A1BHJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.22Å | 1.27Å | |
| C02 | O04 | sing | 1.35Å | 1.29Å | |
| C02 | C01 | sing | 1.46Å | 1.52Å | |
| C05 | C01 | doub | 1.35Å | 1.37Å | |
| C05 | C06 | sing | 1.47Å | 1.49Å | |
| C10 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.38Å | Aromatic |
| F12 | C11 | sing | 1.35Å | 1.31Å | |
| C11 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.57Å | 1.55Å | |
| C22 | C19 | sing | 1.55Å | 1.56Å | |
| C23 | C20 | sing | 1.55Å | 1.55Å | |
| C23 | C21 | sing | 1.54Å | 1.55Å | |
| C07 | C08 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.55Å | 1.55Å | |
| C13 | C08 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.56Å | |
| C08 | F09 | sing | 1.35Å | 1.30Å | |
| C19 | C21 | sing | 1.54Å | 1.56Å | |
| C19 | N15 | sing | 1.47Å | 1.48Å | |
| C14 | N15 | sing | 1.47Å | 1.49Å | |
| C14 | C24 | sing | 1.51Å | 1.55Å | |
| N15 | C16 | sing | 1.47Å | 1.53Å | |
| C24 | N25 | sing | 1.37Å | 1.40Å | Aromatic |
| C24 | C28 | doub | 1.35Å | 1.38Å | Aromatic |
| N25 | C26 | sing | 1.37Å | 1.40Å | Aromatic |
| C18 | C16 | sing | 1.53Å | 1.60Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C28 | C17 | sing | 1.51Å | 1.48Å | |
| C28 | C29 | sing | 1.45Å | 1.45Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.43Å | Aromatic |
| C26 | C29 | sing | 1.42Å | 1.40Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.37Å | 1.39Å | Aromatic |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | O04 | 122.5° | 120.0° |
| O03 | C02 | C01 | 123.4° | 120.0° |
| O04 | C02 | C01 | 114.1° | 120.0° |
| C02 | O04 | H2 | 109.5° | 114.0° |
| C02 | C01 | C05 | 120.5° | 120.0° |
| C02 | C01 | H011 | 119.7° | 120.0° |
| C01 | C05 | C06 | 122.2° | 120.0° |
| C05 | C01 | H011 | 119.7° | 120.0° |
| C01 | C05 | H051 | 118.9° | 120.0° |
| C05 | C06 | C10 | 113.2° | 120.1° |
| C05 | C06 | C07 | 129.4° | 120.1° |
| C06 | C05 | H051 | 118.9° | 120.0° |
| C06 | C10 | C11 | 122.0° | 119.8° |
| C10 | C06 | C07 | 117.3° | 119.7° |
| C06 | C10 | H101 | 119.0° | 120.1° |
| C10 | C11 | F12 | 117.1° | 119.9° |
| C10 | C11 | C13 | 122.4° | 120.2° |
| C11 | C10 | H101 | 119.0° | 120.1° |
| C06 | C07 | C08 | 120.5° | 119.8° |
| C06 | C07 | H071 | 119.8° | 120.0° |
| F12 | C11 | C13 | 120.5° | 119.9° |
| C11 | C13 | C08 | 113.9° | 120.3° |
| C11 | C13 | C14 | 125.1° | 119.9° |
| C23 | C22 | C19 | 75.0° | 77.9° |
| C22 | C23 | C20 | 86.8° | 83.8° |
| C22 | C23 | C21 | 87.1° | 83.8° |
| C23 | C22 | H221 | 117.2° | 115.0° |
| C23 | C22 | H222 | 117.3° | 115.0° |
| C22 | C23 | H231 | 127.4° | 129.1° |
| C22 | C19 | C20 | 86.3° | 84.5° |
| C22 | C19 | C21 | 86.3° | 84.5° |
| C22 | C19 | N15 | 132.4° | 129.1° |
| C19 | C22 | H221 | 117.2° | 115.8° |
| C19 | C22 | H222 | 117.2° | 114.6° |
| C20 | C23 | C21 | 86.6° | 84.5° |
| C23 | C20 | C19 | 75.6° | 78.6° |
| C23 | C20 | H201 | 117.1° | 115.0° |
| C23 | C20 | H202 | 117.1° | 115.1° |
| C20 | C23 | H231 | 127.6° | 129.1° |
| C23 | C21 | C19 | 75.3° | 78.9° |
| C23 | C21 | H212 | 117.2° | 113.8° |
| C23 | C21 | H211 | 117.2° | 116.1° |
| C21 | C23 | H231 | 127.5° | 130.0° |
| C07 | C08 | C13 | 123.9° | 120.2° |
| C07 | C08 | F09 | 114.5° | 119.9° |
| C08 | C07 | H071 | 119.8° | 120.1° |
| C20 | C19 | C21 | 86.2° | 84.5° |
| C20 | C19 | N15 | 123.9° | 129.1° |
| C19 | C20 | H201 | 117.1° | 114.9° |
| C19 | C20 | H202 | 117.1° | 115.0° |
| C08 | C13 | C14 | 120.9° | 119.9° |
| C13 | C08 | F09 | 121.6° | 119.9° |
| C13 | C14 | N15 | 106.5° | 109.7° |
| C13 | C14 | C24 | 110.5° | 109.7° |
| C13 | C14 | H141 | 109.9° | 109.6° |
| C21 | C19 | N15 | 126.9° | 129.0° |
| C19 | C21 | H212 | 117.2° | 114.9° |
| C19 | C21 | H211 | 117.2° | 114.9° |
| C19 | N15 | C14 | 113.2° | 111.0° |
| C19 | N15 | C16 | 109.2° | 111.0° |
| N15 | C14 | C24 | 109.2° | 108.5° |
| C14 | N15 | C16 | 109.1° | 111.4° |
| N15 | C14 | H141 | 110.8° | 109.6° |
| C14 | C24 | N25 | 129.1° | 127.2° |
| C14 | C24 | C28 | 123.0° | 123.1° |
| C24 | C14 | H141 | 110.0° | 109.8° |
| N15 | C16 | C18 | 112.8° | 109.4° |
| N15 | C16 | C17 | 107.6° | 109.5° |
| N15 | C16 | H161 | 108.9° | 109.5° |
| N25 | C24 | C28 | 107.9° | 109.7° |
| C24 | N25 | C26 | 109.6° | 109.8° |
| C24 | N25 | H251 | 125.2° | 125.1° |
| C24 | C28 | C17 | 120.1° | 123.4° |
| C24 | C28 | C29 | 108.0° | 107.2° |
| N25 | C26 | C27 | 131.5° | 132.0° |
| N25 | C26 | C29 | 107.3° | 107.3° |
| C26 | N25 | H251 | 125.2° | 125.1° |
| C18 | C16 | C17 | 110.3° | 109.4° |
| C18 | C16 | H161 | 108.1° | 109.5° |
| C16 | C18 | H183 | 109.5° | 109.5° |
| C16 | C18 | H182 | 109.4° | 109.5° |
| C16 | C18 | H181 | 109.5° | 109.5° |
| C16 | C17 | C28 | 114.5° | 108.0° |
| C17 | C16 | H161 | 109.0° | 109.5° |
| C16 | C17 | H171 | 108.2° | 109.8° |
| C16 | C17 | H172 | 108.2° | 109.7° |
| C17 | C28 | C29 | 131.9° | 129.4° |
| C28 | C17 | H171 | 108.2° | 109.7° |
| C28 | C17 | H172 | 108.2° | 109.8° |
| C28 | C29 | C26 | 107.2° | 105.9° |
| C28 | C29 | C30 | 135.5° | 132.9° |
| C27 | C26 | C29 | 121.2° | 120.6° |
| C26 | C27 | C32 | 119.7° | 116.9° |
| C26 | C27 | H271 | 120.2° | 121.6° |
| C26 | C29 | C30 | 117.4° | 121.2° |
| C27 | C32 | C31 | 119.4° | 122.2° |
| C32 | C27 | H271 | 120.1° | 121.5° |
| C27 | C32 | H321 | 120.3° | 118.9° |
| C29 | C30 | C31 | 122.6° | 116.9° |
| C29 | C30 | H301 | 118.7° | 121.6° |
| C32 | C31 | C30 | 119.7° | 122.1° |
| C32 | C31 | H311 | 120.1° | 119.0° |
| C31 | C32 | H321 | 120.3° | 118.9° |
| C31 | C30 | H301 | 118.7° | 121.5° |
| C30 | C31 | H311 | 120.2° | 118.9° |
| H171 | C17 | H172 | 109.5° | 109.8° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 113.8° |
| H212 | C21 | H211 | 109.4° | 113.8° |
| H221 | C22 | H222 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | O04 | C01 | 179.7° | 179.9° |
| O03 | C02 | C01 | C05 | 10.3° | 0.1° |
| O03 | C02 | C01 | H011 | 169.7° | 180.0° |
| O03 | C02 | O04 | H2 | 0.0° | 0.1° |
| O04 | C02 | C01 | C05 | 169.4° | 180.0° |
| O04 | C02 | C01 | H011 | 10.6° | 0.1° |
| C02 | C01 | C05 | H011 | 180.0° | 179.9° |
| C02 | C01 | C05 | C06 | 179.7° | 180.0° |
| C02 | C01 | C05 | H051 | 0.3° | 0.1° |
| C01 | C02 | O04 | H2 | 179.7° | 180.0° |
| C01 | C05 | C06 | H051 | 180.0° | 179.9° |
| C01 | C05 | C06 | C10 | 155.8° | 0.0° |
| C01 | C05 | C06 | C07 | 23.9° | 179.9° |
| C05 | C06 | C10 | C07 | 179.7° | 180.0° |
| C05 | C06 | C10 | C11 | 179.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.5° | 180.0° |
| C06 | C05 | C01 | H011 | 0.3° | 0.1° |
| C05 | C06 | C07 | H071 | 0.5° | 0.1° |
| C05 | C06 | C10 | H101 | 1.0° | 0.0° |
| C06 | C10 | C11 | H101 | 180.0° | 180.0° |
| C06 | C10 | C11 | F12 | 179.9° | 179.7° |
| C06 | C10 | C11 | C13 | 0.8° | 0.0° |
| C10 | C06 | C07 | C08 | 0.2° | 0.0° |
| C10 | C06 | C05 | H051 | 24.2° | 179.9° |
| C10 | C06 | C07 | H071 | 179.8° | 179.9° |
| C11 | C10 | C06 | C07 | 0.7° | 0.0° |
| C10 | C11 | F12 | C13 | 179.4° | 179.7° |
| C10 | C11 | C13 | C08 | 0.2° | 0.0° |
| C10 | C11 | C13 | C14 | 178.5° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C13 | 0.4° | 0.0° |
| C06 | C07 | C08 | F09 | 180.0° | 180.0° |
| C07 | C06 | C05 | H051 | 156.1° | 0.1° |
| C07 | C06 | C10 | H101 | 179.2° | 180.0° |
| F12 | C11 | C13 | C08 | 179.5° | 179.7° |
| F12 | C11 | C13 | C14 | 0.8° | 0.3° |
| F12 | C11 | C10 | H101 | 0.2° | 0.3° |
| C11 | C13 | C08 | C07 | 0.3° | 0.0° |
| C11 | C13 | C08 | C14 | 178.8° | 180.0° |
| C11 | C13 | C08 | F09 | 180.0° | 180.0° |
| C11 | C13 | C14 | N15 | 119.2° | 135.0° |
| C11 | C13 | C14 | C24 | 122.4° | 106.0° |
| C11 | C13 | C14 | H141 | 0.9° | 14.7° |
| C13 | C11 | C10 | H101 | 179.2° | 180.0° |
| C23 | C22 | C19 | H221 | 113.3° | 112.1° |
| C23 | C22 | C19 | H222 | 113.3° | 112.2° |
| C22 | C23 | C20 | C21 | 87.2° | 84.3° |
| C22 | C23 | C20 | H231 | 136.4° | 136.8° |
| C22 | C23 | C21 | H231 | 136.6° | 137.4° |
| C23 | C22 | C19 | C20 | 43.2° | 42.6° |
| C23 | C22 | C19 | C21 | 43.2° | 42.4° |
| C23 | C22 | C19 | N15 | 177.5° | 179.8° |
| C22 | C23 | C20 | H201 | 157.1° | 69.8° |
| C22 | C23 | C20 | H202 | 69.8° | 154.9° |
| C22 | C23 | C21 | H212 | 69.7° | 155.0° |
| C22 | C23 | C21 | H211 | 157.0° | 70.0° |
| C23 | C22 | H221 | H222 | 136.8° | 135.7° |
| C22 | C19 | C20 | C21 | 86.5° | 85.0° |
| C22 | C19 | C20 | N15 | 140.5° | 137.7° |
| C22 | C19 | C21 | N15 | 142.9° | 137.5° |
| C22 | C19 | N15 | C14 | 18.9° | 60.1° |
| C22 | C19 | N15 | C16 | 102.9° | 64.4° |
| C22 | C19 | C20 | H201 | 156.7° | 69.2° |
| C22 | C19 | C20 | H202 | 70.2° | 155.7° |
| C22 | C19 | C21 | H212 | 70.1° | 154.3° |
| C22 | C19 | C21 | H211 | 156.6° | 70.7° |
| C19 | C22 | H221 | H222 | 136.8° | 136.0° |
| C19 | C22 | C23 | H231 | 179.8° | 179.5° |
| C20 | C23 | C21 | H231 | 136.4° | 138.3° |
| C23 | C20 | C19 | H201 | 113.4° | 112.4° |
| C23 | C20 | C19 | H202 | 113.4° | 112.5° |
| C20 | C23 | C21 | C19 | 43.3° | 41.9° |
| C23 | C20 | C19 | N15 | 176.2° | 179.2° |
| C23 | C20 | H201 | H202 | 136.5° | 135.8° |
| C20 | C23 | C21 | H212 | 156.7° | 70.6° |
| C20 | C23 | C21 | H211 | 70.1° | 154.4° |
| C20 | C23 | C22 | H221 | 70.0° | 155.7° |
| C20 | C23 | C22 | H222 | 156.6° | 69.1° |
| C23 | C21 | C19 | H212 | 113.4° | 111.2° |
| C23 | C21 | C19 | H211 | 113.4° | 113.8° |
| C23 | C21 | C19 | N15 | 173.8° | 179.4° |
| C21 | C23 | C20 | H201 | 69.9° | 154.1° |
| C21 | C23 | C20 | H202 | 157.0° | 70.6° |
| C23 | C21 | H212 | H211 | 136.6° | 136.1° |
| C21 | C23 | C22 | H221 | 156.8° | 70.6° |
| C21 | C23 | C22 | H222 | 69.8° | 154.2° |
| C07 | C08 | C13 | F09 | 179.6° | 180.0° |
| C07 | C08 | C13 | C14 | 179.1° | 180.0° |
| C20 | C19 | C21 | N15 | 130.5° | 137.5° |
| C20 | C19 | N15 | C14 | 101.8° | 60.1° |
| C20 | C19 | N15 | C16 | 136.5° | 175.4° |
| C19 | C20 | H201 | H202 | 136.5° | 135.6° |
| C20 | C19 | C21 | H212 | 156.6° | 69.3° |
| C20 | C19 | C21 | H211 | 70.1° | 155.7° |
| C20 | C19 | C22 | H221 | 70.1° | 154.6° |
| C20 | C19 | C22 | H222 | 156.5° | 69.6° |
| C19 | C20 | C23 | H231 | 179.9° | 179.3° |
| C08 | C13 | C14 | N15 | 59.5° | 45.0° |
| C08 | C13 | C14 | C24 | 59.0° | 74.0° |
| C08 | C13 | C14 | H141 | 179.5° | 165.4° |
| C13 | C08 | C07 | H071 | 179.6° | 179.9° |
| C14 | C13 | C08 | F09 | 1.3° | 0.0° |
| C13 | C14 | N15 | C19 | 65.0° | 64.4° |
| C13 | C14 | N15 | C24 | 119.4° | 119.8° |
| C13 | C14 | N15 | H141 | 119.4° | 120.4° |
| C13 | C14 | C24 | H141 | 121.4° | 120.5° |
| C13 | C14 | N15 | C16 | 173.2° | 171.4° |
| C13 | C14 | C24 | N25 | 41.8° | 43.4° |
| C13 | C14 | C24 | C28 | 135.8° | 136.5° |
| F09 | C08 | C07 | H071 | 0.0° | 0.1° |
| C21 | C19 | N15 | C14 | 144.2° | 180.0° |
| C21 | C19 | N15 | C16 | 22.5° | 55.5° |
| C21 | C19 | C20 | H201 | 70.2° | 154.2° |
| C21 | C19 | C20 | H202 | 156.7° | 70.8° |
| C19 | C21 | H212 | H211 | 136.6° | 135.5° |
| C21 | C19 | C22 | H221 | 156.5° | 69.7° |
| C21 | C19 | C22 | H222 | 70.1° | 154.6° |
| C19 | C21 | C23 | H231 | 179.8° | 179.8° |
| C19 | N15 | C14 | C16 | 121.7° | 124.2° |
| C19 | N15 | C14 | C24 | 175.6° | 175.9° |
| C19 | N15 | C16 | C18 | 71.7° | 75.6° |
| C19 | N15 | C16 | C17 | 166.4° | 164.5° |
| C19 | N15 | C14 | H141 | 54.4° | 56.0° |
| C19 | N15 | C16 | H161 | 48.3° | 44.5° |
| N15 | C19 | C20 | H201 | 62.8° | 68.4° |
| N15 | C19 | C20 | H202 | 70.3° | 66.6° |
| N15 | C19 | C21 | H212 | 72.8° | 68.2° |
| N15 | C19 | C21 | H211 | 60.4° | 66.8° |
| N15 | C19 | C22 | H221 | 64.3° | 67.7° |
| N15 | C19 | C22 | H222 | 69.2° | 68.0° |
| N15 | C14 | C24 | H141 | 121.7° | 119.7° |
| N15 | C14 | C24 | N25 | 158.7° | 163.2° |
| N15 | C14 | C24 | C28 | 19.0° | 16.7° |
| C14 | N15 | C16 | C18 | 52.4° | 48.7° |
| C14 | N15 | C16 | C17 | 69.5° | 71.3° |
| C14 | N15 | C16 | H161 | 172.4° | 168.7° |
| C24 | C14 | N15 | C16 | 53.9° | 51.6° |
| C14 | C24 | N25 | C28 | 178.0° | 179.9° |
| C14 | C24 | N25 | C26 | 178.5° | 179.8° |
| C14 | C24 | C28 | C17 | 2.2° | 0.2° |
| C14 | C24 | C28 | C29 | 178.7° | 179.8° |
| C14 | C24 | N25 | H251 | 1.6° | 0.2° |
| N15 | C16 | C18 | C17 | 120.4° | 120.0° |
| N15 | C16 | C18 | H161 | 120.5° | 120.0° |
| N15 | C16 | C17 | H161 | 118.0° | 120.0° |
| N15 | C16 | C17 | C28 | 47.0° | 48.9° |
| C16 | N15 | C14 | H141 | 67.4° | 68.2° |
| N15 | C16 | C17 | H171 | 167.7° | 168.5° |
| N15 | C16 | C17 | H172 | 73.7° | 70.8° |
| N15 | C16 | C18 | H183 | 180.0° | 60.0° |
| N15 | C16 | C18 | H182 | 60.0° | 60.0° |
| N15 | C16 | C18 | H181 | 60.0° | 179.9° |
| C24 | N25 | C26 | H251 | 180.0° | 179.9° |
| N25 | C24 | C28 | C17 | 179.7° | 179.9° |
| N25 | C24 | C28 | C29 | 0.6° | 0.1° |
| C24 | N25 | C26 | C27 | 179.6° | 179.9° |
| C24 | N25 | C26 | C29 | 0.2° | 0.1° |
| N25 | C24 | C14 | H141 | 79.6° | 77.1° |
| C28 | C24 | N25 | C26 | 0.5° | 0.1° |
| C24 | C28 | C17 | C16 | 12.8° | 15.6° |
| C24 | C28 | C17 | C29 | 178.9° | 180.0° |
| C24 | C28 | C29 | C26 | 0.4° | 0.0° |
| C24 | C28 | C29 | C30 | 179.2° | 180.0° |
| C28 | C24 | C14 | H141 | 102.7° | 103.0° |
| C24 | C28 | C17 | H171 | 133.5° | 135.3° |
| C24 | C28 | C17 | H172 | 108.0° | 104.0° |
| C28 | C24 | N25 | H251 | 179.5° | 179.9° |
| N25 | C26 | C29 | C28 | 0.1° | 0.1° |
| N25 | C26 | C27 | C29 | 179.7° | 180.0° |
| N25 | C26 | C27 | C32 | 179.7° | 179.9° |
| N25 | C26 | C29 | C30 | 179.6° | 180.0° |
| N25 | C26 | C27 | H271 | 0.2° | 0.0° |
| C18 | C16 | C17 | H161 | 118.5° | 120.0° |
| C18 | C16 | C17 | C28 | 76.5° | 71.1° |
| C18 | C16 | C17 | H171 | 44.3° | 48.5° |
| C18 | C16 | C17 | H172 | 162.8° | 169.3° |
| C16 | C18 | H183 | H182 | 120.0° | 120.0° |
| C16 | C18 | H183 | H181 | 120.0° | 120.0° |
| C16 | C18 | H182 | H181 | 120.0° | 120.0° |
| C16 | C17 | C28 | H171 | 120.7° | 119.7° |
| C16 | C17 | C28 | H172 | 120.7° | 119.6° |
| C16 | C17 | C28 | C29 | 166.1° | 164.4° |
| C16 | C17 | H171 | H172 | 117.7° | 120.7° |
| C17 | C16 | C18 | H183 | 59.6° | 60.0° |
| C17 | C16 | C18 | H182 | 60.4° | 180.0° |
| C17 | C16 | C18 | H181 | 179.6° | 60.0° |
| C17 | C28 | C29 | C26 | 179.4° | 179.9° |
| C17 | C28 | C29 | C30 | 0.2° | 0.1° |
| C28 | C17 | C16 | H161 | 165.0° | 168.9° |
| C28 | C17 | H171 | H172 | 117.7° | 120.7° |
| C28 | C29 | C26 | C27 | 179.9° | 179.9° |
| C28 | C29 | C26 | C30 | 179.7° | 180.0° |
| C28 | C29 | C30 | C31 | 179.9° | 180.0° |
| C29 | C28 | C17 | H171 | 45.4° | 44.7° |
| C29 | C28 | C17 | H172 | 73.2° | 76.1° |
| C28 | C29 | C30 | H301 | 0.1° | 0.1° |
| C26 | C27 | C32 | H271 | 180.0° | 180.0° |
| C27 | C26 | C29 | C30 | 0.2° | 0.1° |
| C26 | C27 | C32 | C31 | 0.1° | 0.1° |
| C26 | C27 | C32 | H321 | 179.9° | 180.0° |
| C27 | C26 | N25 | H251 | 0.4° | 0.1° |
| C29 | C26 | C27 | C32 | 0.0° | 0.1° |
| C26 | C29 | C30 | C31 | 0.3° | 0.0° |
| C29 | C26 | C27 | H271 | 180.0° | 180.0° |
| C26 | C29 | C30 | H301 | 179.8° | 179.9° |
| C29 | C26 | N25 | H251 | 179.8° | 179.9° |
| C27 | C32 | C31 | H321 | 180.0° | 179.9° |
| C27 | C32 | C31 | C30 | 0.1° | 0.0° |
| C27 | C32 | C31 | H311 | 179.9° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | H311 | 179.8° | 180.0° |
| C32 | C31 | C30 | H311 | 180.0° | 180.0° |
| C31 | C32 | C27 | H271 | 179.9° | 180.0° |
| C32 | C31 | C30 | H301 | 179.9° | 180.0° |
| C30 | C31 | C32 | H321 | 179.9° | 179.9° |
| H161 | C16 | C17 | H171 | 74.3° | 71.5° |
| H161 | C16 | C17 | H172 | 44.2° | 49.3° |
| H161 | C16 | C18 | H183 | 59.5° | 180.0° |
| H161 | C16 | C18 | H182 | 179.5° | 60.0° |
| H161 | C16 | C18 | H181 | 60.5° | 60.0° |
| H183 | C18 | H182 | H181 | 120.0° | 120.0° |
| H201 | C20 | C23 | H231 | 66.5° | 67.0° |
| H202 | C20 | C23 | H231 | 66.6° | 68.3° |
| H212 | C21 | C23 | H231 | 66.9° | 67.7° |
| H211 | C21 | C23 | H231 | 66.4° | 67.4° |
| H221 | C22 | C23 | H231 | 66.5° | 67.4° |
| H222 | C22 | C23 | H231 | 66.9° | 67.8° |
| H271 | C27 | C32 | H321 | 0.2° | 0.1° |
| H301 | C30 | C31 | H311 | 0.1° | 0.1° |
| H011 | C01 | C05 | H051 | 179.7° | NaN° |
| H311 | C31 | C32 | H321 | 0.1° | 0.0° |
