A1CMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F19 | C18 | sing | 1.35Å | 1.34Å | |
| C18 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.36Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.36Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C16 | C22 | doub | 1.42Å | 1.45Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.43Å | Aromatic |
| C22 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | O11 | sing | 1.36Å | 1.32Å | |
| C12 | C13 | doub | 1.37Å | 1.41Å | Aromatic |
| O11 | C10 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.48Å | |
| C41 | C42 | doub | 1.38Å | 1.37Å | Aromatic |
| C41 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N7 | sing | 1.46Å | 1.46Å | |
| C42 | C43 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C40 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C40 | C39 | doub | 1.41Å | 1.43Å | Aromatic |
| N7 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C43 | CL44 | sing | 1.74Å | 1.70Å | |
| C43 | C38 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.35Å | 1.38Å | Aromatic |
| C25 | N46 | sing | 1.35Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.41Å | 1.41Å | Aromatic |
| C39 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.48Å | 1.49Å | |
| O5 | C4 | doub | 1.22Å | 1.23Å | |
| C4 | O6 | sing | 1.35Å | 1.32Å | |
| N46 | C47 | sing | 1.46Å | 1.47Å | |
| N46 | N45 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C36 | C35 | sing | 1.51Å | 1.52Å | |
| C27 | N45 | doub | 1.31Å | 1.32Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.49Å | |
| C37 | C35 | doub | 1.36Å | 1.40Å | Aromatic |
| C37 | C31 | sing | 1.41Å | 1.39Å | Aromatic |
| C35 | N33 | sing | 1.35Å | 1.33Å | Aromatic |
| C28 | S29 | sing | 1.82Å | 1.84Å | |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| C31 | N32 | doub | 1.31Å | 1.31Å | Aromatic |
| C30 | S29 | sing | 1.82Å | 1.84Å | |
| N33 | N32 | sing | 1.40Å | 1.37Å | Aromatic |
| N33 | C34 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| O6 | H21 | sing | 0.97Å | 0.95Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.08Å | 1.08Å | |
| C42 | H32 | sing | 1.08Å | 1.08Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C47 | H34 | sing | 1.09Å | 1.10Å | |
| C47 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F19 | C18 | C20 | 119.4° | 119.6° |
| F19 | C18 | C17 | 119.2° | 119.6° |
| C20 | C18 | C17 | 121.5° | 120.8° |
| C18 | C20 | C21 | 121.7° | 121.0° |
| C18 | C20 | H27 | 119.1° | 119.6° |
| C18 | C17 | C16 | 118.6° | 119.7° |
| C18 | C17 | H7 | 120.7° | 120.2° |
| C20 | C21 | C22 | 119.8° | 119.8° |
| C20 | C21 | H8 | 120.1° | 120.1° |
| C21 | C20 | H27 | 119.2° | 119.5° |
| C17 | C16 | C22 | 120.4° | 119.5° |
| C17 | C16 | C15 | 120.8° | 121.2° |
| C16 | C17 | H7 | 120.7° | 120.2° |
| C21 | C22 | C16 | 118.1° | 119.3° |
| C21 | C22 | C12 | 121.2° | 121.4° |
| C22 | C21 | H8 | 120.1° | 120.1° |
| C22 | C16 | C15 | 118.8° | 119.4° |
| C16 | C22 | C12 | 120.7° | 119.3° |
| C16 | C15 | C14 | 118.3° | 119.8° |
| C16 | C15 | H6 | 120.8° | 120.1° |
| C22 | C12 | O11 | 118.8° | 120.2° |
| C22 | C12 | C13 | 117.9° | 119.5° |
| C15 | C14 | C13 | 123.6° | 121.0° |
| C15 | C14 | C23 | 120.1° | 119.1° |
| C14 | C15 | H6 | 120.8° | 120.1° |
| O11 | C12 | C13 | 123.2° | 120.3° |
| C12 | O11 | C10 | 121.4° | 117.5° |
| C12 | C13 | C14 | 120.6° | 121.0° |
| C12 | C13 | H26 | 119.7° | 119.5° |
| O11 | C10 | C9 | 108.3° | 109.3° |
| O11 | C10 | H24 | 109.8° | 109.5° |
| O11 | C10 | H25 | 109.8° | 109.6° |
| C13 | C14 | C23 | 116.3° | 119.9° |
| C14 | C13 | H26 | 119.7° | 119.5° |
| C14 | C23 | C24 | 108.5° | 110.3° |
| C14 | C23 | H9 | 109.7° | 109.3° |
| C14 | C23 | H10 | 109.7° | 109.3° |
| C23 | C24 | C25 | 114.5° | 109.0° |
| C24 | C23 | H9 | 109.7° | 109.4° |
| C24 | C23 | H10 | 109.7° | 109.4° |
| C23 | C24 | H11 | 108.2° | 109.5° |
| C23 | C24 | H12 | 108.2° | 109.6° |
| C10 | C9 | C8 | 108.9° | 109.7° |
| C10 | C9 | H22 | 109.6° | 109.5° |
| C10 | C9 | H23 | 109.6° | 109.4° |
| C9 | C10 | H24 | 109.7° | 109.5° |
| C9 | C10 | H25 | 109.7° | 109.5° |
| C42 | C41 | C40 | 120.5° | 120.3° |
| C41 | C42 | C43 | 121.6° | 120.9° |
| C42 | C41 | H31 | 119.7° | 119.8° |
| C41 | C42 | H32 | 119.2° | 119.5° |
| C41 | C40 | N7 | 131.2° | 133.1° |
| C41 | C40 | C39 | 120.1° | 119.4° |
| C40 | C41 | H31 | 119.8° | 119.8° |
| C9 | C8 | N7 | 117.4° | 109.1° |
| C9 | C8 | H4 | 107.5° | 109.5° |
| C9 | C8 | H5 | 107.4° | 109.6° |
| C8 | C9 | H22 | 109.6° | 109.4° |
| C8 | C9 | H23 | 109.6° | 109.4° |
| C8 | N7 | C40 | 125.1° | 126.0° |
| C8 | N7 | C3 | 127.4° | 125.4° |
| N7 | C8 | H4 | 107.4° | 109.5° |
| N7 | C8 | H5 | 107.4° | 109.5° |
| C42 | C43 | CL44 | 117.5° | 119.9° |
| C42 | C43 | C38 | 118.6° | 120.2° |
| C43 | C42 | H32 | 119.2° | 119.6° |
| C24 | C25 | C26 | 128.0° | 125.5° |
| C24 | C25 | N46 | 125.1° | 126.8° |
| C25 | C24 | H11 | 108.2° | 109.6° |
| C25 | C24 | H12 | 108.2° | 109.5° |
| N7 | C40 | C39 | 108.7° | 107.6° |
| C40 | N7 | C3 | 107.5° | 108.7° |
| C40 | C39 | C38 | 118.7° | 119.8° |
| C40 | C39 | C2 | 106.2° | 106.7° |
| N7 | C3 | C4 | 122.4° | 125.6° |
| N7 | C3 | C2 | 110.7° | 108.9° |
| CL44 | C43 | C38 | 123.6° | 119.9° |
| C43 | C38 | C39 | 120.2° | 119.4° |
| C43 | C38 | C37 | 118.0° | 119.2° |
| C26 | C25 | N46 | 106.9° | 107.6° |
| C25 | C26 | C27 | 107.4° | 108.0° |
| C25 | C26 | H28 | 126.3° | 126.0° |
| C25 | N46 | C47 | 126.9° | 125.9° |
| C25 | N46 | N45 | 109.3° | 108.1° |
| C26 | C27 | N45 | 107.9° | 108.1° |
| C26 | C27 | C28 | 131.3° | 125.2° |
| C27 | C26 | H28 | 126.3° | 126.0° |
| C38 | C39 | C2 | 135.0° | 133.5° |
| C39 | C38 | C37 | 121.7° | 121.5° |
| C39 | C2 | C3 | 107.0° | 108.0° |
| C39 | C2 | C1 | 128.7° | 126.0° |
| C4 | C3 | C2 | 126.9° | 125.5° |
| C3 | C4 | O5 | 120.3° | 120.1° |
| C3 | C4 | O6 | 124.2° | 120.0° |
| C3 | C2 | C1 | 124.2° | 126.0° |
| C38 | C37 | C35 | 124.7° | 126.9° |
| C38 | C37 | C31 | 129.2° | 125.5° |
| O5 | C4 | O6 | 115.4° | 119.9° |
| C4 | O6 | H21 | 109.5° | 117.0° |
| C47 | N46 | N45 | 123.7° | 126.0° |
| N46 | C47 | H33 | 109.5° | 109.5° |
| N46 | C47 | H34 | 109.5° | 109.4° |
| N46 | C47 | H35 | 109.5° | 109.5° |
| N46 | N45 | C27 | 108.4° | 108.1° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C36 | C35 | C37 | 128.8° | 126.2° |
| C36 | C35 | N33 | 124.6° | 126.1° |
| C35 | C36 | H18 | 109.5° | 109.5° |
| C35 | C36 | H19 | 109.4° | 109.5° |
| C35 | C36 | H20 | 109.5° | 109.5° |
| N45 | C27 | C28 | 120.8° | 126.6° |
| C27 | C28 | S29 | 109.5° | 109.3° |
| C27 | C28 | H29 | 109.5° | 109.5° |
| C27 | C28 | H30 | 109.4° | 109.5° |
| C35 | C37 | C31 | 106.0° | 107.6° |
| C37 | C35 | N33 | 106.6° | 107.7° |
| C37 | C31 | C30 | 126.9° | 126.5° |
| C37 | C31 | N32 | 108.9° | 107.9° |
| C35 | N33 | N32 | 110.1° | 108.2° |
| C35 | N33 | C34 | 128.0° | 125.9° |
| C28 | S29 | C30 | 105.0° | 102.8° |
| S29 | C28 | H29 | 109.5° | 109.7° |
| S29 | C28 | H30 | 109.5° | 109.3° |
| C30 | C31 | N32 | 124.2° | 125.6° |
| C31 | C30 | S29 | 108.5° | 109.1° |
| C31 | C30 | H13 | 109.7° | 109.6° |
| C31 | C30 | H14 | 109.7° | 109.5° |
| C31 | N32 | N33 | 108.3° | 108.6° |
| S29 | C30 | H13 | 109.7° | 109.6° |
| S29 | C30 | H14 | 109.7° | 109.5° |
| N32 | N33 | C34 | 121.8° | 125.9° |
| N33 | C34 | H15 | 109.5° | 109.5° |
| N33 | C34 | H16 | 109.5° | 109.5° |
| N33 | C34 | H17 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.5° | 109.2° |
| H11 | C24 | H12 | 109.5° | 109.6° |
| H13 | C30 | H14 | 109.5° | 109.5° |
| H15 | C34 | H16 | 109.4° | 109.4° |
| H15 | C34 | H17 | 109.5° | 109.5° |
| H16 | C34 | H17 | 109.4° | 109.5° |
| H18 | C36 | H19 | 109.5° | 109.4° |
| H18 | C36 | H20 | 109.4° | 109.5° |
| H19 | C36 | H20 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.4° |
| H24 | C10 | H25 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H33 | C47 | H34 | 109.5° | 109.5° |
| H33 | C47 | H35 | 109.4° | 109.5° |
| H34 | C47 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F19 | C18 | C20 | C17 | 178.2° | 179.9° |
| F19 | C18 | C20 | C21 | 178.7° | 179.4° |
| F19 | C18 | C17 | C16 | 177.4° | 179.6° |
| F19 | C18 | C17 | H7 | 2.6° | 0.4° |
| F19 | C18 | C20 | H27 | 1.3° | 0.5° |
| C18 | C20 | C21 | H27 | 180.0° | 179.9° |
| C20 | C18 | C17 | C16 | 0.8° | 0.3° |
| C18 | C20 | C21 | C22 | 1.4° | 0.4° |
| C20 | C18 | C17 | H7 | 179.2° | 179.6° |
| C18 | C20 | C21 | H8 | 178.6° | 179.6° |
| C17 | C18 | C20 | C21 | 0.5° | 0.6° |
| C18 | C17 | C16 | H7 | 180.0° | 179.9° |
| C18 | C17 | C16 | C22 | 1.2° | 1.5° |
| C18 | C17 | C16 | C15 | 178.8° | 178.1° |
| C17 | C18 | C20 | H27 | 179.5° | 179.4° |
| C20 | C21 | C22 | H8 | 180.0° | 180.0° |
| C20 | C21 | C22 | C16 | 1.0° | 0.8° |
| C20 | C21 | C22 | C12 | 178.7° | 179.4° |
| C17 | C16 | C22 | C21 | 0.3° | 1.7° |
| C17 | C16 | C22 | C15 | 180.0° | 179.6° |
| C17 | C16 | C22 | C12 | 180.0° | 178.5° |
| C17 | C16 | C15 | C14 | 179.6° | 179.6° |
| C17 | C16 | C15 | H6 | 0.3° | 0.5° |
| C21 | C22 | C16 | C12 | 179.7° | 179.8° |
| C21 | C22 | C16 | C15 | 179.7° | 177.9° |
| C21 | C22 | C12 | O11 | 0.6° | 2.2° |
| C21 | C22 | C12 | C13 | 179.5° | 177.5° |
| C22 | C21 | C20 | H27 | 178.6° | 179.7° |
| C22 | C16 | C15 | C14 | 0.3° | 0.0° |
| C16 | C22 | C12 | O11 | 179.7° | 178.0° |
| C16 | C22 | C12 | C13 | 0.8° | 2.3° |
| C22 | C16 | C15 | H6 | 179.7° | 179.9° |
| C22 | C16 | C17 | H7 | 178.9° | 178.5° |
| C16 | C22 | C21 | H8 | 179.0° | 179.2° |
| C15 | C16 | C22 | C12 | 0.0° | 1.9° |
| C16 | C15 | C14 | H6 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.7° | 1.5° |
| C16 | C15 | C14 | C23 | 177.6° | 177.5° |
| C15 | C16 | C17 | H7 | 1.2° | 2.0° |
| C22 | C12 | O11 | C13 | 178.7° | 179.7° |
| C22 | C12 | O11 | C10 | 179.3° | 142.8° |
| C22 | C12 | C13 | C14 | 2.1° | 0.9° |
| C12 | C22 | C21 | H8 | 1.3° | 0.6° |
| C22 | C12 | C13 | H26 | 177.9° | 179.1° |
| C15 | C14 | C13 | C12 | 2.6° | 1.1° |
| C15 | C14 | C13 | C23 | 179.3° | 179.0° |
| C15 | C14 | C23 | C24 | 95.7° | 109.3° |
| C15 | C14 | C23 | H9 | 144.4° | 11.0° |
| C15 | C14 | C23 | H10 | 24.1° | 130.4° |
| C15 | C14 | C13 | H26 | 177.4° | 178.9° |
| O11 | C12 | C13 | C14 | 179.1° | 179.5° |
| C12 | O11 | C10 | C9 | 179.3° | 139.2° |
| C12 | O11 | C10 | H24 | 60.9° | 19.3° |
| C12 | O11 | C10 | H25 | 59.5° | 100.8° |
| O11 | C12 | C13 | H26 | 0.9° | 0.5° |
| C13 | C12 | O11 | C10 | 0.5° | 36.8° |
| C12 | C13 | C14 | H26 | 180.0° | 180.0° |
| C12 | C13 | C14 | C23 | 176.7° | 177.9° |
| O11 | C10 | C9 | H24 | 119.8° | 119.9° |
| O11 | C10 | C9 | H25 | 119.8° | 120.0° |
| O11 | C10 | C9 | C8 | 70.4° | 152.9° |
| O11 | C10 | C9 | H22 | 49.5° | 32.8° |
| O11 | C10 | C9 | H23 | 169.6° | 87.0° |
| O11 | C10 | H24 | H25 | 120.5° | 120.1° |
| C13 | C14 | C23 | C24 | 83.6° | 71.7° |
| C13 | C14 | C15 | H6 | 178.3° | 178.4° |
| C13 | C14 | C23 | H9 | 36.2° | 168.0° |
| C13 | C14 | C23 | H10 | 156.5° | 48.6° |
| C14 | C23 | C24 | H9 | 119.9° | 120.2° |
| C14 | C23 | C24 | H10 | 119.9° | 120.2° |
| C14 | C23 | C24 | C25 | 98.1° | 149.1° |
| C23 | C14 | C15 | H6 | 2.4° | 2.6° |
| C14 | C23 | H9 | H10 | 120.4° | 119.5° |
| C14 | C23 | C24 | H11 | 141.2° | 91.0° |
| C14 | C23 | C24 | H12 | 22.6° | 29.2° |
| C23 | C14 | C13 | H26 | 3.3° | 2.1° |
| C23 | C24 | C25 | H11 | 120.7° | 119.8° |
| C23 | C24 | C25 | H12 | 120.8° | 119.9° |
| C23 | C24 | C25 | C26 | 99.1° | 77.8° |
| C23 | C24 | C25 | N46 | 81.9° | 102.0° |
| C24 | C23 | H9 | H10 | 120.5° | 119.7° |
| C23 | C24 | H11 | H12 | 117.8° | 120.2° |
| C10 | C9 | C8 | H22 | 119.9° | 120.1° |
| C10 | C9 | C8 | H23 | 119.9° | 120.1° |
| C10 | C9 | C8 | N7 | 60.3° | 93.8° |
| C10 | C9 | C8 | H4 | 60.8° | 26.1° |
| C10 | C9 | C8 | H5 | 178.5° | 146.3° |
| C10 | C9 | H22 | H23 | 120.2° | 119.9° |
| C9 | C10 | H24 | H25 | 120.5° | 120.0° |
| C42 | C41 | C40 | H31 | 180.0° | 180.0° |
| C41 | C42 | C43 | H32 | 180.0° | 180.0° |
| C42 | C41 | C40 | N7 | 179.6° | 179.3° |
| C42 | C41 | C40 | C39 | 2.2° | 1.5° |
| C41 | C42 | C43 | CL44 | 179.1° | 179.5° |
| C41 | C42 | C43 | C38 | 3.7° | 0.7° |
| C41 | C40 | N7 | C8 | 1.6° | 4.8° |
| C40 | C41 | C42 | C43 | 3.2° | 0.6° |
| C41 | C40 | N7 | C39 | 177.6° | 179.3° |
| C41 | C40 | N7 | C3 | 179.2° | 175.2° |
| C41 | C40 | C39 | C38 | 1.8° | 3.5° |
| C41 | C40 | C39 | C2 | 179.7° | 175.8° |
| C40 | C41 | C42 | H32 | 176.8° | 179.4° |
| C9 | C8 | N7 | H4 | 121.2° | 119.9° |
| C9 | C8 | N7 | H5 | 121.2° | 120.0° |
| C9 | C8 | N7 | C40 | 100.1° | 90.8° |
| C9 | C8 | N7 | C3 | 82.7° | 89.3° |
| C9 | C8 | H4 | H5 | 116.4° | 120.2° |
| C8 | C9 | H22 | H23 | 120.3° | 119.8° |
| C8 | C9 | C10 | H24 | 169.7° | 87.1° |
| C8 | C9 | C10 | H25 | 49.4° | 32.9° |
| C8 | N7 | C40 | C3 | 177.7° | 180.0° |
| C8 | N7 | C40 | C39 | 176.0° | 176.0° |
| C8 | N7 | C3 | C4 | 5.9° | 3.0° |
| C8 | N7 | C3 | C2 | 176.7° | 177.0° |
| N7 | C8 | H4 | H5 | 116.4° | 120.1° |
| N7 | C8 | C9 | H22 | 179.8° | 146.0° |
| N7 | C8 | C9 | H23 | 59.6° | 26.2° |
| C42 | C43 | CL44 | C38 | 175.1° | 179.8° |
| C42 | C43 | C38 | C39 | 3.3° | 1.3° |
| C42 | C43 | C38 | C37 | 179.1° | 177.7° |
| C43 | C42 | C41 | H31 | 176.8° | 179.3° |
| C24 | C25 | C26 | N46 | 179.1° | 179.9° |
| C24 | C25 | C26 | C27 | 179.6° | 179.5° |
| C24 | C25 | N46 | C47 | 1.8° | 0.6° |
| C24 | C25 | N46 | N45 | 179.0° | 179.4° |
| C25 | C24 | C23 | H9 | 21.7° | 90.7° |
| C25 | C24 | C23 | H10 | 142.0° | 28.9° |
| C25 | C24 | H11 | H12 | 117.7° | 120.2° |
| C24 | C25 | C26 | H28 | 0.4° | 0.5° |
| N7 | C40 | C39 | C38 | 179.7° | 177.1° |
| N7 | C40 | C39 | C2 | 1.7° | 3.6° |
| C40 | N7 | C3 | C4 | 176.5° | 176.9° |
| C40 | N7 | C3 | C2 | 0.9° | 3.1° |
| C40 | N7 | C8 | H4 | 21.1° | 149.3° |
| C40 | N7 | C8 | H5 | 138.7° | 29.2° |
| N7 | C40 | C41 | H31 | 0.4° | 0.7° |
| C39 | C40 | N7 | C3 | 1.6° | 4.1° |
| C40 | C39 | C38 | C43 | 2.4° | 3.4° |
| C40 | C39 | C38 | C2 | 178.1° | 179.2° |
| C40 | C39 | C2 | C3 | 1.2° | 1.7° |
| C40 | C39 | C38 | C37 | 178.1° | 175.6° |
| C40 | C39 | C2 | C1 | 175.4° | 178.0° |
| C39 | C40 | C41 | H31 | 177.8° | 178.5° |
| N7 | C3 | C2 | C39 | 0.2° | 0.8° |
| N7 | C3 | C4 | C2 | 177.0° | 180.0° |
| N7 | C3 | C4 | O5 | 46.1° | 180.0° |
| N7 | C3 | C4 | O6 | 136.5° | 0.1° |
| N7 | C3 | C2 | C1 | 176.5° | 179.5° |
| C3 | N7 | C8 | H4 | 156.1° | 30.7° |
| C3 | N7 | C8 | H5 | 38.4° | 150.8° |
| CL44 | C43 | C38 | C39 | 178.4° | 178.5° |
| CL44 | C43 | C38 | C37 | 5.8° | 2.5° |
| CL44 | C43 | C42 | H32 | 0.9° | 0.5° |
| C43 | C38 | C39 | C37 | 175.7° | 179.0° |
| C43 | C38 | C39 | C2 | 179.6° | 175.7° |
| C43 | C38 | C37 | C35 | 105.7° | 42.0° |
| C43 | C38 | C37 | C31 | 75.7° | 135.8° |
| C38 | C43 | C42 | H32 | 176.3° | 179.3° |
| C25 | C26 | C27 | H28 | 180.0° | 180.0° |
| C26 | C25 | N46 | C47 | 179.1° | 179.5° |
| C26 | C25 | N46 | N45 | 1.9° | 0.5° |
| C25 | C26 | C27 | N45 | 0.2° | 0.0° |
| C25 | C26 | C27 | C28 | 179.4° | 179.8° |
| C26 | C25 | C24 | H11 | 140.1° | 162.3° |
| C26 | C25 | C24 | H12 | 21.6° | 42.1° |
| N46 | C25 | C26 | C27 | 1.3° | 0.3° |
| C25 | N46 | C47 | N45 | 176.8° | 180.0° |
| C25 | N46 | N45 | C27 | 1.8° | 0.5° |
| N46 | C25 | C24 | H11 | 38.8° | 17.8° |
| N46 | C25 | C24 | H12 | 157.3° | 138.1° |
| N46 | C25 | C26 | H28 | 178.7° | 179.7° |
| C25 | N46 | C47 | H33 | 176.8° | 90.0° |
| C25 | N46 | C47 | H34 | 56.8° | 150.0° |
| C25 | N46 | C47 | H35 | 63.2° | 30.0° |
| C26 | C27 | N45 | N46 | 0.9° | 0.2° |
| C26 | C27 | N45 | C28 | 179.3° | 179.9° |
| C26 | C27 | C28 | S29 | 106.7° | 45.1° |
| C26 | C27 | C28 | H29 | 13.4° | 75.1° |
| C26 | C27 | C28 | H30 | 133.3° | 164.8° |
| C38 | C39 | C2 | C3 | 179.4° | 179.0° |
| C38 | C39 | C2 | C1 | 2.8° | 1.2° |
| C39 | C38 | C37 | C35 | 70.1° | 138.9° |
| C39 | C38 | C37 | C31 | 108.5° | 43.3° |
| C39 | C2 | C3 | C4 | 177.5° | 179.2° |
| C39 | C2 | C3 | C1 | 176.8° | 179.8° |
| C2 | C39 | C38 | C37 | 3.9° | 5.2° |
| C39 | C2 | C1 | H1 | 92.2° | 105.9° |
| C39 | C2 | C1 | H2 | 147.8° | 14.1° |
| C39 | C2 | C1 | H3 | 27.9° | 134.1° |
| C3 | C4 | O5 | O6 | 177.6° | 179.9° |
| C4 | C3 | C2 | C1 | 0.7° | 0.5° |
| C3 | C4 | O6 | H21 | 177.5° | 180.0° |
| C2 | C3 | C4 | O5 | 130.9° | 0.0° |
| C2 | C3 | C4 | O6 | 46.5° | 179.9° |
| C3 | C2 | C1 | H1 | 91.8° | 74.4° |
| C3 | C2 | C1 | H2 | 28.2° | 165.6° |
| C3 | C2 | C1 | H3 | 148.2° | 45.6° |
| C38 | C37 | C35 | C36 | 1.7° | 0.4° |
| C38 | C37 | C35 | C31 | 178.9° | 178.1° |
| C38 | C37 | C35 | N33 | 177.5° | 179.6° |
| C38 | C37 | C31 | C30 | 0.6° | 0.6° |
| C38 | C37 | C31 | N32 | 178.2° | 180.0° |
| O5 | C4 | O6 | H21 | 0.0° | 0.1° |
| C47 | N46 | N45 | C27 | 179.1° | 179.5° |
| N46 | C47 | H33 | H34 | 120.0° | 119.9° |
| N46 | C47 | H33 | H35 | 120.0° | 120.0° |
| N46 | C47 | H34 | H35 | 120.0° | 120.0° |
| N46 | N45 | C27 | C28 | 178.4° | 179.9° |
| N45 | N46 | C47 | H33 | 0.0° | 90.0° |
| N45 | N46 | C47 | H34 | 120.0° | 30.0° |
| N45 | N46 | C47 | H35 | 120.0° | 150.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C36 | C35 | C37 | N33 | 179.1° | 180.0° |
| C36 | C35 | C37 | C31 | 179.4° | 178.5° |
| C36 | C35 | N33 | N32 | 179.1° | 179.3° |
| C36 | C35 | N33 | C34 | 1.6° | 0.7° |
| C35 | C36 | H18 | H19 | 120.0° | 120.0° |
| C35 | C36 | H18 | H20 | 120.0° | 120.1° |
| C35 | C36 | H19 | H20 | 120.0° | 120.1° |
| N45 | C27 | C28 | S29 | 72.5° | 135.1° |
| N45 | C27 | C26 | H28 | 179.8° | 180.0° |
| N45 | C27 | C28 | H29 | 167.5° | 104.8° |
| N45 | C27 | C28 | H30 | 47.5° | 15.3° |
| C27 | C28 | S29 | H29 | 120.0° | 120.0° |
| C27 | C28 | S29 | H30 | 120.0° | 119.9° |
| C27 | C28 | S29 | C30 | 67.0° | 111.7° |
| C28 | C27 | C26 | H28 | 0.6° | 0.1° |
| C27 | C28 | H29 | H30 | 120.0° | 120.1° |
| C35 | C37 | C31 | C30 | 179.4° | 177.5° |
| C35 | C37 | C31 | N32 | 0.6° | 1.8° |
| C37 | C35 | N33 | N32 | 1.7° | 0.7° |
| C37 | C35 | N33 | C34 | 179.2° | 179.3° |
| C37 | C35 | C36 | H18 | 89.4° | 97.5° |
| C37 | C35 | C36 | H19 | 150.5° | 22.4° |
| C37 | C35 | C36 | H20 | 30.5° | 142.4° |
| C31 | C37 | C35 | N33 | 1.4° | 1.5° |
| C37 | C31 | C30 | N32 | 178.6° | 179.2° |
| C37 | C31 | C30 | S29 | 95.3° | 112.3° |
| C37 | C31 | N32 | N33 | 0.4° | 1.3° |
| C37 | C31 | C30 | H13 | 24.5° | 127.7° |
| C37 | C31 | C30 | H14 | 144.8° | 7.6° |
| C35 | N33 | N32 | C31 | 1.4° | 0.4° |
| C35 | N33 | N32 | C34 | 177.7° | 180.0° |
| C35 | N33 | C34 | H15 | 177.3° | 90.0° |
| C35 | N33 | C34 | H16 | 57.3° | 150.0° |
| C35 | N33 | C34 | H17 | 62.7° | 30.0° |
| N33 | C35 | C36 | H18 | 89.6° | 82.5° |
| N33 | C35 | C36 | H19 | 30.5° | 157.5° |
| N33 | C35 | C36 | H20 | 150.5° | 37.5° |
| C28 | S29 | C30 | C31 | 94.2° | 125.8° |
| C28 | S29 | C30 | H13 | 25.7° | 5.8° |
| C28 | S29 | C30 | H14 | 146.0° | 114.4° |
| S29 | C28 | H29 | H30 | 120.0° | 120.0° |
| C31 | C30 | S29 | H13 | 119.8° | 120.0° |
| C31 | C30 | S29 | H14 | 119.9° | 119.8° |
| C30 | C31 | N32 | N33 | 178.4° | 178.0° |
| C31 | C30 | H13 | H14 | 120.5° | 120.1° |
| N32 | C31 | C30 | S29 | 83.3° | 66.9° |
| C31 | N32 | N33 | C34 | 179.1° | 179.6° |
| N32 | C31 | C30 | H13 | 156.9° | 53.1° |
| N32 | C31 | C30 | H14 | 36.6° | 173.2° |
| S29 | C30 | H13 | H14 | 120.4° | 120.2° |
| C30 | S29 | C28 | H29 | 53.1° | 8.3° |
| C30 | S29 | C28 | H30 | 173.1° | 128.5° |
| N32 | N33 | C34 | H15 | 0.0° | 90.0° |
| N32 | N33 | C34 | H16 | 120.0° | 30.0° |
| N32 | N33 | C34 | H17 | 120.0° | 150.0° |
| N33 | C34 | H15 | H16 | 120.0° | 120.0° |
| N33 | C34 | H15 | H17 | 120.0° | 120.0° |
| N33 | C34 | H16 | H17 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C8 | C9 | H22 | 59.1° | 94.0° |
| H4 | C8 | C9 | H23 | 179.3° | 146.2° |
| H5 | C8 | C9 | H22 | 58.6° | 26.1° |
| H5 | C8 | C9 | H23 | 61.6° | 93.7° |
| H8 | C21 | C20 | H27 | 1.4° | 0.3° |
| H9 | C23 | C24 | H11 | 99.0° | 29.2° |
| H9 | C23 | C24 | H12 | 142.5° | 149.4° |
| H10 | C23 | C24 | H11 | 21.3° | 148.7° |
| H10 | C23 | C24 | H12 | 97.2° | 91.0° |
| H15 | C34 | H16 | H17 | 120.0° | 120.0° |
| H18 | C36 | H19 | H20 | 120.0° | 119.9° |
| H22 | C9 | C10 | H24 | 70.4° | 152.8° |
| H22 | C9 | C10 | H25 | 169.3° | 87.2° |
| H23 | C9 | C10 | H24 | 49.8° | 32.9° |
| H23 | C9 | C10 | H25 | 70.6° | 153.0° |
| H31 | C41 | C42 | H32 | 3.2° | 0.6° |
| H33 | C47 | H34 | H35 | 119.9° | 120.1° |
