C05 | C04 | sing | 1.51Å | 1.57Å | |
| C07 | N06 | sing | 1.48Å | 1.34Å | |
| O09 | C08 | sing | 1.34Å | 1.26Å | |
| O10 | C08 | doub | 1.21Å | 1.28Å | |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| C11 | C07 | sing | 1.55Å | 1.56Å | |
| C12 | C11 | sing | 1.55Å | 1.57Å | |
| C13 | C12 | sing | 1.54Å | 1.41Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.54Å | |
| C19 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| N06 | C05 | sing | 1.35Å | 1.46Å | |
| O21 | C05 | doub | 1.21Å | 1.21Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| C22 | C02 | sing | 1.51Å | 1.52Å | |
| S23 | C22 | sing | 1.81Å | 1.79Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.51Å | 1.57Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| N06 | C13 | sing | 1.47Å | 1.59Å | |
| C14 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| O09 | H1 | sing | 0.97Å | 0.95Å | |
| S23 | H231 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 120.1° | 120.0° |
| O01 | C02 | C22 | 119.1° | 120.0° |
| N03 | C04 | C05 | 113.2° | 109.5° |
| C04 | N03 | C02 | 113.6° | 120.0° |
| N03 | C04 | H042 | 108.6° | 109.5° |
| N03 | C04 | H041 | 108.5° | 109.5° |
| C04 | N03 | H031 | 123.2° | 120.0° |
| C04 | C05 | N06 | 119.5° | 120.0° |
| C04 | C05 | O21 | 120.6° | 120.0° |
| C05 | C04 | H042 | 108.5° | 109.5° |
| C05 | C04 | H041 | 108.6° | 109.5° |
| N06 | C07 | C08 | 109.2° | 110.3° |
| N06 | C07 | C11 | 104.8° | 104.8° |
| C07 | N06 | C05 | 123.6° | 125.7° |
| C07 | N06 | C13 | 111.8° | 108.7° |
| N06 | C07 | H071 | 112.3° | 110.3° |
| O09 | C08 | O10 | 119.2° | 120.0° |
| O09 | C08 | C07 | 120.1° | 120.0° |
| C08 | O09 | H1 | 109.5° | 117.0° |
| O10 | C08 | C07 | 120.7° | 120.0° |
| C08 | C07 | C11 | 111.8° | 110.5° |
| C08 | C07 | H071 | 109.5° | 110.4° |
| C07 | C11 | C12 | 102.6° | 101.6° |
| C11 | C07 | H071 | 109.1° | 110.4° |
| C07 | C11 | H112 | 111.2° | 111.0° |
| C07 | C11 | H111 | 111.2° | 111.1° |
| C11 | C12 | C13 | 105.0° | 102.9° |
| C12 | C11 | H112 | 111.2° | 111.0° |
| C12 | C11 | H111 | 111.2° | 111.0° |
| C11 | C12 | H122 | 110.6° | 110.8° |
| C11 | C12 | H121 | 110.6° | 110.7° |
| C12 | C13 | C14 | 106.7° | 109.9° |
| C12 | C13 | N06 | 104.5° | 107.3° |
| C13 | C12 | H122 | 110.6° | 110.7° |
| C13 | C12 | H121 | 110.6° | 110.9° |
| C12 | C13 | H131 | 110.3° | 109.9° |
| C13 | C14 | C15 | 116.4° | 120.0° |
| C14 | C13 | N06 | 118.4° | 110.0° |
| C13 | C14 | C20 | 122.5° | 120.0° |
| C14 | C13 | H131 | 108.8° | 109.9° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C15 | C14 | C20 | 121.1° | 120.0° |
| C14 | C15 | H151 | 120.0° | 120.0° |
| C15 | C16 | C17 | 119.1° | 120.0° |
| C16 | C15 | H151 | 120.0° | 120.0° |
| C15 | C16 | H161 | 120.5° | 120.0° |
| C16 | C17 | C18 | 118.1° | 120.0° |
| C16 | C17 | C19 | 120.8° | 120.0° |
| C17 | C16 | H161 | 120.4° | 120.0° |
| C18 | C17 | C19 | 121.1° | 120.0° |
| C17 | C18 | H183 | 109.5° | 109.4° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | C18 | H181 | 109.5° | 109.4° |
| C17 | C19 | C20 | 120.2° | 120.0° |
| C17 | C19 | H191 | 119.9° | 120.0° |
| C19 | C20 | C14 | 118.8° | 120.0° |
| C20 | C19 | H191 | 119.9° | 120.0° |
| C19 | C20 | H201 | 120.6° | 120.0° |
| N06 | C05 | O21 | 119.8° | 120.0° |
| C05 | N06 | C13 | 124.5° | 125.7° |
| N03 | C02 | C22 | 120.6° | 120.0° |
| C02 | N03 | H031 | 123.2° | 120.0° |
| C02 | C22 | S23 | 98.0° | 109.5° |
| C02 | C22 | C24 | 106.8° | 109.5° |
| C02 | C22 | H221 | 112.5° | 109.5° |
| S23 | C22 | C24 | 117.2° | 109.5° |
| S23 | C22 | H221 | 109.0° | 109.5° |
| C22 | S23 | H231 | 102.0° | 103.0° |
| C22 | C24 | C25 | 113.4° | 109.5° |
| C24 | C22 | H221 | 112.5° | 109.4° |
| C22 | C24 | H242 | 108.5° | 109.5° |
| C22 | C24 | H241 | 108.5° | 109.5° |
| C24 | C25 | C26 | 119.5° | 120.0° |
| C24 | C25 | C30 | 120.0° | 120.0° |
| C25 | C24 | H242 | 108.5° | 109.4° |
| C25 | C24 | H241 | 108.5° | 109.5° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C26 | C25 | C30 | 120.5° | 120.0° |
| C25 | C26 | H261 | 119.9° | 120.0° |
| C26 | C27 | C28 | 119.6° | 120.0° |
| C27 | C26 | H261 | 119.9° | 120.0° |
| C26 | C27 | H271 | 120.2° | 120.0° |
| C27 | C28 | C29 | 120.3° | 120.0° |
| C28 | C27 | H271 | 120.2° | 120.0° |
| C27 | C28 | H281 | 119.9° | 120.0° |
| C28 | C29 | C30 | 120.1° | 120.0° |
| C29 | C28 | H281 | 119.9° | 120.0° |
| C28 | C29 | H291 | 120.0° | 120.0° |
| C29 | C30 | C25 | 119.3° | 120.0° |
| C30 | C29 | H291 | 120.0° | 120.0° |
| C29 | C30 | H301 | 120.4° | 120.0° |
| N06 | C13 | H131 | 107.9° | 109.9° |
| C14 | C20 | H201 | 120.6° | 120.0° |
| C25 | C30 | H301 | 120.3° | 120.0° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 110.9° |
| H122 | C12 | H121 | 109.5° | 110.6° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.6° |
| H242 | C24 | H241 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 3.5° | 0.1° |
| O01 | C02 | N03 | C22 | 175.3° | 179.7° |
| O01 | C02 | C22 | S23 | 70.4° | 85.0° |
| O01 | C02 | C22 | C24 | 51.2° | 35.0° |
| O01 | C02 | C22 | H221 | 175.1° | 154.9° |
| O01 | C02 | N03 | H031 | 176.5° | 180.0° |
| N03 | C04 | C05 | H042 | 120.5° | 120.0° |
| N03 | C04 | C05 | H041 | 120.6° | 120.0° |
| N03 | C04 | C05 | N06 | 152.8° | 180.0° |
| N03 | C04 | C05 | O21 | 28.8° | 0.0° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| C04 | N03 | C02 | C22 | 178.7° | 179.7° |
| N03 | C04 | H042 | H041 | 118.3° | 120.0° |
| C04 | C05 | N06 | C07 | 178.5° | 0.0° |
| C04 | C05 | N06 | O21 | 178.4° | 180.0° |
| C05 | C04 | N03 | C02 | 68.2° | 180.0° |
| C04 | C05 | N06 | C13 | 6.3° | 180.0° |
| C05 | C04 | H042 | H041 | 118.3° | 120.0° |
| C05 | C04 | N03 | H031 | 111.8° | 0.0° |
| N06 | C07 | C08 | O09 | 152.6° | 146.1° |
| N06 | C07 | C08 | O10 | 28.4° | 34.0° |
| N06 | C07 | C08 | C11 | 115.6° | 115.4° |
| N06 | C07 | C08 | H071 | 123.4° | 122.2° |
| N06 | C07 | C11 | H071 | 120.5° | 118.8° |
| N06 | C07 | C11 | C12 | 29.4° | 37.0° |
| C07 | N06 | C13 | C12 | 6.4° | 1.0° |
| C07 | N06 | C13 | C14 | 112.1° | 118.4° |
| C07 | N06 | C05 | C13 | 175.2° | 179.9° |
| C07 | N06 | C05 | O21 | 0.1° | 180.0° |
| N06 | C07 | C11 | H112 | 89.5° | 155.1° |
| N06 | C07 | C11 | H111 | 148.3° | 81.1° |
| C07 | N06 | C13 | H131 | 123.8° | 120.5° |
| O09 | C08 | O10 | C07 | 179.0° | 179.9° |
| O09 | C08 | C07 | C11 | 91.8° | 98.5° |
| O09 | C08 | C07 | H071 | 29.2° | 23.9° |
| O10 | C08 | C07 | C11 | 87.2° | 81.5° |
| O10 | C08 | C07 | H071 | 151.8° | 156.2° |
| O10 | C08 | O09 | H1 | 0.0° | 0.0° |
| C08 | C07 | C11 | H071 | 121.3° | 122.4° |
| C08 | C07 | C11 | C12 | 147.6° | 81.8° |
| C08 | C07 | N06 | C05 | 49.0° | 85.2° |
| C08 | C07 | N06 | C13 | 135.2° | 94.9° |
| C08 | C07 | C11 | H112 | 28.7° | 36.2° |
| C08 | C07 | C11 | H111 | 93.5° | 160.1° |
| C07 | C08 | O09 | H1 | 179.0° | 180.0° |
| C07 | C11 | C12 | H112 | 118.9° | 118.0° |
| C07 | C11 | C12 | H111 | 118.9° | 118.2° |
| C07 | C11 | C12 | C13 | 33.9° | 35.6° |
| C11 | C07 | N06 | C05 | 169.0° | 155.8° |
| C11 | C07 | N06 | C13 | 15.3° | 24.1° |
| C07 | C11 | H112 | H111 | 123.2° | 123.9° |
| C07 | C11 | C12 | H122 | 153.1° | 82.8° |
| C07 | C11 | C12 | H121 | 85.4° | 154.1° |
| C11 | C12 | C13 | H122 | 119.3° | 118.4° |
| C11 | C12 | C13 | H121 | 119.3° | 118.4° |
| C11 | C12 | C13 | C14 | 101.4° | 141.8° |
| C11 | C12 | C13 | N06 | 24.8° | 22.2° |
| C12 | C11 | C07 | H071 | 91.1° | 155.8° |
| C12 | C11 | H112 | H111 | 123.2° | 123.9° |
| C11 | C12 | H122 | H121 | 122.1° | 123.2° |
| C11 | C12 | C13 | H131 | 140.5° | 97.2° |
| C12 | C13 | C14 | N06 | 117.4° | 117.9° |
| C12 | C13 | C14 | H131 | 119.1° | 121.0° |
| C12 | C13 | C14 | C15 | 81.2° | 78.6° |
| C12 | C13 | N06 | C05 | 169.3° | 178.9° |
| C12 | C13 | N06 | H131 | 117.4° | 119.5° |
| C12 | C13 | C14 | C20 | 98.3° | 101.7° |
| C13 | C12 | C11 | H112 | 85.0° | 153.6° |
| C13 | C12 | C11 | H111 | 152.8° | 82.6° |
| C13 | C12 | H122 | H121 | 122.1° | 123.3° |
| C13 | C14 | C15 | C20 | 179.5° | 179.7° |
| C13 | C14 | C15 | C16 | 179.0° | 180.0° |
| C13 | C14 | C20 | C19 | 179.3° | 179.8° |
| C14 | C13 | N06 | C05 | 72.2° | 61.6° |
| C14 | C13 | N06 | H131 | 124.1° | 121.1° |
| C14 | C13 | C12 | H122 | 17.8° | 23.4° |
| C14 | C13 | C12 | H121 | 139.3° | 99.8° |
| C13 | C14 | C15 | H151 | 1.0° | 0.0° |
| C13 | C14 | C20 | H201 | 0.7° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.4° | 0.0° |
| C15 | C14 | C20 | C19 | 0.1° | 0.5° |
| C15 | C14 | C13 | N06 | 161.4° | 163.5° |
| C15 | C14 | C13 | H131 | 37.9° | 42.4° |
| C14 | C15 | C16 | H161 | 178.6° | 180.0° |
| C15 | C14 | C20 | H201 | 179.9° | 179.8° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C15 | C16 | C17 | C19 | 2.1° | 0.0° |
| C16 | C15 | C14 | C20 | 0.4° | 0.3° |
| C16 | C17 | C18 | C19 | 177.5° | 180.0° |
| C16 | C17 | C19 | C20 | 1.8° | 0.2° |
| C17 | C16 | C15 | H151 | 178.6° | 180.0° |
| C16 | C17 | C18 | H183 | 91.1° | 90.0° |
| C16 | C17 | C18 | H182 | 148.8° | 150.0° |
| C16 | C17 | C18 | H181 | 28.8° | 30.0° |
| C16 | C17 | C19 | H191 | 178.1° | 180.0° |
| C18 | C17 | C19 | C20 | 179.3° | 179.8° |
| C18 | C17 | C16 | H161 | 0.3° | 0.0° |
| C17 | C18 | H183 | H182 | 120.0° | 119.9° |
| C17 | C18 | H183 | H181 | 120.0° | 119.9° |
| C17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C18 | C17 | C19 | H191 | 0.7° | 0.1° |
| C17 | C19 | C20 | H191 | 180.0° | 179.9° |
| C17 | C19 | C20 | C14 | 0.8° | 0.4° |
| C19 | C17 | C16 | H161 | 177.9° | 179.9° |
| C19 | C17 | C18 | H183 | 91.3° | 90.0° |
| C19 | C17 | C18 | H182 | 28.7° | 30.0° |
| C19 | C17 | C18 | H181 | 148.7° | 150.1° |
| C17 | C19 | C20 | H201 | 179.2° | 179.8° |
| C19 | C20 | C14 | H201 | 180.0° | 179.7° |
| N06 | C05 | C04 | H042 | 32.3° | 60.0° |
| N06 | C05 | C04 | H041 | 86.6° | 60.0° |
| C05 | N06 | C07 | H071 | 72.7° | 37.0° |
| C05 | N06 | C13 | H131 | 51.9° | 59.4° |
| O21 | C05 | N06 | C13 | 175.3° | 0.0° |
| O21 | C05 | C04 | H042 | 149.3° | 120.0° |
| O21 | C05 | C04 | H041 | 91.8° | 120.0° |
| N03 | C02 | C22 | S23 | 104.9° | 95.3° |
| N03 | C02 | C22 | C24 | 133.5° | 144.7° |
| C02 | N03 | C04 | H042 | 52.4° | 60.0° |
| C02 | N03 | C04 | H041 | 171.3° | 60.0° |
| N03 | C02 | C22 | H221 | 9.6° | 24.7° |
| C02 | C22 | S23 | C24 | 113.6° | 120.0° |
| C02 | C22 | S23 | H221 | 117.3° | 120.0° |
| C02 | C22 | C24 | H221 | 123.9° | 120.0° |
| C02 | C22 | C24 | C25 | 162.1° | 175.0° |
| C02 | C22 | C24 | H242 | 77.3° | 65.0° |
| C02 | C22 | C24 | H241 | 41.5° | 55.0° |
| C22 | C02 | N03 | H031 | 1.3° | 0.3° |
| C02 | C22 | S23 | H231 | 24.7° | 60.0° |
| S23 | C22 | C24 | H221 | 127.5° | 120.0° |
| S23 | C22 | C24 | C25 | 89.3° | 65.0° |
| S23 | C22 | C24 | H242 | 31.3° | 55.0° |
| S23 | C22 | C24 | H241 | 150.1° | 175.0° |
| C22 | C24 | C25 | H242 | 120.6° | 120.0° |
| C22 | C24 | C25 | H241 | 120.6° | 120.0° |
| C22 | C24 | C25 | C26 | 76.5° | 89.8° |
| C22 | C24 | C25 | C30 | 102.5° | 90.0° |
| C22 | C24 | H242 | H241 | 118.2° | 120.0° |
| C24 | C22 | S23 | H231 | 88.8° | 60.0° |
| C24 | C25 | C26 | C30 | 179.0° | 179.8° |
| C24 | C25 | C26 | C27 | 179.4° | 180.0° |
| C24 | C25 | C30 | C29 | 180.0° | 179.7° |
| C25 | C24 | C22 | H221 | 38.2° | 55.0° |
| C25 | C24 | H242 | H241 | 118.2° | 120.0° |
| C24 | C25 | C26 | H261 | 0.6° | 0.0° |
| C24 | C25 | C30 | H301 | 0.1° | 0.1° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.1° | 0.0° |
| C26 | C25 | C30 | C29 | 1.1° | 0.5° |
| C26 | C25 | C24 | H242 | 163.0° | 150.2° |
| C26 | C25 | C24 | H241 | 44.1° | 30.3° |
| C25 | C26 | C27 | H271 | 178.9° | 180.0° |
| C26 | C25 | C30 | H301 | 178.9° | 179.7° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C27 | C26 | C25 | C30 | 1.6° | 0.2° |
| C26 | C27 | C28 | H281 | 180.0° | 180.0° |
| C27 | C28 | C29 | H281 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.6° | 0.3° |
| C28 | C27 | C26 | H261 | 178.9° | 180.0° |
| C27 | C28 | C29 | H291 | 179.4° | 180.0° |
| C28 | C29 | C30 | H291 | 180.0° | 179.7° |
| C28 | C29 | C30 | C25 | 0.0° | 0.6° |
| C29 | C28 | C27 | H271 | 180.0° | 179.9° |
| C28 | C29 | C30 | H301 | 180.0° | 179.7° |
| C29 | C30 | C25 | H301 | 180.0° | 179.7° |
| C30 | C29 | C28 | H281 | 179.4° | 179.7° |
| N06 | C13 | C14 | C20 | 19.1° | 16.2° |
| C13 | N06 | C07 | H071 | 103.0° | 142.9° |
| N06 | C13 | C12 | H122 | 144.0° | 96.2° |
| N06 | C13 | C12 | H121 | 94.5° | 140.7° |
| C20 | C14 | C13 | H131 | 142.7° | 137.3° |
| C20 | C14 | C15 | H151 | 179.6° | 179.7° |
| C14 | C20 | C19 | H191 | 179.2° | 179.7° |
| C30 | C25 | C24 | H242 | 18.1° | 30.0° |
| C30 | C25 | C24 | H241 | 136.9° | 150.0° |
| C30 | C25 | C26 | H261 | 178.4° | 179.8° |
| C25 | C30 | C29 | H291 | 180.0° | 179.7° |
| H042 | C04 | N03 | H031 | 127.6° | 120.0° |
| H041 | C04 | N03 | H031 | 8.7° | 120.0° |
| H071 | C07 | C11 | H112 | 150.0° | 86.1° |
| H071 | C07 | C11 | H111 | 27.8° | 37.7° |
| H112 | C11 | C12 | H122 | 34.3° | 35.2° |
| H112 | C11 | C12 | H121 | 155.7° | 87.9° |
| H111 | C11 | C12 | H122 | 87.9° | 159.0° |
| H111 | C11 | C12 | H121 | 33.5° | 35.9° |
| H122 | C12 | C13 | H131 | 100.3° | 144.4° |
| H121 | C12 | C13 | H131 | 21.2° | 21.2° |
| H151 | C15 | C16 | H161 | 1.4° | 0.0° |
| H183 | C18 | H182 | H181 | 120.0° | 120.1° |
| H191 | C19 | C20 | H201 | 0.8° | 0.0° |
| H221 | C22 | C24 | H242 | 158.8° | 175.0° |
| H221 | C22 | C24 | H241 | 82.3° | 65.0° |
| H221 | C22 | S23 | H231 | 142.0° | 180.0° |
| H261 | C26 | C27 | H271 | 1.0° | 0.0° |
| H271 | C27 | C28 | H281 | 0.1° | 0.0° |
| H281 | C28 | C29 | H291 | 0.6° | 0.1° |
| H291 | C29 | C30 | H301 | 0.0° | 0.0° |
