A1ILW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | O4 | doub | 1.21Å | 1.23Å | |
| C3 | N5 | sing | 1.35Å | 1.37Å | |
| N5 | C6 | sing | 1.40Å | 1.43Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | F12 | sing | 1.35Å | 1.35Å | |
| C9 | O13 | sing | 1.36Å | 1.36Å | |
| O13 | C14 | sing | 1.43Å | 1.46Å | |
| C14 | C15 | sing | 1.55Å | 1.53Å | |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C17 | C18 | sing | 1.54Å | 1.52Å | |
| C17 | N19 | sing | 1.46Å | 1.46Å | |
| N19 | C20 | sing | 1.35Å | 1.35Å | |
| C20 | O21 | doub | 1.22Å | 1.23Å | |
| C20 | N22 | sing | 1.35Å | 1.34Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C24 | C25 | sing | 1.55Å | 1.51Å | |
| C25 | S26 | sing | 1.83Å | 1.78Å | |
| S26 | O27 | doub | 1.42Å | 1.43Å | |
| S26 | O28 | doub | 1.42Å | 1.44Å | |
| S26 | C29 | sing | 1.83Å | 1.78Å | |
| N5 | C30 | sing | 1.47Å | 1.48Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C32 | O33 | doub | 1.21Å | 1.24Å | |
| C32 | N34 | sing | 1.35Å | 1.32Å | |
| C30 | C35 | sing | 1.51Å | 1.52Å | |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.37Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | CL41 | sing | 1.74Å | 1.74Å | |
| C11 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C14 | sing | 1.54Å | 1.54Å | |
| C29 | C23 | sing | 1.54Å | 1.52Å | |
| C40 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| N34 | H34A | sing | 0.97Å | 1.00Å | |
| N34 | H34B | sing | 0.97Å | 1.00Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 115.1° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C1 | C2 | H2A | 108.1° | 109.5° |
| C1 | C2 | H2B | 108.1° | 109.5° |
| C2 | C3 | O4 | 120.8° | 120.0° |
| C2 | C3 | N5 | 117.9° | 120.0° |
| C3 | C2 | H2A | 108.1° | 109.4° |
| C3 | C2 | H2B | 108.1° | 109.5° |
| O4 | C3 | N5 | 121.3° | 120.0° |
| C3 | N5 | C6 | 121.5° | 120.0° |
| C3 | N5 | C30 | 119.8° | 120.0° |
| N5 | C6 | C7 | 120.7° | 119.9° |
| C6 | N5 | C30 | 118.6° | 120.1° |
| N5 | C6 | C11 | 119.4° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C7 | C6 | C11 | 119.9° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.1° |
| C7 | C8 | C9 | 120.1° | 120.0° |
| C8 | C7 | H7 | 119.9° | 120.0° |
| C7 | C8 | H8 | 120.0° | 120.0° |
| C8 | C9 | C10 | 118.5° | 120.0° |
| C8 | C9 | O13 | 125.2° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.0° |
| C9 | C10 | C11 | 122.8° | 120.0° |
| C9 | C10 | F12 | 118.2° | 120.0° |
| C10 | C9 | O13 | 116.3° | 120.0° |
| C11 | C10 | F12 | 118.9° | 120.0° |
| C10 | C11 | C6 | 118.4° | 120.0° |
| C10 | C11 | H11 | 120.8° | 120.0° |
| C9 | O13 | C14 | 119.3° | 117.0° |
| O13 | C14 | C15 | 105.1° | 110.5° |
| O13 | C14 | C18 | 109.7° | 110.6° |
| O13 | C14 | H14 | 112.7° | 110.4° |
| C14 | C15 | C16 | 103.0° | 102.7° |
| C15 | C14 | C18 | 106.0° | 104.2° |
| C15 | C14 | H14 | 111.5° | 110.5° |
| C14 | C15 | H15B | 111.1° | 110.7° |
| C14 | C15 | H15A | 111.0° | 110.7° |
| C15 | C16 | C17 | 103.1° | 104.2° |
| C16 | C15 | H15B | 111.1° | 110.8° |
| C16 | C15 | H15A | 111.1° | 110.8° |
| C15 | C16 | H16B | 111.0° | 110.4° |
| C15 | C16 | H16A | 111.1° | 110.5° |
| C16 | C17 | C18 | 104.6° | 106.6° |
| C16 | C17 | N19 | 110.9° | 110.1° |
| C17 | C16 | H16B | 111.0° | 110.5° |
| C17 | C16 | H16A | 111.0° | 110.5° |
| C16 | C17 | H17 | 109.2° | 110.1° |
| C18 | C17 | N19 | 112.5° | 110.0° |
| C17 | C18 | C14 | 106.5° | 106.6° |
| C18 | C17 | H17 | 109.3° | 110.0° |
| C17 | C18 | H18B | 110.2° | 110.0° |
| C17 | C18 | H18A | 110.2° | 110.1° |
| C17 | N19 | C20 | 121.6° | 120.0° |
| N19 | C17 | H17 | 110.1° | 110.1° |
| C17 | N19 | H19 | 119.2° | 120.0° |
| N19 | C20 | O21 | 122.9° | 120.0° |
| N19 | C20 | N22 | 114.3° | 120.0° |
| C20 | N19 | H19 | 119.2° | 120.0° |
| O21 | C20 | N22 | 122.8° | 120.1° |
| C20 | N22 | C23 | 120.5° | 120.0° |
| C20 | N22 | H22 | 119.8° | 120.1° |
| N22 | C23 | C24 | 112.6° | 109.6° |
| N22 | C23 | C29 | 112.0° | 109.7° |
| C23 | N22 | H22 | 119.7° | 120.0° |
| N22 | C23 | H23 | 109.1° | 109.7° |
| C23 | C24 | C25 | 109.4° | 106.7° |
| C24 | C23 | C29 | 106.1° | 108.7° |
| C23 | C24 | H24B | 109.5° | 110.0° |
| C23 | C24 | H24A | 109.5° | 110.1° |
| C24 | C23 | H23 | 108.4° | 109.6° |
| C24 | C25 | S26 | 104.0° | 102.6° |
| C25 | C24 | H24B | 109.5° | 110.0° |
| C25 | C24 | H24A | 109.5° | 110.1° |
| C24 | C25 | H25B | 110.8° | 110.8° |
| C24 | C25 | H25A | 110.8° | 110.7° |
| C25 | S26 | O27 | 109.8° | 109.4° |
| C25 | S26 | O28 | 110.2° | 109.4° |
| C25 | S26 | C29 | 96.9° | 97.0° |
| S26 | C25 | H25B | 110.8° | 110.8° |
| S26 | C25 | H25A | 110.8° | 110.8° |
| O27 | S26 | O28 | 118.6° | 119.9° |
| O27 | S26 | C29 | 109.7° | 109.4° |
| O28 | S26 | C29 | 109.6° | 109.5° |
| S26 | C29 | C23 | 107.2° | 105.1° |
| S26 | C29 | H29B | 110.1° | 110.4° |
| S26 | C29 | H29A | 110.0° | 110.3° |
| N5 | C30 | C31 | 106.5° | 109.5° |
| N5 | C30 | C35 | 112.1° | 109.5° |
| N5 | C30 | H30 | 108.4° | 109.4° |
| C30 | C31 | C32 | 114.5° | 109.5° |
| C31 | C30 | C35 | 114.1° | 109.5° |
| C31 | C30 | H30 | 107.7° | 109.5° |
| C30 | C31 | H31A | 108.2° | 109.5° |
| C30 | C31 | H31B | 108.2° | 109.4° |
| C31 | C32 | O33 | 120.5° | 120.1° |
| C31 | C32 | N34 | 116.4° | 120.0° |
| C32 | C31 | H31A | 108.2° | 109.5° |
| C32 | C31 | H31B | 108.2° | 109.4° |
| O33 | C32 | N34 | 123.1° | 120.0° |
| C32 | N34 | H34A | 120.0° | 120.0° |
| C32 | N34 | H34B | 120.0° | 120.0° |
| C30 | C35 | C36 | 121.2° | 120.0° |
| C30 | C35 | C40 | 120.4° | 120.0° |
| C35 | C30 | H30 | 107.8° | 109.5° |
| C35 | C36 | C37 | 121.2° | 120.0° |
| C36 | C35 | C40 | 118.1° | 120.0° |
| C35 | C36 | H36 | 119.4° | 120.0° |
| C36 | C37 | C38 | 119.2° | 120.0° |
| C37 | C36 | H36 | 119.4° | 120.0° |
| C36 | C37 | H37 | 120.4° | 120.0° |
| C37 | C38 | C39 | 121.2° | 120.0° |
| C37 | C38 | CL41 | 119.3° | 120.0° |
| C38 | C37 | H37 | 120.4° | 120.0° |
| C38 | C39 | C40 | 119.2° | 119.9° |
| C39 | C38 | CL41 | 119.4° | 120.0° |
| C38 | C39 | H39 | 120.4° | 120.0° |
| C39 | C40 | C35 | 121.2° | 120.1° |
| C40 | C39 | H39 | 120.4° | 120.0° |
| C39 | C40 | H40 | 119.4° | 120.0° |
| C6 | C11 | H11 | 120.8° | 120.0° |
| C18 | C14 | H14 | 111.4° | 110.5° |
| C14 | C18 | H18B | 110.2° | 110.0° |
| C14 | C18 | H18A | 110.2° | 110.0° |
| C29 | C23 | H23 | 108.4° | 109.5° |
| C23 | C29 | H29B | 110.0° | 110.3° |
| C23 | C29 | H29A | 110.0° | 110.3° |
| C35 | C40 | H40 | 119.4° | 120.0° |
| H1B | C1 | H1A | 109.4° | 109.4° |
| H1B | C1 | H1C | 109.5° | 109.4° |
| H1A | C1 | H1C | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.4° | 109.5° |
| H15B | C15 | H15A | 109.4° | 110.8° |
| H16B | C16 | H16A | 109.5° | 110.5° |
| H24B | C24 | H24A | 109.4° | 110.0° |
| H31A | C31 | H31B | 109.5° | 109.5° |
| H18B | C18 | H18A | 109.5° | 110.0° |
| H25B | C25 | H25A | 109.5° | 110.8° |
| H29B | C29 | H29A | 109.5° | 110.4° |
| H34A | N34 | H34B | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2A | 120.8° | 120.0° |
| C1 | C2 | C3 | H2B | 120.8° | 120.0° |
| C1 | C2 | C3 | O4 | 32.8° | 60.2° |
| C1 | C2 | C3 | N5 | 145.8° | 119.8° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C1 | C2 | H2A | H2B | 117.5° | 120.0° |
| C2 | C3 | O4 | N5 | 178.5° | 180.0° |
| C2 | C3 | N5 | C6 | 0.2° | 2.3° |
| C2 | C3 | N5 | C30 | 178.4° | 177.7° |
| C3 | C2 | C1 | H1B | 180.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 60.0° |
| C3 | C2 | C1 | H1C | 60.0° | 180.0° |
| C3 | C2 | H2A | H2B | 117.4° | 120.0° |
| O4 | C3 | N5 | C6 | 178.3° | 177.7° |
| O4 | C3 | N5 | C30 | 3.1° | 2.3° |
| O4 | C3 | C2 | H2A | 88.0° | 179.8° |
| O4 | C3 | C2 | H2B | 153.6° | 59.8° |
| C3 | N5 | C6 | C30 | 178.6° | 180.0° |
| C3 | N5 | C6 | C7 | 81.8° | 116.8° |
| C3 | N5 | C30 | C31 | 113.9° | 30.8° |
| C3 | N5 | C30 | C35 | 120.7° | 89.2° |
| C3 | N5 | C6 | C11 | 100.8° | 63.7° |
| N5 | C3 | C2 | H2A | 93.4° | 0.2° |
| N5 | C3 | C2 | H2B | 24.9° | 120.2° |
| C3 | N5 | C30 | H30 | 1.8° | 150.8° |
| N5 | C6 | C7 | C11 | 177.4° | 179.5° |
| N5 | C6 | C7 | C8 | 176.8° | 180.0° |
| N5 | C6 | C11 | C10 | 176.9° | 180.0° |
| C6 | N5 | C30 | C31 | 64.7° | 149.2° |
| C6 | N5 | C30 | C35 | 60.7° | 90.8° |
| N5 | C6 | C7 | H7 | 3.2° | 0.3° |
| N5 | C6 | C11 | H11 | 3.2° | 0.2° |
| C6 | N5 | C30 | H30 | 179.6° | 29.2° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 0.6° | 0.2° |
| C7 | C6 | C11 | C10 | 0.6° | 0.5° |
| C7 | C6 | N5 | C30 | 96.8° | 63.2° |
| C6 | C7 | C8 | H8 | 179.5° | 179.8° |
| C7 | C6 | C11 | H11 | 179.4° | 179.8° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | O13 | 178.7° | 180.0° |
| C8 | C7 | C6 | C11 | 0.6° | 0.5° |
| C8 | C9 | C10 | O13 | 179.2° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.0° |
| C8 | C9 | C10 | F12 | 179.7° | 180.0° |
| C8 | C9 | O13 | C14 | 2.1° | 0.8° |
| C9 | C8 | C7 | H7 | 179.4° | 179.9° |
| C9 | C10 | C11 | F12 | 179.3° | 180.0° |
| C10 | C9 | O13 | C14 | 177.0° | 179.2° |
| C9 | C10 | C11 | C6 | 0.5° | 0.2° |
| C10 | C9 | C8 | H8 | 179.6° | 180.0° |
| C9 | C10 | C11 | H11 | 179.5° | 180.0° |
| C11 | C10 | C9 | O13 | 178.8° | 180.0° |
| C10 | C11 | C6 | H11 | 180.0° | 179.8° |
| F12 | C10 | C9 | O13 | 0.6° | 0.0° |
| F12 | C10 | C11 | C6 | 179.8° | 179.8° |
| F12 | C10 | C11 | H11 | 0.2° | 0.0° |
| C9 | O13 | C14 | C15 | 169.6° | 90.6° |
| C9 | O13 | C14 | C18 | 76.8° | 154.5° |
| O13 | C9 | C8 | H8 | 1.3° | 0.0° |
| C9 | O13 | C14 | H14 | 48.0° | 31.9° |
| O13 | C14 | C15 | C18 | 116.1° | 118.8° |
| O13 | C14 | C15 | H14 | 122.4° | 122.5° |
| O13 | C14 | C15 | C16 | 87.2° | 156.8° |
| O13 | C14 | C18 | C17 | 106.8° | 142.4° |
| O13 | C14 | C18 | H14 | 125.5° | 122.6° |
| O13 | C14 | C15 | H15B | 31.8° | 38.4° |
| O13 | C14 | C15 | H15A | 153.8° | 84.9° |
| O13 | C14 | C18 | H18B | 12.7° | 98.3° |
| O13 | C14 | C18 | H18A | 133.7° | 23.0° |
| C14 | C15 | C16 | H15B | 119.0° | 118.3° |
| C14 | C15 | C16 | H15A | 118.9° | 118.3° |
| C14 | C15 | C16 | C17 | 40.8° | 38.0° |
| C15 | C14 | C18 | C17 | 6.2° | 23.6° |
| C15 | C14 | C18 | H14 | 121.5° | 118.7° |
| C14 | C15 | H15B | H15A | 123.0° | 123.3° |
| C14 | C15 | C16 | H16B | 78.2° | 156.6° |
| C14 | C15 | C16 | H16A | 159.7° | 80.8° |
| C15 | C14 | C18 | H18B | 125.7° | 142.9° |
| C15 | C14 | C18 | H18A | 113.4° | 95.7° |
| C15 | C16 | C17 | H16B | 119.0° | 118.7° |
| C15 | C16 | C17 | H16A | 119.0° | 118.7° |
| C15 | C16 | C17 | C18 | 37.2° | 23.6° |
| C15 | C16 | C17 | N19 | 84.4° | 142.9° |
| C16 | C15 | C14 | C18 | 28.9° | 37.9° |
| C16 | C15 | C14 | H14 | 150.4° | 80.7° |
| C16 | C15 | H15B | H15A | 123.0° | 123.4° |
| C15 | C16 | H16B | H16A | 123.0° | 122.6° |
| C15 | C16 | C17 | H17 | 154.1° | 95.6° |
| C16 | C17 | C18 | N19 | 120.5° | 119.3° |
| C16 | C17 | C18 | H17 | 116.9° | 119.3° |
| C16 | C17 | N19 | H17 | 121.1° | 121.5° |
| C16 | C17 | N19 | C20 | 92.4° | 86.5° |
| C16 | C17 | C18 | C14 | 19.2° | 0.0° |
| C17 | C16 | C15 | H15B | 159.7° | 80.3° |
| C17 | C16 | C15 | H15A | 78.2° | 156.2° |
| C17 | C16 | H16B | H16A | 123.0° | 122.6° |
| C16 | C17 | C18 | H18B | 100.4° | 119.3° |
| C16 | C17 | C18 | H18A | 138.7° | 119.3° |
| C16 | C17 | N19 | H19 | 87.6° | 93.5° |
| C18 | C17 | N19 | H17 | 122.2° | 121.4° |
| C18 | C17 | N19 | C20 | 150.8° | 156.4° |
| C17 | C18 | C14 | H18B | 119.5° | 119.3° |
| C17 | C18 | C14 | H18A | 119.5° | 119.3° |
| C17 | C18 | C14 | H14 | 127.7° | 95.0° |
| C18 | C17 | C16 | H16B | 81.8° | 142.3° |
| C18 | C17 | C16 | H16A | 156.2° | 95.1° |
| C17 | C18 | H18B | H18A | 121.4° | 121.4° |
| C18 | C17 | N19 | H19 | 29.2° | 23.7° |
| C17 | N19 | C20 | H19 | 180.0° | 179.9° |
| C17 | N19 | C20 | O21 | 0.6° | 0.0° |
| C17 | N19 | C20 | N22 | 179.4° | 179.9° |
| N19 | C17 | C18 | C14 | 101.3° | 119.3° |
| N19 | C17 | C16 | H16B | 156.7° | 98.4° |
| N19 | C17 | C16 | H16A | 34.6° | 24.2° |
| N19 | C17 | C18 | H18B | 139.2° | 0.0° |
| N19 | C17 | C18 | H18A | 18.2° | 121.4° |
| N19 | C20 | O21 | N22 | 180.0° | 180.0° |
| N19 | C20 | N22 | C23 | 164.6° | 180.0° |
| C20 | N19 | C17 | H17 | 28.6° | 35.0° |
| N19 | C20 | N22 | H22 | 15.4° | 0.0° |
| O21 | C20 | N22 | C23 | 15.4° | 0.0° |
| O21 | C20 | N19 | H19 | 179.4° | 179.9° |
| O21 | C20 | N22 | H22 | 164.6° | 180.0° |
| C20 | N22 | C23 | H22 | 180.0° | 180.0° |
| C20 | N22 | C23 | C24 | 153.9° | 155.0° |
| C20 | N22 | C23 | C29 | 86.5° | 85.8° |
| N22 | C20 | N19 | H19 | 0.6° | 0.0° |
| C20 | N22 | C23 | H23 | 33.5° | 34.6° |
| N22 | C23 | C24 | C29 | 122.9° | 119.9° |
| N22 | C23 | C24 | H23 | 120.8° | 120.4° |
| N22 | C23 | C24 | C25 | 79.3° | 167.0° |
| N22 | C23 | C29 | S26 | 94.2° | 147.7° |
| N22 | C23 | C29 | H23 | 120.5° | 120.4° |
| N22 | C23 | C24 | H24B | 40.7° | 47.7° |
| N22 | C23 | C24 | H24A | 160.7° | 73.6° |
| N22 | C23 | C29 | H29B | 25.5° | 93.3° |
| N22 | C23 | C29 | H29A | 146.2° | 28.9° |
| C23 | C24 | C25 | H24B | 120.0° | 119.3° |
| C23 | C24 | C25 | H24A | 120.0° | 119.4° |
| C23 | C24 | C25 | S26 | 37.0° | 42.4° |
| C24 | C23 | C29 | S26 | 29.1° | 27.9° |
| C24 | C23 | C29 | H23 | 116.3° | 119.7° |
| C23 | C24 | H24B | H24A | 120.1° | 121.4° |
| C24 | C23 | N22 | H22 | 26.1° | 25.0° |
| C23 | C24 | C25 | H25B | 82.1° | 160.7° |
| C23 | C24 | C25 | H25A | 156.1° | 75.8° |
| C24 | C23 | C29 | H29B | 148.7° | 146.8° |
| C24 | C23 | C29 | H29A | 90.6° | 91.0° |
| C24 | C25 | S26 | H25B | 119.1° | 118.3° |
| C24 | C25 | S26 | H25A | 119.1° | 118.2° |
| C24 | C25 | S26 | O27 | 130.6° | 90.2° |
| C24 | C25 | S26 | O28 | 97.1° | 136.7° |
| C24 | C25 | S26 | C29 | 16.7° | 23.2° |
| C25 | C24 | C23 | C29 | 43.6° | 47.2° |
| C25 | C24 | H24B | H24A | 120.0° | 121.4° |
| C25 | C24 | C23 | H23 | 159.8° | 72.5° |
| C24 | C25 | H25B | H25A | 122.5° | 123.4° |
| C25 | S26 | O27 | O28 | 127.8° | 127.4° |
| C25 | S26 | O27 | C29 | 105.4° | 105.1° |
| C25 | S26 | O28 | C29 | 105.5° | 105.2° |
| C25 | S26 | C29 | C23 | 7.2° | 2.1° |
| S26 | C25 | C24 | H24B | 157.0° | 76.9° |
| S26 | C25 | C24 | H24A | 83.0° | 161.8° |
| S26 | C25 | H25B | H25A | 122.5° | 123.4° |
| C25 | S26 | C29 | H29B | 126.8° | 121.0° |
| C25 | S26 | C29 | H29A | 112.4° | 116.8° |
| O27 | S26 | O28 | C29 | 126.9° | 127.5° |
| O27 | S26 | C29 | C23 | 106.7° | 115.5° |
| O27 | S26 | C25 | H25B | 11.4° | 28.1° |
| O27 | S26 | C25 | H25A | 110.3° | 151.6° |
| O27 | S26 | C29 | H29B | 12.9° | 125.5° |
| O27 | S26 | C29 | H29A | 133.7° | 3.4° |
| O28 | S26 | C29 | C23 | 121.5° | 111.3° |
| O28 | S26 | C25 | H25B | 143.7° | 105.0° |
| O28 | S26 | C25 | H25A | 22.0° | 18.5° |
| O28 | S26 | C29 | H29B | 118.8° | 7.6° |
| O28 | S26 | C29 | H29A | 1.9° | 129.8° |
| S26 | C29 | C23 | H29B | 119.7° | 119.0° |
| S26 | C29 | C23 | H29A | 119.6° | 118.9° |
| S26 | C29 | C23 | H23 | 145.4° | 91.8° |
| C29 | S26 | C25 | H25B | 102.4° | 141.5° |
| C29 | S26 | C25 | H25A | 135.9° | 95.0° |
| S26 | C29 | H29B | H29A | 121.1° | 122.2° |
| N5 | C30 | C31 | C35 | 124.2° | 120.0° |
| N5 | C30 | C31 | H30 | 116.1° | 119.9° |
| N5 | C30 | C31 | C32 | 172.6° | 50.6° |
| N5 | C30 | C35 | H30 | 119.2° | 119.9° |
| N5 | C30 | C35 | C36 | 100.6° | 142.0° |
| C30 | N5 | C6 | C11 | 80.6° | 116.3° |
| N5 | C30 | C35 | C40 | 72.1° | 38.2° |
| N5 | C30 | C31 | H31A | 51.9° | 69.4° |
| N5 | C30 | C31 | H31B | 66.7° | 170.5° |
| C30 | C31 | C32 | H31A | 120.7° | 120.0° |
| C30 | C31 | C32 | H31B | 120.7° | 120.0° |
| C30 | C31 | C32 | O33 | 17.4° | 0.0° |
| C30 | C31 | C32 | N34 | 163.9° | 180.0° |
| C31 | C30 | C35 | H30 | 119.6° | 120.0° |
| C31 | C30 | C35 | C36 | 20.6° | 97.9° |
| C31 | C30 | C35 | C40 | 166.8° | 81.8° |
| C30 | C31 | H31A | H31B | 117.7° | 120.0° |
| C31 | C32 | O33 | N34 | 178.6° | 179.9° |
| C32 | C31 | C30 | C35 | 63.2° | 170.6° |
| C32 | C31 | C30 | H30 | 56.5° | 69.3° |
| C32 | C31 | H31A | H31B | 117.7° | 120.0° |
| C31 | C32 | N34 | H34A | 178.6° | 0.0° |
| C31 | C32 | N34 | H34B | 1.3° | 180.0° |
| O33 | C32 | C31 | H31A | 103.3° | 120.0° |
| O33 | C32 | C31 | H31B | 138.2° | 120.0° |
| O33 | C32 | N34 | H34A | 0.0° | 180.0° |
| O33 | C32 | N34 | H34B | 180.0° | 0.1° |
| N34 | C32 | C31 | H31A | 75.4° | 60.0° |
| N34 | C32 | C31 | H31B | 43.1° | 60.1° |
| C32 | N34 | H34A | H34B | 180.0° | 179.9° |
| C30 | C35 | C36 | C40 | 172.8° | 179.8° |
| C30 | C35 | C36 | C37 | 171.8° | 180.0° |
| C30 | C35 | C40 | C39 | 171.8° | 179.7° |
| C35 | C30 | C31 | H31A | 176.1° | 50.6° |
| C35 | C30 | C31 | H31B | 57.5° | 69.4° |
| C30 | C35 | C36 | H36 | 8.2° | 0.0° |
| C30 | C35 | C40 | H40 | 8.2° | 0.3° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.4° | 0.0° |
| C36 | C35 | C40 | C39 | 1.1° | 0.5° |
| C36 | C35 | C30 | H30 | 140.2° | 22.1° |
| C35 | C36 | C37 | H37 | 179.6° | 180.0° |
| C36 | C35 | C40 | H40 | 178.9° | 180.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.3° | 0.0° |
| C36 | C37 | C38 | CL41 | 176.8° | 180.0° |
| C37 | C36 | C35 | C40 | 1.0° | 0.2° |
| C37 | C38 | C39 | CL41 | 177.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.2° | 0.3° |
| C38 | C37 | C36 | H36 | 179.6° | 180.0° |
| C37 | C38 | C39 | H39 | 179.8° | 180.0° |
| C38 | C39 | C40 | H39 | 180.0° | 179.7° |
| C38 | C39 | C40 | C35 | 0.5° | 0.5° |
| C39 | C38 | C37 | H37 | 179.7° | 180.0° |
| C38 | C39 | C40 | H40 | 179.5° | 180.0° |
| C40 | C39 | C38 | CL41 | 176.8° | 179.8° |
| C39 | C40 | C35 | H40 | 180.0° | 179.5° |
| CL41 | C38 | C37 | H37 | 3.2° | 0.0° |
| CL41 | C38 | C39 | H39 | 3.2° | 0.0° |
| C11 | C6 | C7 | H7 | 179.4° | 179.8° |
| C18 | C14 | C15 | H15B | 147.9° | 80.4° |
| C18 | C14 | C15 | H15A | 90.0° | 156.3° |
| C14 | C18 | C17 | H17 | 136.0° | 119.3° |
| C14 | C18 | H18B | H18A | 121.4° | 121.4° |
| C29 | C23 | C24 | H24B | 163.6° | 72.1° |
| C29 | C23 | C24 | H24A | 76.4° | 166.5° |
| C29 | C23 | N22 | H22 | 93.4° | 94.3° |
| C23 | C29 | H29B | H29A | 121.0° | 122.1° |
| C40 | C35 | C30 | H30 | 47.2° | 158.1° |
| C40 | C35 | C36 | H36 | 179.0° | 179.8° |
| C35 | C40 | C39 | H39 | 179.5° | 179.7° |
| H1B | C1 | H1A | H1C | 120.0° | 119.9° |
| H1B | C1 | C2 | H2A | 59.1° | 60.0° |
| H1B | C1 | C2 | H2B | 59.2° | 180.0° |
| H1A | C1 | C2 | H2A | 60.8° | 179.9° |
| H1A | C1 | C2 | H2B | 179.2° | 60.0° |
| H1C | C1 | C2 | H2A | 179.1° | 60.0° |
| H1C | C1 | C2 | H2B | 60.8° | 60.0° |
| H7 | C7 | C8 | H8 | 0.5° | 0.1° |
| H14 | C14 | C15 | H15B | 90.6° | 161.0° |
| H14 | C14 | C15 | H15A | 31.4° | 37.6° |
| H14 | C14 | C18 | H18B | 112.8° | 24.3° |
| H14 | C14 | C18 | H18A | 8.2° | 145.6° |
| H15B | C15 | C16 | H16B | 40.8° | 38.3° |
| H15B | C15 | C16 | H16A | 81.3° | 160.9° |
| H15A | C15 | C16 | H16B | 162.8° | 85.1° |
| H15A | C15 | C16 | H16A | 40.8° | 37.5° |
| H16B | C16 | C17 | H17 | 35.1° | 23.0° |
| H16A | C16 | C17 | H17 | 86.9° | 145.7° |
| H24B | C24 | C23 | H23 | 80.2° | 168.2° |
| H24B | C24 | C25 | H25B | 37.9° | 41.4° |
| H24B | C24 | C25 | H25A | 83.9° | 164.9° |
| H24A | C24 | C23 | H23 | 39.8° | 46.8° |
| H24A | C24 | C25 | H25B | 157.9° | 79.9° |
| H24A | C24 | C25 | H25A | 36.1° | 43.5° |
| H30 | C30 | C31 | H31A | 64.3° | 170.7° |
| H30 | C30 | C31 | H31B | 177.2° | 50.6° |
| H17 | C17 | C18 | H18B | 16.5° | 121.4° |
| H17 | C17 | C18 | H18A | 104.4° | 0.0° |
| H17 | C17 | N19 | H19 | 151.4° | 145.1° |
| H22 | N22 | C23 | H23 | 146.5° | 145.4° |
| H23 | C23 | C29 | H29B | 95.0° | 27.1° |
| H23 | C23 | C29 | H29A | 25.7° | 149.3° |
| H36 | C36 | C37 | H37 | 0.4° | 0.0° |
| H39 | C39 | C40 | H40 | 0.5° | 0.3° |
