L04
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C23 | sing | 1.53Å | 1.52Å | |
| C1 | H11A | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C18 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | O4 | doub | 1.21Å | 1.23Å | |
| C3 | O5 | sing | 1.34Å | 1.26Å | |
| C4 | C21 | sing | 1.53Å | 1.52Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42A | sing | 1.09Å | 1.11Å | |
| C4 | H43A | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C13 | sing | 1.48Å | 1.47Å | Aromatic |
| C5 | C43 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C16 | sing | 1.51Å | 1.52Å | |
| C7 | C18 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | N18 | sing | 1.35Å | 1.33Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C17 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C27 | sing | 1.51Å | 1.52Å | |
| C19 | N18 | sing | 1.47Å | 1.46Å | |
| C19 | H19 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.11Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C22 | H223 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | N1 | sing | 1.46Å | 1.46Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | C29 | sing | 1.48Å | 1.47Å | |
| C26 | N1 | sing | 1.34Å | 1.36Å | |
| C26 | O1 | doub | 1.22Å | 1.23Å | |
| C27 | N29 | sing | 1.35Å | 1.33Å | |
| C27 | O28 | doub | 1.21Å | 1.23Å | |
| C28 | C36 | sing | 1.51Å | 1.53Å | |
| C28 | N1 | sing | 1.47Å | 1.47Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | C36 | doub | 1.40Å | 1.42Å | Aromatic |
| C29 | C37 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | N29 | sing | 1.40Å | 1.38Å | |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | F1 | sing | 1.35Å | 1.35Å | |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| N18 | HN8 | sing | 0.97Å | 1.02Å | |
| N29 | HN9 | sing | 0.97Å | 1.02Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C23 | 114.3° | 109.5° |
| C2 | C1 | H11A | 110.4° | 109.5° |
| C2 | C1 | H12A | 110.4° | 109.4° |
| C1 | C2 | C3 | 111.9° | 109.4° |
| C1 | C2 | C18 | 113.3° | 109.5° |
| C1 | C2 | H2 | 105.1° | 109.5° |
| C23 | C1 | H11A | 110.5° | 109.5° |
| C23 | C1 | H12A | 110.4° | 109.4° |
| C1 | C23 | C24 | 111.3° | 109.5° |
| C1 | C23 | H231 | 111.5° | 109.5° |
| C1 | C23 | H232 | 111.6° | 109.5° |
| H11A | C1 | H12A | 99.9° | 109.5° |
| C3 | C2 | C18 | 109.9° | 109.4° |
| C3 | C2 | H2 | 108.9° | 109.4° |
| C2 | C3 | O4 | 117.1° | 120.0° |
| C2 | C3 | O5 | 123.6° | 120.0° |
| C18 | C2 | H2 | 107.4° | 109.5° |
| C2 | C18 | C7 | 116.4° | 109.5° |
| C2 | C18 | H181 | 109.7° | 109.5° |
| C2 | C18 | H182 | 109.7° | 109.4° |
| O4 | C3 | O5 | 119.2° | 119.9° |
| C3 | O5 | HO5 | 123.5° | 120.0° |
| C21 | C4 | H41 | 108.2° | 109.5° |
| C21 | C4 | H42A | 112.6° | 109.5° |
| C21 | C4 | H43A | 112.6° | 109.5° |
| C4 | C21 | C20 | 108.3° | 109.4° |
| C4 | C21 | C22 | 110.7° | 109.5° |
| C4 | C21 | H21 | 110.0° | 109.5° |
| H41 | C4 | H42A | 112.7° | 109.4° |
| H41 | C4 | H43A | 112.7° | 109.5° |
| H42A | C4 | H43A | 97.8° | 109.5° |
| C6 | C5 | C13 | 120.9° | 120.1° |
| C6 | C5 | C43 | 118.6° | 119.8° |
| C5 | C6 | C17 | 120.7° | 119.9° |
| C5 | C6 | H6 | 119.6° | 120.0° |
| C13 | C5 | C43 | 120.4° | 120.1° |
| C5 | C13 | C12 | 120.2° | 120.2° |
| C5 | C13 | C14 | 121.0° | 120.1° |
| C5 | C43 | C42 | 120.6° | 119.9° |
| C5 | C43 | H43 | 119.8° | 120.0° |
| C17 | C6 | H6 | 119.7° | 120.1° |
| C6 | C17 | C41 | 120.4° | 120.1° |
| C6 | C17 | H17 | 119.9° | 120.0° |
| C8 | C7 | C16 | 108.4° | 109.5° |
| C8 | C7 | C18 | 111.1° | 109.5° |
| C8 | C7 | H7 | 109.5° | 109.4° |
| C7 | C8 | C9 | 114.0° | 109.5° |
| C7 | C8 | H81 | 110.6° | 109.5° |
| C7 | C8 | H82 | 110.5° | 109.5° |
| C16 | C7 | C18 | 110.6° | 109.5° |
| C16 | C7 | H7 | 110.1° | 109.4° |
| C7 | C16 | N18 | 115.9° | 120.0° |
| C7 | C16 | O17 | 121.0° | 119.9° |
| C18 | C7 | H7 | 107.3° | 109.5° |
| C7 | C18 | H181 | 109.7° | 109.5° |
| C7 | C18 | H182 | 109.7° | 109.5° |
| C9 | C8 | H81 | 110.5° | 109.5° |
| C9 | C8 | H82 | 110.6° | 109.5° |
| C8 | C9 | C10 | 114.8° | 109.5° |
| C8 | C9 | H91 | 110.3° | 109.5° |
| C8 | C9 | H92 | 110.2° | 109.5° |
| H81 | C8 | H82 | 99.7° | 109.4° |
| C10 | C9 | H91 | 110.3° | 109.5° |
| C10 | C9 | H92 | 110.2° | 109.5° |
| C9 | C10 | C11 | 120.7° | 119.9° |
| C9 | C10 | C15 | 120.5° | 119.8° |
| H91 | C9 | H92 | 100.0° | 109.4° |
| C11 | C10 | C15 | 118.8° | 120.3° |
| C10 | C11 | C12 | 120.5° | 120.1° |
| C10 | C11 | H11 | 119.9° | 119.9° |
| C10 | C15 | C14 | 120.8° | 120.1° |
| C10 | C15 | H15 | 119.7° | 119.9° |
| C12 | C11 | H11 | 119.5° | 120.0° |
| C11 | C12 | C13 | 120.8° | 119.9° |
| C11 | C12 | H12 | 119.2° | 120.1° |
| C13 | C12 | H12 | 119.9° | 120.1° |
| C12 | C13 | C14 | 118.7° | 119.7° |
| C13 | C14 | C15 | 120.3° | 119.9° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| C15 | C14 | H14 | 119.8° | 120.1° |
| C14 | C15 | H15 | 119.6° | 119.9° |
| N18 | C16 | O17 | 123.2° | 120.1° |
| C16 | N18 | C19 | 121.2° | 120.0° |
| C16 | N18 | HN8 | 114.8° | 120.0° |
| C41 | C17 | H17 | 119.7° | 119.9° |
| C17 | C41 | C42 | 119.0° | 120.2° |
| C17 | C41 | F1 | 120.9° | 119.9° |
| H181 | C18 | H182 | 100.4° | 109.5° |
| C20 | C19 | C27 | 109.8° | 109.4° |
| C20 | C19 | N18 | 111.0° | 109.5° |
| C20 | C19 | H19 | 107.7° | 109.5° |
| C19 | C20 | C21 | 118.4° | 109.5° |
| C19 | C20 | H201 | 109.0° | 109.5° |
| C19 | C20 | H202 | 109.0° | 109.4° |
| C27 | C19 | N18 | 107.4° | 109.5° |
| C27 | C19 | H19 | 111.1° | 109.5° |
| C19 | C27 | N29 | 115.9° | 120.0° |
| C19 | C27 | O28 | 120.2° | 120.0° |
| N18 | C19 | H19 | 109.9° | 109.5° |
| C19 | N18 | HN8 | 124.0° | 120.0° |
| C21 | C20 | H201 | 109.0° | 109.5° |
| C21 | C20 | H202 | 109.0° | 109.5° |
| C20 | C21 | C22 | 110.9° | 109.5° |
| C20 | C21 | H21 | 109.8° | 109.5° |
| H201 | C20 | H202 | 101.2° | 109.5° |
| C22 | C21 | H21 | 107.2° | 109.5° |
| C21 | C22 | H221 | 110.7° | 109.5° |
| C21 | C22 | H222 | 111.8° | 109.5° |
| C21 | C22 | H223 | 111.8° | 109.5° |
| H221 | C22 | H222 | 111.7° | 109.4° |
| H221 | C22 | H223 | 111.7° | 109.5° |
| H222 | C22 | H223 | 98.7° | 109.4° |
| C24 | C23 | H231 | 111.6° | 109.4° |
| C24 | C23 | H232 | 111.6° | 109.5° |
| C23 | C24 | C25 | 111.7° | 109.5° |
| C23 | C24 | H241 | 111.4° | 109.4° |
| C23 | C24 | H242 | 111.3° | 109.5° |
| H231 | C23 | H232 | 98.8° | 109.4° |
| C25 | C24 | H241 | 111.4° | 109.4° |
| C25 | C24 | H242 | 111.4° | 109.5° |
| C24 | C25 | N1 | 113.2° | 109.5° |
| C24 | C25 | H251 | 110.8° | 109.4° |
| C24 | C25 | H252 | 110.9° | 109.5° |
| H241 | C24 | H242 | 99.0° | 109.5° |
| N1 | C25 | H251 | 110.8° | 109.5° |
| N1 | C25 | H252 | 110.8° | 109.5° |
| C25 | N1 | C26 | 119.2° | 125.6° |
| C25 | N1 | C28 | 128.2° | 125.6° |
| H251 | C25 | H252 | 99.6° | 109.5° |
| C29 | C26 | N1 | 109.0° | 110.3° |
| C29 | C26 | O1 | 125.6° | 124.8° |
| C26 | C29 | C36 | 107.2° | 108.3° |
| C26 | C29 | C37 | 132.9° | 132.4° |
| N1 | C26 | O1 | 125.4° | 124.9° |
| C26 | N1 | C28 | 112.6° | 108.8° |
| N29 | C27 | O28 | 123.8° | 120.0° |
| C27 | N29 | C30 | 128.5° | 120.0° |
| C27 | N29 | HN9 | 113.7° | 120.0° |
| C36 | C28 | N1 | 102.1° | 106.2° |
| C36 | C28 | H281 | 115.0° | 110.1° |
| C36 | C28 | H282 | 115.0° | 110.1° |
| C28 | C36 | C29 | 108.9° | 106.4° |
| C28 | C36 | C38 | 131.4° | 133.2° |
| N1 | C28 | H281 | 115.0° | 110.1° |
| N1 | C28 | H282 | 115.0° | 110.1° |
| H281 | C28 | H282 | 95.5° | 110.1° |
| C36 | C29 | C37 | 119.8° | 119.3° |
| C29 | C36 | C38 | 119.6° | 120.3° |
| C29 | C37 | C40 | 119.5° | 119.9° |
| C29 | C37 | H37 | 120.8° | 120.1° |
| C31 | C30 | C35 | 118.6° | 119.9° |
| C31 | C30 | N29 | 117.6° | 120.1° |
| C30 | C31 | C32 | 121.0° | 119.9° |
| C30 | C31 | H31 | 119.6° | 120.0° |
| C35 | C30 | N29 | 123.7° | 120.1° |
| C30 | C35 | C34 | 120.9° | 120.0° |
| C30 | C35 | H35 | 119.6° | 120.0° |
| C30 | N29 | HN9 | 117.8° | 120.0° |
| C32 | C31 | H31 | 119.4° | 120.1° |
| C31 | C32 | C33 | 119.9° | 120.1° |
| C31 | C32 | H32 | 120.1° | 119.9° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C32 | C33 | C34 | 119.8° | 120.1° |
| C32 | C33 | H33 | 119.9° | 119.9° |
| C34 | C33 | H33 | 120.3° | 120.0° |
| C33 | C34 | C35 | 119.9° | 120.1° |
| C33 | C34 | H34 | 120.1° | 119.9° |
| C35 | C34 | H34 | 120.0° | 120.0° |
| C34 | C35 | H35 | 119.5° | 120.0° |
| C36 | C38 | C39 | 119.4° | 120.0° |
| C36 | C38 | H38 | 120.6° | 120.0° |
| C40 | C37 | H37 | 119.7° | 120.0° |
| C37 | C40 | C39 | 120.8° | 120.3° |
| C37 | C40 | H40 | 119.7° | 119.9° |
| C39 | C38 | H38 | 120.0° | 120.0° |
| C38 | C39 | C40 | 120.9° | 120.1° |
| C38 | C39 | H39 | 119.8° | 120.0° |
| C40 | C39 | H39 | 119.3° | 119.9° |
| C39 | C40 | H40 | 119.5° | 119.8° |
| C42 | C41 | F1 | 120.1° | 119.9° |
| C41 | C42 | C43 | 120.7° | 120.1° |
| C41 | C42 | H42 | 119.6° | 120.0° |
| C43 | C42 | H42 | 119.7° | 119.9° |
| C42 | C43 | H43 | 119.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C23 | H11A | 125.3° | 120.0° |
| C2 | C1 | C23 | H12A | 125.2° | 119.9° |
| C2 | C1 | H11A | H12A | 116.3° | 120.0° |
| C1 | C2 | C3 | C18 | 126.8° | 120.0° |
| C1 | C2 | C3 | H2 | 115.8° | 120.0° |
| C1 | C2 | C18 | H2 | 115.7° | 120.1° |
| C1 | C2 | C3 | O4 | 141.8° | 85.6° |
| C1 | C2 | C3 | O5 | 40.4° | 94.4° |
| C1 | C2 | C18 | C7 | 53.0° | 174.7° |
| C1 | C2 | C18 | H181 | 178.2° | 65.2° |
| C1 | C2 | C18 | H182 | 72.3° | 54.8° |
| C2 | C1 | C23 | C24 | 174.3° | 179.9° |
| C2 | C1 | C23 | H231 | 49.0° | 59.9° |
| C2 | C1 | C23 | H232 | 60.4° | 60.0° |
| C23 | C1 | H11A | H12A | 116.3° | 120.0° |
| C23 | C1 | C2 | C3 | 61.8° | 60.0° |
| C23 | C1 | C2 | C18 | 173.3° | 180.0° |
| C23 | C1 | C2 | H2 | 56.3° | 59.9° |
| C1 | C23 | C24 | H231 | 125.3° | 120.1° |
| C1 | C23 | C24 | H232 | 125.3° | 120.0° |
| C1 | C23 | H231 | H232 | 117.4° | 120.0° |
| C1 | C23 | C24 | C25 | 168.0° | 179.9° |
| C1 | C23 | C24 | H241 | 42.8° | 60.0° |
| C1 | C23 | C24 | H242 | 66.7° | 60.0° |
| H11A | C1 | C2 | C3 | 63.5° | 60.0° |
| H11A | C1 | C2 | C18 | 61.5° | 60.0° |
| H11A | C1 | C2 | H2 | 178.5° | 179.9° |
| H11A | C1 | C23 | C24 | 60.5° | 60.0° |
| H11A | C1 | C23 | H231 | 174.2° | 180.0° |
| H11A | C1 | C23 | H232 | 64.8° | 60.0° |
| H12A | C1 | C2 | C3 | 173.0° | 180.0° |
| H12A | C1 | C2 | C18 | 48.0° | 60.1° |
| H12A | C1 | C2 | H2 | 69.0° | 60.0° |
| H12A | C1 | C23 | C24 | 49.0° | 60.0° |
| H12A | C1 | C23 | H231 | 76.2° | 60.0° |
| H12A | C1 | C23 | H232 | 174.3° | 179.9° |
| C3 | C2 | C18 | H2 | 118.3° | 120.0° |
| C2 | C3 | O4 | O5 | 177.9° | 180.0° |
| C3 | C2 | C18 | C7 | 73.1° | 65.3° |
| C3 | C2 | C18 | H181 | 52.2° | 54.7° |
| C3 | C2 | C18 | H182 | 161.6° | 174.7° |
| C2 | C3 | O5 | HO5 | 180.0° | 175.0° |
| C18 | C2 | C3 | O4 | 91.4° | 34.4° |
| C18 | C2 | C3 | O5 | 86.4° | 145.6° |
| C2 | C18 | C7 | C8 | 140.7° | 65.4° |
| C2 | C18 | C7 | C16 | 98.9° | 174.6° |
| C2 | C18 | C7 | H181 | 125.3° | 120.0° |
| C2 | C18 | C7 | H182 | 125.3° | 120.0° |
| C2 | C18 | C7 | H7 | 21.1° | 54.6° |
| C2 | C18 | H181 | H182 | 115.4° | 120.0° |
| H2 | C2 | C3 | O4 | 26.0° | 154.4° |
| H2 | C2 | C3 | O5 | 156.3° | 25.6° |
| H2 | C2 | C18 | C7 | 168.6° | 54.7° |
| H2 | C2 | C18 | H181 | 66.1° | 174.7° |
| H2 | C2 | C18 | H182 | 43.3° | 65.3° |
| O4 | C3 | O5 | HO5 | 2.3° | 5.0° |
| C21 | C4 | H41 | H42A | 125.2° | 120.0° |
| C21 | C4 | H41 | H43A | 125.2° | 120.0° |
| C21 | C4 | H42A | H43A | 118.5° | 120.0° |
| C4 | C21 | C20 | C19 | 175.0° | 174.9° |
| C4 | C21 | C20 | C22 | 121.7° | 120.0° |
| C4 | C21 | C20 | H21 | 120.1° | 120.0° |
| C4 | C21 | C20 | H201 | 59.8° | 65.0° |
| C4 | C21 | C20 | H202 | 49.8° | 55.0° |
| C4 | C21 | C22 | H21 | 119.9° | 120.0° |
| C4 | C21 | C22 | H221 | 180.0° | 59.0° |
| C4 | C21 | C22 | H222 | 54.7° | 178.9° |
| C4 | C21 | C22 | H223 | 54.8° | 61.1° |
| H41 | C4 | H42A | H43A | 118.6° | 120.0° |
| H41 | C4 | C21 | C20 | 180.0° | 180.0° |
| H41 | C4 | C21 | C22 | 58.2° | 60.0° |
| H41 | C4 | C21 | H21 | 60.1° | 60.0° |
| H42A | C4 | C21 | C20 | 54.7° | 60.1° |
| H42A | C4 | C21 | C22 | 176.5° | 180.0° |
| H42A | C4 | C21 | H21 | 65.2° | 59.9° |
| H43A | C4 | C21 | C20 | 54.8° | 60.0° |
| H43A | C4 | C21 | C22 | 67.0° | 60.0° |
| H43A | C4 | C21 | H21 | 174.7° | 180.0° |
| C6 | C5 | C13 | C43 | 180.0° | 179.8° |
| C5 | C6 | C17 | H6 | 180.0° | 180.0° |
| C6 | C5 | C13 | C12 | 128.2° | 140.2° |
| C6 | C5 | C13 | C14 | 51.7° | 39.8° |
| C5 | C6 | C17 | C41 | 0.7° | 0.1° |
| C5 | C6 | C17 | H17 | 179.3° | 180.0° |
| C6 | C5 | C43 | C42 | 0.4° | 0.5° |
| C6 | C5 | C43 | H43 | 179.6° | 179.9° |
| C13 | C5 | C6 | C17 | 179.9° | 180.0° |
| C13 | C5 | C6 | H6 | 0.1° | 0.0° |
| C5 | C13 | C12 | C11 | 179.9° | 180.0° |
| C5 | C13 | C12 | C14 | 179.9° | 180.0° |
| C5 | C13 | C12 | H12 | 0.1° | 0.1° |
| C5 | C13 | C14 | C15 | 179.9° | 179.8° |
| C5 | C13 | C14 | H14 | 0.1° | 0.0° |
| C13 | C5 | C43 | C42 | 179.6° | 179.8° |
| C13 | C5 | C43 | H43 | 0.4° | 0.2° |
| C43 | C5 | C6 | C17 | 0.0° | 0.2° |
| C43 | C5 | C6 | H6 | 180.0° | 179.8° |
| C43 | C5 | C13 | C12 | 51.7° | 40.0° |
| C43 | C5 | C13 | C14 | 128.3° | 140.0° |
| C5 | C43 | C42 | C41 | 0.1° | 0.4° |
| C5 | C43 | C42 | H43 | 180.0° | 179.6° |
| C5 | C43 | C42 | H42 | 180.0° | 179.7° |
| C6 | C17 | C41 | H17 | 180.0° | 179.9° |
| C6 | C17 | C41 | C42 | 1.2° | 0.1° |
| C6 | C17 | C41 | F1 | 178.8° | 180.0° |
| H6 | C6 | C17 | C41 | 179.2° | 179.9° |
| H6 | C6 | C17 | H17 | 0.7° | 0.0° |
| C8 | C7 | C16 | C18 | 122.0° | 120.1° |
| C8 | C7 | C16 | H7 | 119.7° | 119.9° |
| C8 | C7 | C18 | H7 | 119.6° | 120.0° |
| C7 | C8 | C9 | H81 | 125.3° | 120.1° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 116.4° | 120.0° |
| C7 | C8 | C9 | C10 | 159.9° | 180.0° |
| C7 | C8 | C9 | H91 | 34.6° | 59.9° |
| C7 | C8 | C9 | H92 | 74.8° | 60.0° |
| C8 | C7 | C16 | N18 | 78.7° | 153.1° |
| C8 | C7 | C16 | O17 | 101.3° | 26.9° |
| C8 | C7 | C18 | H181 | 15.4° | 174.6° |
| C8 | C7 | C18 | H182 | 94.0° | 54.6° |
| C16 | C7 | C18 | H7 | 120.0° | 120.0° |
| C16 | C7 | C8 | C9 | 170.7° | 59.9° |
| C16 | C7 | C8 | H81 | 64.1° | 180.0° |
| C16 | C7 | C8 | H82 | 45.4° | 60.1° |
| C7 | C16 | N18 | O17 | 179.9° | 180.0° |
| C16 | C7 | C18 | H181 | 135.8° | 54.5° |
| C16 | C7 | C18 | H182 | 26.4° | 65.5° |
| C7 | C16 | N18 | C19 | 178.4° | 175.0° |
| C7 | C16 | N18 | HN8 | 1.6° | 4.9° |
| C18 | C7 | C8 | C9 | 67.6° | 180.0° |
| C18 | C7 | C8 | H81 | 57.6° | 59.9° |
| C18 | C7 | C8 | H82 | 167.1° | 60.0° |
| C18 | C7 | C16 | N18 | 159.4° | 86.8° |
| C18 | C7 | C16 | O17 | 20.7° | 93.1° |
| C7 | C18 | H181 | H182 | 115.5° | 120.0° |
| H7 | C7 | C8 | C9 | 50.6° | 60.0° |
| H7 | C7 | C8 | H81 | 175.9° | 60.1° |
| H7 | C7 | C8 | H82 | 74.7° | 180.0° |
| H7 | C7 | C16 | N18 | 41.1° | 33.2° |
| H7 | C7 | C16 | O17 | 139.0° | 146.9° |
| H7 | C7 | C18 | H181 | 104.2° | 65.5° |
| H7 | C7 | C18 | H182 | 146.4° | 174.5° |
| C9 | C8 | H81 | H82 | 116.4° | 119.9° |
| C8 | C9 | C10 | H91 | 125.3° | 120.0° |
| C8 | C9 | C10 | H92 | 125.2° | 120.0° |
| C8 | C9 | H91 | H92 | 116.1° | 119.9° |
| C8 | C9 | C10 | C11 | 95.9° | 90.0° |
| C8 | C9 | C10 | C15 | 85.5° | 90.2° |
| H81 | C8 | C9 | C10 | 74.8° | 60.0° |
| H81 | C8 | C9 | H91 | 159.9° | 180.0° |
| H81 | C8 | C9 | H92 | 50.4° | 60.1° |
| H82 | C8 | C9 | C10 | 34.6° | 59.9° |
| H82 | C8 | C9 | H91 | 90.7° | 60.1° |
| H82 | C8 | C9 | H92 | 159.9° | 180.0° |
| C10 | C9 | H91 | H92 | 116.1° | 120.0° |
| C9 | C10 | C11 | C15 | 178.6° | 179.8° |
| C9 | C10 | C11 | C12 | 178.4° | 180.0° |
| C9 | C10 | C11 | H11 | 1.6° | 0.0° |
| C9 | C10 | C15 | C14 | 178.3° | 179.8° |
| C9 | C10 | C15 | H15 | 1.7° | 0.2° |
| H91 | C9 | C10 | C11 | 138.8° | 30.0° |
| H91 | C9 | C10 | C15 | 39.8° | 149.8° |
| H92 | C9 | C10 | C11 | 29.4° | 150.0° |
| H92 | C9 | C10 | C15 | 149.2° | 29.8° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 179.9° | 179.9° |
| C11 | C10 | C15 | C14 | 0.3° | 0.4° |
| C11 | C10 | C15 | H15 | 179.7° | 179.9° |
| C15 | C10 | C11 | C12 | 0.2° | 0.2° |
| C15 | C10 | C11 | H11 | 179.7° | 179.8° |
| C10 | C15 | C14 | C13 | 0.2° | 0.4° |
| C10 | C15 | C14 | H15 | 180.0° | 179.6° |
| C10 | C15 | C14 | H14 | 179.9° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| H11 | C11 | C12 | C13 | 179.9° | 180.0° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.2° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| H12 | C12 | C13 | C14 | 179.9° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C13 | C14 | C15 | H15 | 179.8° | 179.9° |
| H14 | C14 | C15 | H15 | 0.1° | 0.2° |
| C16 | N18 | C19 | C20 | 141.7° | 118.6° |
| C16 | N18 | C19 | C27 | 98.3° | 121.4° |
| C16 | N18 | C19 | HN8 | 180.0° | 179.9° |
| C16 | N18 | C19 | H19 | 22.7° | 1.4° |
| O17 | C16 | N18 | C19 | 1.6° | 5.1° |
| O17 | C16 | N18 | HN8 | 178.4° | 175.0° |
| C17 | C41 | C42 | F1 | 180.0° | 179.9° |
| C17 | C41 | C42 | C43 | 0.8° | 0.1° |
| C17 | C41 | C42 | H42 | 179.2° | 180.0° |
| H17 | C17 | C41 | C42 | 178.9° | 180.0° |
| H17 | C17 | C41 | F1 | 1.1° | 0.1° |
| C20 | C19 | C27 | N18 | 120.7° | 120.0° |
| C20 | C19 | C27 | H19 | 119.0° | 120.0° |
| C20 | C19 | N18 | H19 | 119.0° | 120.0° |
| C19 | C20 | C21 | H201 | 125.2° | 120.0° |
| C19 | C20 | C21 | H202 | 125.2° | 119.9° |
| C19 | C20 | H201 | H202 | 114.7° | 120.0° |
| C19 | C20 | C21 | C22 | 53.3° | 65.1° |
| C19 | C20 | C21 | H21 | 64.9° | 54.9° |
| C20 | C19 | C27 | N29 | 110.8° | 60.0° |
| C20 | C19 | C27 | O28 | 72.7° | 120.0° |
| C20 | C19 | N18 | HN8 | 38.4° | 61.5° |
| C27 | C19 | N18 | H19 | 121.0° | 120.0° |
| C27 | C19 | C20 | C21 | 177.3° | 176.3° |
| C27 | C19 | C20 | H201 | 52.0° | 56.3° |
| C27 | C19 | C20 | H202 | 57.5° | 63.7° |
| C19 | C27 | N29 | O28 | 176.4° | 180.0° |
| C19 | C27 | N29 | C30 | 179.5° | 176.6° |
| C27 | C19 | N18 | HN8 | 81.6° | 58.5° |
| C19 | C27 | N29 | HN9 | 0.6° | 3.3° |
| N18 | C19 | C20 | C21 | 58.7° | 63.7° |
| N18 | C19 | C20 | H201 | 66.5° | 176.3° |
| N18 | C19 | C20 | H202 | 176.1° | 56.3° |
| N18 | C19 | C27 | N29 | 128.5° | 180.0° |
| N18 | C19 | C27 | O28 | 48.0° | 0.0° |
| H19 | C19 | C20 | C21 | 61.6° | 56.3° |
| H19 | C19 | C20 | H201 | 173.1° | 63.7° |
| H19 | C19 | C20 | H202 | 63.6° | 176.3° |
| H19 | C19 | C27 | N29 | 8.2° | 60.0° |
| H19 | C19 | C27 | O28 | 168.3° | 120.0° |
| H19 | C19 | N18 | HN8 | 157.3° | 178.6° |
| C21 | C20 | H201 | H202 | 114.8° | 120.0° |
| C20 | C21 | C22 | H21 | 119.8° | 120.0° |
| C20 | C21 | C22 | H221 | 59.8° | 61.0° |
| C20 | C21 | C22 | H222 | 175.0° | 59.0° |
| C20 | C21 | C22 | H223 | 65.5° | 178.9° |
| H201 | C20 | C21 | C22 | 178.6° | 55.0° |
| H201 | C20 | C21 | H21 | 60.3° | 175.0° |
| H202 | C20 | C21 | C22 | 71.9° | 175.0° |
| H202 | C20 | C21 | H21 | 169.9° | 65.0° |
| C21 | C22 | H221 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H223 | 125.3° | 120.0° |
| C21 | C22 | H222 | H223 | 117.7° | 120.0° |
| H21 | C21 | C22 | H221 | 60.0° | 179.0° |
| H21 | C21 | C22 | H222 | 65.2° | 61.0° |
| H21 | C21 | C22 | H223 | 174.7° | 58.9° |
| H221 | C22 | H222 | H223 | 117.6° | 120.0° |
| C24 | C23 | H231 | H232 | 117.5° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 119.9° |
| C23 | C24 | C25 | H242 | 125.2° | 120.1° |
| C23 | C24 | H241 | H242 | 117.2° | 120.0° |
| C23 | C24 | C25 | N1 | 59.1° | 180.0° |
| C23 | C24 | C25 | H251 | 66.2° | 60.0° |
| C23 | C24 | C25 | H252 | 175.7° | 59.9° |
| H231 | C23 | C24 | C25 | 66.7° | 60.0° |
| H231 | C23 | C24 | H241 | 168.0° | 179.9° |
| H231 | C23 | C24 | H242 | 58.5° | 60.1° |
| H232 | C23 | C24 | C25 | 42.7° | 59.9° |
| H232 | C23 | C24 | H241 | 82.5° | 60.0° |
| H232 | C23 | C24 | H242 | 168.0° | 180.0° |
| C25 | C24 | H241 | H242 | 117.3° | 120.1° |
| C24 | C25 | N1 | H251 | 125.2° | 119.9° |
| C24 | C25 | N1 | H252 | 125.2° | 120.0° |
| C24 | C25 | H251 | H252 | 116.8° | 120.0° |
| C24 | C25 | N1 | C26 | 99.9° | 90.4° |
| C24 | C25 | N1 | C28 | 80.9° | 90.0° |
| H241 | C24 | C25 | N1 | 175.6° | 60.1° |
| H241 | C24 | C25 | H251 | 59.1° | 180.0° |
| H241 | C24 | C25 | H252 | 50.4° | 60.0° |
| H242 | C24 | C25 | N1 | 66.1° | 60.0° |
| H242 | C24 | C25 | H251 | 168.6° | 60.0° |
| H242 | C24 | C25 | H252 | 59.1° | 180.0° |
| N1 | C25 | H251 | H252 | 116.7° | 120.1° |
| C25 | N1 | C26 | C29 | 177.0° | 179.9° |
| C25 | N1 | C26 | C28 | 179.4° | 179.7° |
| C25 | N1 | C26 | O1 | 0.9° | 0.0° |
| C25 | N1 | C28 | C36 | 177.0° | 180.0° |
| C25 | N1 | C28 | H281 | 51.8° | 60.9° |
| C25 | N1 | C28 | H282 | 57.8° | 60.8° |
| H251 | C25 | N1 | C26 | 25.4° | 149.7° |
| H251 | C25 | N1 | C28 | 153.9° | 29.9° |
| H252 | C25 | N1 | C26 | 134.9° | 29.7° |
| H252 | C25 | N1 | C28 | 44.4° | 150.0° |
| C29 | C26 | N1 | O1 | 177.9° | 179.9° |
| C26 | C29 | C36 | C28 | 0.4° | 0.2° |
| C29 | C26 | N1 | C28 | 3.7° | 0.4° |
| C26 | C29 | C36 | C37 | 178.3° | 179.8° |
| C26 | C29 | C36 | C38 | 178.3° | 179.8° |
| C26 | C29 | C37 | C40 | 177.6° | 179.7° |
| C26 | C29 | C37 | H37 | 2.4° | 0.3° |
| C26 | N1 | C28 | C36 | 3.7° | 0.2° |
| C26 | N1 | C28 | H281 | 129.0° | 119.4° |
| C26 | N1 | C28 | H282 | 121.5° | 118.9° |
| N1 | C26 | C29 | C36 | 1.9° | 0.4° |
| N1 | C26 | C29 | C37 | 176.0° | 179.8° |
| O1 | C26 | N1 | C28 | 178.4° | 179.7° |
| O1 | C26 | C29 | C36 | 179.8° | 179.7° |
| O1 | C26 | C29 | C37 | 1.8° | 0.1° |
| C27 | N29 | C30 | C31 | 177.2° | 34.4° |
| C27 | N29 | C30 | C35 | 2.4° | 145.3° |
| C27 | N29 | C30 | HN9 | 179.9° | 179.9° |
| O28 | C27 | N29 | C30 | 4.2° | 3.4° |
| O28 | C27 | N29 | HN9 | 175.8° | 176.7° |
| C36 | C28 | N1 | H281 | 125.2° | 119.2° |
| C36 | C28 | N1 | H282 | 125.2° | 119.2° |
| C36 | C28 | H281 | H282 | 120.8° | 121.6° |
| C28 | C36 | C29 | C38 | 178.7° | 180.0° |
| C28 | C36 | C29 | C37 | 178.7° | 180.0° |
| C28 | C36 | C38 | C39 | 178.3° | 180.0° |
| C28 | C36 | C38 | H38 | 1.7° | 0.0° |
| N1 | C28 | H281 | H282 | 120.9° | 121.7° |
| N1 | C28 | C36 | C29 | 2.4° | 0.0° |
| N1 | C28 | C36 | C38 | 176.1° | 180.0° |
| H281 | C28 | C36 | C29 | 127.6° | 119.2° |
| H281 | C28 | C36 | C38 | 50.8° | 60.8° |
| H282 | C28 | C36 | C29 | 122.9° | 119.2° |
| H282 | C28 | C36 | C38 | 58.6° | 60.8° |
| C36 | C29 | C37 | C40 | 0.1° | 0.1° |
| C36 | C29 | C37 | H37 | 179.9° | 180.0° |
| C29 | C36 | C38 | C39 | 0.1° | 0.0° |
| C29 | C36 | C38 | H38 | 180.0° | 180.0° |
| C37 | C29 | C36 | C38 | 0.0° | 0.0° |
| C29 | C37 | C40 | H37 | 180.0° | 179.9° |
| C29 | C37 | C40 | C39 | 0.2° | 0.1° |
| C29 | C37 | C40 | H40 | 179.8° | 179.9° |
| C31 | C30 | C35 | N29 | 179.6° | 179.7° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C30 | C35 | C34 | 0.1° | 0.6° |
| C31 | C30 | C35 | H35 | 179.9° | 180.0° |
| C31 | C30 | N29 | HN9 | 2.8° | 145.5° |
| C35 | C30 | C31 | C32 | 0.1° | 0.3° |
| C35 | C30 | C31 | H31 | 179.9° | 179.7° |
| C30 | C35 | C34 | C33 | 0.1° | 0.6° |
| C30 | C35 | C34 | H35 | 180.0° | 179.4° |
| C30 | C35 | C34 | H34 | 180.0° | 179.7° |
| C35 | C30 | N29 | HN9 | 177.6° | 34.8° |
| N29 | C30 | C31 | C32 | 179.5° | 180.0° |
| N29 | C30 | C31 | H31 | 0.5° | 0.0° |
| N29 | C30 | C35 | C34 | 179.5° | 179.7° |
| N29 | C30 | C35 | H35 | 0.5° | 0.3° |
| C31 | C32 | C33 | H32 | 179.9° | 180.0° |
| C31 | C32 | C33 | C34 | 0.2° | 0.1° |
| C31 | C32 | C33 | H33 | 179.8° | 180.0° |
| H31 | C31 | C32 | C33 | 179.8° | 180.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.4° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| H32 | C32 | C33 | C34 | 179.9° | 179.9° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.7° |
| C33 | C34 | C35 | H35 | 179.9° | 179.9° |
| H33 | C33 | C34 | C35 | 179.8° | 179.7° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.3° |
| C36 | C38 | C39 | H38 | 180.0° | 180.0° |
| C36 | C38 | C39 | C40 | 0.0° | 0.0° |
| C36 | C38 | C39 | H39 | 180.0° | 179.9° |
| C37 | C40 | C39 | C38 | 0.1° | 0.1° |
| C37 | C40 | C39 | H40 | 180.0° | 179.8° |
| C37 | C40 | C39 | H39 | 179.9° | 179.9° |
| H37 | C37 | C40 | C39 | 179.8° | 180.0° |
| H37 | C37 | C40 | H40 | 0.2° | 0.1° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | H40 | 179.9° | 179.9° |
| H38 | C38 | C39 | C40 | 180.0° | 180.0° |
| H38 | C38 | C39 | H39 | 0.0° | 0.0° |
| H39 | C39 | C40 | H40 | 0.1° | 0.1° |
| C41 | C42 | C43 | H42 | 180.0° | 179.8° |
| C41 | C42 | C43 | H43 | 179.9° | 180.0° |
| F1 | C41 | C42 | C43 | 179.2° | 179.8° |
| F1 | C41 | C42 | H42 | 0.8° | 0.1° |
| H42 | C42 | C43 | H43 | 0.0° | 0.1° |
