571
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C15 | doub | 1.31Å | 1.48Å | |
| N1 | C16 | sing | 1.47Å | 1.51Å | |
| N1 | C25 | sing | 1.34Å | 1.40Å | |
| N2 | N4 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C13 | sing | 1.33Å | 1.27Å | Aromatic |
| C3 | N4 | doub | 1.31Å | 1.28Å | Aromatic |
| C3 | N5 | sing | 1.40Å | 1.46Å | |
| C3 | C14 | sing | 1.47Å | 1.44Å | Aromatic |
| N5 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | C7 | sing | 1.47Å | 1.45Å | |
| C6 | O8 | doub | 1.22Å | 1.23Å | |
| C7 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C24 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C24 | doub | 1.39Å | 1.44Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.31Å | Aromatic |
| C13 | C16 | sing | 1.51Å | 1.48Å | |
| C14 | C15 | sing | 1.41Å | 1.46Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| N17 | C22 | sing | 1.47Å | 1.47Å | |
| N17 | C24 | sing | 1.39Å | 1.41Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| N20 | C21 | sing | 1.47Å | 1.44Å | |
| N20 | C23 | sing | 1.47Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| C25 | C20 | sing | 1.51Å | 1.54Å | |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C27 | C20 | sing | 1.51Å | 1.53Å | |
| C28 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | O34 | sing | 1.43Å | 1.40Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N1 | C16 | 115.8° | 108.5° |
| C15 | N1 | C25 | 122.1° | 125.8° |
| N1 | C15 | C14 | 98.2° | 112.1° |
| N1 | C15 | H15 | 130.9° | 123.9° |
| C16 | N1 | C25 | 122.0° | 125.8° |
| N1 | C16 | C13 | 96.5° | 104.9° |
| N1 | C16 | H161 | 114.1° | 110.4° |
| N1 | C16 | H162 | 116.6° | 110.4° |
| N1 | C25 | O26 | 119.6° | 120.0° |
| N1 | C25 | C20 | 121.3° | 120.0° |
| N4 | N2 | C13 | 107.2° | 109.8° |
| N2 | N4 | C3 | 109.9° | 109.3° |
| N4 | N2 | H2 | 126.4° | 125.1° |
| N2 | C13 | C14 | 111.0° | 108.0° |
| N2 | C13 | C16 | 134.0° | 146.6° |
| C13 | N2 | H2 | 126.4° | 125.1° |
| N4 | C3 | N5 | 123.1° | 126.5° |
| N4 | C3 | C14 | 104.7° | 107.0° |
| N5 | C3 | C14 | 132.3° | 126.5° |
| C3 | N5 | C6 | 128.5° | 120.0° |
| C3 | N5 | H5 | 115.7° | 120.0° |
| C3 | C14 | C13 | 107.3° | 105.9° |
| C3 | C14 | C15 | 138.3° | 144.9° |
| N5 | C6 | C7 | 120.3° | 120.0° |
| N5 | C6 | O8 | 120.7° | 120.0° |
| C6 | N5 | H5 | 115.8° | 120.0° |
| C7 | C6 | O8 | 119.0° | 120.0° |
| C6 | C7 | C9 | 119.7° | 120.1° |
| C6 | C7 | C12 | 119.8° | 120.1° |
| C9 | C7 | C12 | 120.5° | 119.8° |
| C7 | C9 | C10 | 120.0° | 120.0° |
| C7 | C9 | H9 | 120.0° | 120.0° |
| C7 | C12 | C11 | 119.8° | 120.0° |
| C7 | C12 | H12 | 120.1° | 120.0° |
| C9 | C10 | C24 | 119.7° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | H10 | 120.2° | 120.0° |
| C10 | C24 | C11 | 119.6° | 120.1° |
| C10 | C24 | N17 | 120.5° | 119.9° |
| C24 | C10 | H10 | 120.1° | 120.0° |
| C12 | C11 | C24 | 120.4° | 120.1° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C24 | N17 | 120.0° | 120.0° |
| C24 | C11 | H11 | 119.8° | 119.9° |
| C14 | C13 | C16 | 115.0° | 105.4° |
| C13 | C14 | C15 | 114.4° | 109.2° |
| C13 | C16 | H161 | 114.0° | 110.4° |
| C13 | C16 | H162 | 116.6° | 110.3° |
| C14 | C15 | H15 | 130.9° | 124.0° |
| C18 | N17 | C22 | 119.5° | 110.9° |
| C18 | N17 | C24 | 120.9° | 111.0° |
| N17 | C18 | C19 | 113.7° | 109.4° |
| N17 | C18 | H181 | 108.1° | 109.4° |
| N17 | C18 | H182 | 107.1° | 109.5° |
| C22 | N17 | C24 | 119.6° | 111.0° |
| N17 | C22 | C21 | 112.6° | 109.4° |
| N17 | C22 | H221 | 108.4° | 109.5° |
| N17 | C22 | H222 | 107.7° | 109.5° |
| C18 | C19 | N20 | 113.5° | 109.4° |
| C19 | C18 | H181 | 108.1° | 109.5° |
| C19 | C18 | H182 | 107.1° | 109.5° |
| C18 | C19 | H191 | 108.2° | 109.5° |
| C18 | C19 | H192 | 107.2° | 109.4° |
| C19 | N20 | C21 | 121.4° | 110.9° |
| C19 | N20 | C23 | 119.4° | 111.0° |
| N20 | C19 | H191 | 108.1° | 109.5° |
| N20 | C19 | H192 | 107.2° | 109.5° |
| C21 | N20 | C23 | 119.1° | 111.1° |
| N20 | C21 | C22 | 111.8° | 109.4° |
| N20 | C21 | H211 | 108.7° | 109.5° |
| N20 | C21 | H212 | 108.2° | 109.5° |
| N20 | C23 | H231 | 109.5° | 109.5° |
| N20 | C23 | H232 | 109.5° | 109.4° |
| N20 | C23 | H233 | 109.5° | 109.5° |
| C21 | C22 | H221 | 108.5° | 109.5° |
| C21 | C22 | H222 | 107.7° | 109.5° |
| C22 | C21 | H211 | 108.7° | 109.5° |
| C22 | C21 | H212 | 108.2° | 109.5° |
| O26 | C25 | C20 | 119.0° | 120.0° |
| C25 | C20 | C27 | 110.3° | 109.5° |
| C25 | C20 | O34 | 110.5° | 109.5° |
| C25 | C20 | H20 | 108.1° | 109.5° |
| C28 | C27 | C29 | 119.6° | 120.0° |
| C28 | C27 | C20 | 118.9° | 120.0° |
| C27 | C28 | C31 | 119.8° | 120.0° |
| C27 | C28 | H28 | 120.1° | 120.0° |
| C29 | C27 | C20 | 121.5° | 120.0° |
| C27 | C29 | C33 | 120.6° | 120.0° |
| C27 | C29 | H29 | 119.7° | 120.0° |
| C27 | C20 | O34 | 109.0° | 109.5° |
| C27 | C20 | H20 | 109.6° | 109.5° |
| C28 | C31 | C35 | 120.3° | 120.0° |
| C31 | C28 | H28 | 120.1° | 120.0° |
| C28 | C31 | H31 | 119.9° | 120.0° |
| C29 | C33 | C35 | 119.8° | 120.0° |
| C33 | C29 | H29 | 119.7° | 120.0° |
| C29 | C33 | H33 | 120.1° | 120.0° |
| C31 | C35 | C33 | 119.9° | 120.0° |
| C35 | C31 | H31 | 119.9° | 120.1° |
| C31 | C35 | H35 | 120.1° | 120.0° |
| C35 | C33 | H33 | 120.1° | 120.0° |
| C33 | C35 | H35 | 120.1° | 120.0° |
| O34 | C20 | H20 | 109.4° | 109.4° |
| C20 | O34 | H34 | 109.5° | 114.0° |
| H161 | C16 | H162 | 100.0° | 110.4° |
| H181 | C18 | H182 | 112.8° | 109.5° |
| H221 | C22 | H222 | 111.9° | 109.5° |
| H191 | C19 | H192 | 112.7° | 109.6° |
| H211 | C21 | H212 | 111.3° | 109.4° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N1 | C16 | C25 | 178.2° | 179.8° |
| N1 | C15 | C14 | C3 | 179.5° | 180.0° |
| N1 | C15 | C14 | C13 | 0.1° | 0.1° |
| C15 | N1 | C16 | C13 | 0.5° | 0.0° |
| N1 | C15 | C14 | H15 | 180.0° | 179.9° |
| C15 | N1 | C25 | O26 | 176.9° | 5.3° |
| C15 | N1 | C25 | C20 | 5.8° | 174.6° |
| C15 | N1 | C16 | H161 | 119.5° | 118.9° |
| C15 | N1 | C16 | H162 | 124.6° | 118.8° |
| N1 | C16 | C13 | N2 | 179.5° | 180.0° |
| N1 | C16 | C13 | C14 | 0.4° | 0.0° |
| N1 | C16 | C13 | H161 | 120.0° | 118.9° |
| N1 | C16 | C13 | H162 | 124.2° | 118.8° |
| C16 | N1 | C15 | C14 | 0.3° | 0.0° |
| C16 | N1 | C25 | O26 | 5.1° | 174.9° |
| C16 | N1 | C25 | C20 | 172.2° | 5.1° |
| C16 | N1 | C15 | H15 | 179.6° | 180.0° |
| N1 | C16 | H161 | H162 | 125.2° | 122.3° |
| C25 | N1 | C16 | C13 | 177.7° | 179.8° |
| C25 | N1 | C15 | C14 | 177.8° | 179.8° |
| N1 | C25 | O26 | C20 | 177.3° | 179.9° |
| N1 | C25 | C20 | C27 | 72.6° | 71.7° |
| N1 | C25 | C20 | O34 | 166.9° | 168.3° |
| C25 | N1 | C15 | H15 | 2.2° | 0.2° |
| C25 | N1 | C16 | H161 | 62.3° | 60.9° |
| C25 | N1 | C16 | H162 | 53.5° | 61.4° |
| N1 | C25 | C20 | H20 | 47.2° | 48.4° |
| N4 | N2 | C13 | H2 | 180.0° | 179.9° |
| N2 | N4 | C3 | N5 | 179.5° | 179.9° |
| N2 | N4 | C3 | C14 | 0.0° | 0.0° |
| N4 | N2 | C13 | C14 | 0.0° | 0.0° |
| N4 | N2 | C13 | C16 | 179.9° | 179.9° |
| C13 | N2 | N4 | C3 | 0.0° | 0.0° |
| N2 | C13 | C14 | C3 | 0.0° | 0.0° |
| N2 | C13 | C14 | C16 | 179.9° | 180.0° |
| N2 | C13 | C14 | C15 | 179.7° | 180.0° |
| N2 | C13 | C16 | H161 | 60.5° | 61.1° |
| N2 | C13 | C16 | H162 | 55.4° | 61.2° |
| N4 | C3 | N5 | C14 | 179.4° | 179.9° |
| N4 | C3 | N5 | C6 | 162.4° | 0.0° |
| N4 | C3 | C14 | C13 | 0.0° | 0.0° |
| N4 | C3 | C14 | C15 | 179.6° | 180.0° |
| C3 | N4 | N2 | H2 | 180.0° | 179.9° |
| N4 | C3 | N5 | H5 | 17.6° | 180.0° |
| C3 | N5 | C6 | H5 | 180.0° | 180.0° |
| C3 | N5 | C6 | C7 | 177.9° | 180.0° |
| C3 | N5 | C6 | O8 | 2.9° | 0.0° |
| N5 | C3 | C14 | C13 | 179.5° | 180.0° |
| N5 | C3 | C14 | C15 | 0.1° | 0.1° |
| C14 | C3 | N5 | C6 | 18.2° | 179.9° |
| C3 | C14 | C13 | C15 | 179.7° | 180.0° |
| C3 | C14 | C13 | C16 | 179.9° | 180.0° |
| C3 | C14 | C15 | H15 | 0.5° | 0.1° |
| C14 | C3 | N5 | H5 | 161.8° | 0.1° |
| N5 | C6 | C7 | O8 | 179.1° | 180.0° |
| N5 | C6 | C7 | C9 | 162.6° | 180.0° |
| N5 | C6 | C7 | C12 | 17.5° | 0.3° |
| C6 | C7 | C9 | C12 | 179.9° | 179.7° |
| C6 | C7 | C9 | C10 | 179.8° | 180.0° |
| C6 | C7 | C12 | C11 | 179.9° | 180.0° |
| C7 | C6 | N5 | H5 | 2.1° | 0.0° |
| C6 | C7 | C9 | H9 | 0.1° | 0.1° |
| C6 | C7 | C12 | H12 | 0.1° | 0.1° |
| O8 | C6 | C7 | C9 | 18.3° | 0.0° |
| O8 | C6 | C7 | C12 | 161.6° | 179.6° |
| O8 | C6 | N5 | H5 | 177.0° | 180.0° |
| C7 | C9 | C10 | H9 | 180.0° | 179.9° |
| C7 | C9 | C10 | C24 | 0.1° | 0.0° |
| C9 | C7 | C12 | C11 | 0.1° | 0.3° |
| C9 | C7 | C12 | H12 | 179.9° | 179.7° |
| C7 | C9 | C10 | H10 | 179.9° | 180.0° |
| C12 | C7 | C9 | C10 | 0.2° | 0.3° |
| C7 | C12 | C11 | H12 | 180.0° | 180.0° |
| C7 | C12 | C11 | C24 | 0.0° | 0.0° |
| C12 | C7 | C9 | H9 | 179.8° | 179.8° |
| C7 | C12 | C11 | H11 | 180.0° | 179.9° |
| C9 | C10 | C24 | H10 | 180.0° | 180.0° |
| C9 | C10 | C24 | C11 | 0.0° | 0.3° |
| C9 | C10 | C24 | N17 | 179.9° | 180.0° |
| C10 | C24 | C11 | C12 | 0.1° | 0.3° |
| C10 | C24 | C11 | N17 | 180.0° | 179.7° |
| C10 | C24 | N17 | C18 | 28.4° | 180.0° |
| C10 | C24 | N17 | C22 | 151.9° | 56.2° |
| C24 | C10 | C9 | H9 | 179.9° | 179.9° |
| C10 | C24 | C11 | H11 | 179.9° | 179.8° |
| C12 | C11 | C24 | H11 | 180.0° | 179.9° |
| C12 | C11 | C24 | N17 | 179.9° | 180.0° |
| C11 | C24 | N17 | C18 | 151.7° | 0.3° |
| C11 | C24 | N17 | C22 | 28.1° | 123.5° |
| C24 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C24 | C10 | H10 | 180.0° | 179.7° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C16 | H161 | 119.6° | 118.9° |
| C14 | C13 | C16 | H162 | 124.6° | 118.9° |
| C14 | C13 | N2 | H2 | 180.0° | 179.9° |
| C16 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C16 | H161 | H162 | 125.2° | 122.2° |
| C16 | C13 | N2 | H2 | 0.1° | 0.2° |
| C18 | N17 | C22 | C24 | 179.7° | 123.9° |
| N17 | C18 | C19 | H181 | 120.0° | 119.9° |
| N17 | C18 | C19 | H182 | 118.1° | 120.0° |
| N17 | C18 | C19 | N20 | 32.1° | 58.3° |
| C18 | N17 | C22 | C21 | 45.3° | 59.3° |
| N17 | C18 | H181 | H182 | 118.2° | 120.0° |
| C18 | N17 | C22 | H221 | 74.7° | 179.3° |
| C18 | N17 | C22 | H222 | 164.0° | 60.7° |
| N17 | C18 | C19 | H191 | 87.9° | 178.3° |
| N17 | C18 | C19 | H192 | 150.3° | 61.6° |
| C22 | N17 | C18 | C19 | 38.5° | 59.3° |
| N17 | C22 | C21 | N20 | 45.3° | 58.4° |
| N17 | C22 | C21 | H221 | 120.0° | 120.0° |
| N17 | C22 | C21 | H222 | 118.7° | 120.0° |
| C22 | N17 | C18 | H181 | 158.5° | 60.7° |
| C22 | N17 | C18 | H182 | 79.7° | 179.3° |
| N17 | C22 | H221 | H222 | 118.7° | 120.0° |
| N17 | C22 | C21 | H211 | 74.7° | 178.4° |
| N17 | C22 | C21 | H212 | 164.3° | 61.6° |
| C24 | N17 | C18 | C19 | 141.8° | 176.8° |
| C24 | N17 | C22 | C21 | 135.0° | 176.8° |
| N17 | C24 | C10 | H10 | 0.1° | 0.0° |
| N17 | C24 | C11 | H11 | 0.1° | 0.1° |
| C24 | N17 | C18 | H181 | 21.8° | 63.2° |
| C24 | N17 | C18 | H182 | 100.1° | 56.8° |
| C24 | N17 | C22 | H221 | 105.0° | 56.8° |
| C24 | N17 | C22 | H222 | 16.3° | 63.2° |
| C18 | C19 | N20 | H191 | 120.0° | 120.0° |
| C18 | C19 | N20 | H192 | 118.2° | 119.9° |
| C18 | C19 | N20 | C21 | 38.6° | 59.3° |
| C18 | C19 | N20 | C23 | 142.1° | 176.8° |
| C19 | C18 | H181 | H182 | 118.3° | 120.1° |
| C18 | C19 | H191 | H192 | 118.3° | 120.0° |
| C19 | N20 | C21 | C23 | 179.3° | 123.9° |
| C19 | N20 | C21 | C22 | 45.1° | 59.3° |
| N20 | C19 | C18 | H181 | 152.1° | 61.6° |
| N20 | C19 | C18 | H182 | 86.0° | 178.3° |
| N20 | C19 | H191 | H192 | 118.3° | 120.1° |
| C19 | N20 | C21 | H211 | 74.9° | 179.3° |
| C19 | N20 | C21 | H212 | 164.2° | 60.7° |
| C19 | N20 | C23 | H231 | 146.2° | 60.1° |
| C19 | N20 | C23 | H232 | 26.3° | 180.0° |
| C19 | N20 | C23 | H233 | 93.7° | 60.0° |
| N20 | C21 | C22 | H211 | 120.0° | 120.0° |
| N20 | C21 | C22 | H212 | 119.0° | 120.0° |
| N20 | C21 | C22 | H221 | 74.7° | 178.3° |
| N20 | C21 | C22 | H222 | 164.0° | 61.6° |
| C21 | N20 | C19 | H191 | 81.4° | 179.2° |
| C21 | N20 | C19 | H192 | 156.8° | 60.6° |
| N20 | C21 | H211 | H212 | 119.0° | 120.0° |
| C21 | N20 | C23 | H231 | 33.1° | 63.8° |
| C21 | N20 | C23 | H232 | 153.0° | 56.2° |
| C21 | N20 | C23 | H233 | 87.0° | 176.2° |
| C23 | N20 | C21 | C22 | 135.6° | 176.8° |
| C23 | N20 | C19 | H191 | 97.9° | 56.8° |
| C23 | N20 | C19 | H192 | 23.9° | 63.3° |
| C23 | N20 | C21 | H211 | 104.4° | 56.8° |
| C23 | N20 | C21 | H212 | 16.6° | 63.2° |
| N20 | C23 | H231 | H232 | 120.0° | 119.9° |
| N20 | C23 | H231 | H233 | 120.0° | 120.1° |
| N20 | C23 | H232 | H233 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 118.7° | 120.1° |
| C22 | C21 | H211 | H212 | 119.0° | 120.0° |
| O26 | C25 | C20 | C27 | 104.7° | 108.3° |
| O26 | C25 | C20 | O34 | 15.8° | 11.8° |
| O26 | C25 | C20 | H20 | 135.5° | 131.7° |
| C25 | C20 | C27 | C28 | 134.1° | 105.1° |
| C25 | C20 | C27 | C29 | 44.5° | 75.2° |
| C25 | C20 | C27 | O34 | 121.4° | 120.0° |
| C25 | C20 | C27 | H20 | 118.9° | 120.0° |
| C25 | C20 | O34 | H20 | 118.9° | 120.0° |
| C25 | C20 | O34 | H34 | 102.8° | 60.0° |
| C28 | C27 | C29 | C20 | 178.7° | 179.7° |
| C27 | C28 | C31 | H28 | 180.0° | 180.0° |
| C28 | C27 | C29 | C33 | 0.0° | 0.0° |
| C27 | C28 | C31 | C35 | 0.2° | 0.0° |
| C28 | C27 | C20 | O34 | 104.4° | 134.9° |
| C28 | C27 | C20 | H20 | 15.3° | 14.9° |
| C28 | C27 | C29 | H29 | 180.0° | 180.0° |
| C27 | C28 | C31 | H31 | 179.8° | 180.0° |
| C29 | C27 | C28 | C31 | 0.1° | 0.0° |
| C27 | C29 | C33 | H29 | 180.0° | 180.0° |
| C27 | C29 | C33 | C35 | 0.0° | 0.0° |
| C29 | C27 | C20 | O34 | 76.9° | 44.8° |
| C29 | C27 | C20 | H20 | 163.4° | 164.8° |
| C29 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C29 | C33 | H33 | 180.0° | 180.0° |
| C20 | C27 | C28 | C31 | 178.9° | 179.7° |
| C20 | C27 | C29 | C33 | 178.7° | 179.7° |
| C27 | C20 | O34 | H20 | 119.8° | 120.0° |
| C20 | C27 | C28 | H28 | 1.2° | 0.3° |
| C20 | C27 | C29 | H29 | 1.3° | 0.3° |
| C27 | C20 | O34 | H34 | 135.9° | 60.0° |
| C28 | C31 | C35 | H31 | 180.0° | 180.0° |
| C28 | C31 | C35 | C33 | 0.2° | 0.0° |
| C28 | C31 | C35 | H35 | 179.8° | 180.0° |
| C29 | C33 | C35 | C31 | 0.1° | 0.0° |
| C29 | C33 | C35 | H33 | 180.0° | 180.0° |
| C29 | C33 | C35 | H35 | 179.9° | 180.0° |
| C31 | C35 | C33 | H35 | 180.0° | 180.0° |
| C35 | C31 | C28 | H28 | 179.8° | 180.0° |
| C31 | C35 | C33 | H33 | 179.9° | 180.0° |
| C35 | C33 | C29 | H29 | 180.0° | 180.0° |
| C33 | C35 | C31 | H31 | 179.8° | 180.0° |
| H9 | C9 | C10 | H10 | 0.1° | 0.1° |
| H12 | C12 | C11 | H11 | 0.0° | 0.0° |
| H181 | C18 | C19 | H191 | 32.1° | 58.4° |
| H181 | C18 | C19 | H192 | 89.6° | 178.5° |
| H182 | C18 | C19 | H191 | 154.0° | 61.7° |
| H182 | C18 | C19 | H192 | 32.2° | 58.4° |
| H221 | C22 | C21 | H211 | 165.3° | 61.6° |
| H221 | C22 | C21 | H212 | 44.3° | 58.4° |
| H222 | C22 | C21 | H211 | 44.0° | 58.4° |
| H222 | C22 | C21 | H212 | 77.0° | 178.4° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H20 | C20 | O34 | H34 | 16.1° | 180.0° |
| H28 | C28 | C31 | H31 | 0.2° | 0.0° |
| H29 | C29 | C33 | H33 | 0.0° | 0.0° |
| H31 | C31 | C35 | H35 | 0.2° | 0.0° |
| H33 | C33 | C35 | H35 | 0.1° | 0.0° |
