6Q4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | N37 | sing | 1.47Å | 1.49Å | |
| N37 | C36 | sing | 1.47Å | 1.50Å | |
| N37 | C38 | sing | 1.47Å | 1.50Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| C39 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | N17 | sing | 1.47Å | 1.52Å | |
| C15 | N17 | sing | 1.35Å | 1.36Å | |
| C15 | C12 | sing | 1.48Å | 1.50Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C21 | C22 | sing | 1.55Å | 1.52Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.54Å | 1.54Å | |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C23 | sing | 1.54Å | 1.55Å | |
| C19 | N7 | sing | 1.46Å | 1.45Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C14 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N8 | sing | 1.39Å | 1.41Å | |
| N7 | C5 | sing | 1.39Å | 1.35Å | |
| N4 | C5 | doub | 1.33Å | 1.34Å | Aromatic |
| N4 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| F33 | C30 | sing | 1.40Å | 1.35Å | |
| C5 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| N8 | C3 | sing | 1.38Å | 1.37Å | |
| C3 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C24 | O26 | doub | 1.21Å | 1.23Å | |
| C24 | N25 | sing | 1.35Å | 1.34Å | |
| C6 | C30 | sing | 1.51Å | 1.50Å | |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C1 | sing | 1.33Å | 1.34Å | Aromatic |
| C30 | F32 | sing | 1.40Å | 1.33Å | |
| C30 | F31 | sing | 1.40Å | 1.32Å | |
| N25 | C27 | sing | 1.47Å | 1.47Å | |
| C29 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| N7 | H13 | sing | 0.97Å | 1.00Å | |
| N8 | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| N25 | H22 | sing | 0.97Å | 1.00Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | N37 | C36 | 111.6° | 111.0° |
| C40 | N37 | C38 | 111.6° | 111.0° |
| N37 | C40 | H37 | 109.5° | 109.5° |
| N37 | C40 | H38 | 109.5° | 109.5° |
| N37 | C40 | H39 | 109.5° | 109.5° |
| C36 | N37 | C38 | 110.4° | 111.2° |
| N37 | C36 | C35 | 110.4° | 109.5° |
| N37 | C36 | H30 | 109.2° | 109.4° |
| N37 | C36 | H31 | 109.2° | 109.5° |
| N37 | C38 | C39 | 110.8° | 109.6° |
| N37 | C38 | H33 | 109.1° | 109.5° |
| N37 | C38 | H34 | 109.1° | 109.5° |
| C36 | C35 | C34 | 111.8° | 109.3° |
| C36 | C35 | H28 | 108.9° | 109.5° |
| C36 | C35 | H29 | 108.9° | 109.6° |
| C35 | C36 | H30 | 109.2° | 109.4° |
| C35 | C36 | H31 | 109.2° | 109.4° |
| C38 | C39 | C34 | 111.3° | 109.3° |
| C39 | C38 | H33 | 109.1° | 109.5° |
| C39 | C38 | H34 | 109.1° | 109.4° |
| C38 | C39 | H35 | 109.0° | 109.5° |
| C38 | C39 | H36 | 109.0° | 109.5° |
| C35 | C34 | C39 | 112.6° | 109.2° |
| C35 | C34 | N17 | 113.3° | 109.5° |
| C35 | C34 | H27 | 105.2° | 109.6° |
| C34 | C35 | H28 | 108.9° | 109.5° |
| C34 | C35 | H29 | 108.9° | 109.5° |
| O16 | C15 | N17 | 122.3° | 120.1° |
| O16 | C15 | C12 | 117.3° | 119.9° |
| C39 | C34 | N17 | 114.1° | 109.5° |
| C39 | C34 | H27 | 105.3° | 109.5° |
| C34 | C39 | H35 | 109.0° | 109.6° |
| C34 | C39 | H36 | 109.0° | 109.4° |
| C34 | N17 | C15 | 123.5° | 120.0° |
| C34 | N17 | C18 | 111.2° | 120.0° |
| N17 | C34 | H27 | 105.4° | 109.5° |
| N17 | C15 | C12 | 120.4° | 120.0° |
| C15 | N17 | C18 | 125.3° | 120.0° |
| C15 | C12 | C11 | 118.7° | 120.1° |
| C15 | C12 | C13 | 122.2° | 120.1° |
| C20 | C21 | C22 | 107.5° | 102.8° |
| C21 | C20 | C19 | 106.0° | 104.2° |
| C21 | C20 | H3 | 110.3° | 110.5° |
| C21 | C20 | H4 | 110.3° | 110.6° |
| C20 | C21 | H5 | 110.0° | 110.7° |
| C20 | C21 | H6 | 110.0° | 110.8° |
| C21 | C22 | C23 | 103.7° | 104.2° |
| C22 | C21 | H5 | 109.9° | 110.7° |
| C22 | C21 | H6 | 110.0° | 110.8° |
| C21 | C22 | H7 | 110.9° | 110.5° |
| C21 | C22 | H8 | 110.9° | 110.5° |
| N17 | C18 | H17 | 109.5° | 109.4° |
| N17 | C18 | H18 | 109.4° | 109.5° |
| N17 | C18 | H19 | 109.5° | 109.5° |
| C20 | C19 | C23 | 104.2° | 106.6° |
| C20 | C19 | N7 | 112.9° | 110.0° |
| C19 | C20 | H3 | 110.3° | 110.5° |
| C19 | C20 | H4 | 110.4° | 110.5° |
| C20 | C19 | H20 | 108.4° | 110.0° |
| C11 | C12 | C13 | 118.4° | 119.9° |
| C12 | C11 | C10 | 120.7° | 119.9° |
| C12 | C11 | H15 | 119.7° | 120.1° |
| C12 | C13 | C14 | 120.8° | 119.9° |
| C12 | C13 | H2 | 119.6° | 120.1° |
| C11 | C10 | C9 | 120.3° | 120.1° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C10 | C11 | H15 | 119.6° | 120.0° |
| C22 | C23 | C19 | 102.5° | 106.6° |
| C22 | C23 | C24 | 113.6° | 110.0° |
| C23 | C22 | H7 | 110.9° | 110.4° |
| C23 | C22 | H8 | 110.9° | 110.5° |
| C22 | C23 | H21 | 109.3° | 110.0° |
| C13 | C14 | C9 | 120.2° | 120.1° |
| C14 | C13 | H2 | 119.6° | 120.0° |
| C13 | C14 | H16 | 119.9° | 119.9° |
| C10 | C9 | C14 | 119.1° | 120.1° |
| C10 | C9 | N8 | 122.5° | 120.0° |
| C9 | C10 | H1 | 119.8° | 120.0° |
| C23 | C19 | N7 | 113.2° | 110.0° |
| C19 | C23 | C24 | 112.6° | 110.1° |
| C23 | C19 | H20 | 108.2° | 110.1° |
| C19 | C23 | H21 | 109.0° | 110.0° |
| C19 | N7 | C5 | 124.2° | 120.0° |
| C19 | N7 | H13 | 105.7° | 120.0° |
| N7 | C19 | H20 | 109.5° | 110.1° |
| C23 | C24 | O26 | 121.0° | 120.0° |
| C23 | C24 | N25 | 115.1° | 120.0° |
| C24 | C23 | H21 | 109.5° | 110.1° |
| C14 | C9 | N8 | 117.6° | 119.9° |
| C9 | C14 | H16 | 119.9° | 120.0° |
| C9 | N8 | C3 | 134.9° | 120.0° |
| C9 | N8 | H14 | 112.5° | 120.0° |
| N7 | C5 | N4 | 116.7° | 120.5° |
| N7 | C5 | C6 | 121.7° | 120.5° |
| C5 | N7 | H13 | 105.7° | 120.0° |
| C5 | N4 | C3 | 116.9° | 120.6° |
| N4 | C5 | C6 | 121.5° | 119.1° |
| N4 | C3 | N8 | 118.1° | 119.2° |
| N4 | C3 | N2 | 126.4° | 121.6° |
| F33 | C30 | C6 | 112.3° | 109.5° |
| F33 | C30 | F32 | 105.6° | 109.5° |
| F33 | C30 | F31 | 105.6° | 109.5° |
| C5 | C6 | C30 | 124.1° | 120.8° |
| C5 | C6 | C1 | 115.3° | 118.5° |
| N8 | C3 | N2 | 115.5° | 119.2° |
| C3 | N8 | H14 | 112.5° | 120.0° |
| C3 | N2 | C1 | 115.8° | 121.0° |
| O26 | C24 | N25 | 123.9° | 120.0° |
| C24 | N25 | C27 | 125.5° | 120.0° |
| C24 | N25 | H22 | 117.3° | 120.0° |
| C30 | C6 | C1 | 120.5° | 120.8° |
| C6 | C30 | F32 | 113.0° | 109.5° |
| C6 | C30 | F31 | 112.4° | 109.5° |
| C6 | C1 | N2 | 123.9° | 119.3° |
| C6 | C1 | H12 | 118.1° | 120.4° |
| N2 | C1 | H12 | 118.0° | 120.4° |
| F32 | C30 | F31 | 107.5° | 109.4° |
| N25 | C27 | C29 | 112.2° | 109.5° |
| N25 | C27 | C28 | 111.1° | 109.4° |
| C27 | N25 | H22 | 117.2° | 120.0° |
| N25 | C27 | H23 | 107.2° | 109.5° |
| C29 | C27 | C28 | 112.4° | 109.5° |
| C29 | C27 | H23 | 106.7° | 109.5° |
| C27 | C29 | H24 | 109.5° | 109.5° |
| C27 | C29 | H25 | 109.5° | 109.4° |
| C27 | C29 | H26 | 109.4° | 109.5° |
| C27 | C28 | H9 | 109.5° | 109.5° |
| C27 | C28 | H10 | 109.5° | 109.4° |
| C27 | C28 | H11 | 109.5° | 109.5° |
| C28 | C27 | H23 | 106.8° | 109.5° |
| H3 | C20 | H4 | 109.5° | 110.5° |
| H5 | C21 | H6 | 109.4° | 110.8° |
| H7 | C22 | H8 | 109.5° | 110.5° |
| H9 | C28 | H10 | 109.5° | 109.4° |
| H9 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.4° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H17 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H26 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.4° |
| H28 | C35 | H29 | 109.5° | 109.5° |
| H30 | C36 | H31 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H35 | C39 | H36 | 109.4° | 109.5° |
| H37 | C40 | H38 | 109.4° | 109.4° |
| H37 | C40 | H39 | 109.5° | 109.5° |
| H38 | C40 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | N37 | C36 | C38 | 124.8° | 124.1° |
| C40 | N37 | C36 | C35 | 174.7° | 174.2° |
| C40 | N37 | C38 | C39 | 174.2° | 174.2° |
| C40 | N37 | C36 | H30 | 65.2° | 54.2° |
| C40 | N37 | C36 | H31 | 54.5° | 65.9° |
| C40 | N37 | C38 | H33 | 54.0° | 54.2° |
| C40 | N37 | C38 | H34 | 65.6° | 65.8° |
| N37 | C40 | H37 | H38 | 120.0° | 120.0° |
| N37 | C40 | H37 | H39 | 120.0° | 120.0° |
| N37 | C40 | H38 | H39 | 120.0° | 120.0° |
| N37 | C36 | C35 | H30 | 120.2° | 120.0° |
| N37 | C36 | C35 | H31 | 120.2° | 120.0° |
| C36 | N37 | C38 | C39 | 61.0° | 61.7° |
| N37 | C36 | C35 | C34 | 54.8° | 59.2° |
| N37 | C36 | C35 | H28 | 175.1° | 60.7° |
| N37 | C36 | C35 | H29 | 65.6° | 179.1° |
| N37 | C36 | H30 | H31 | 119.6° | 120.0° |
| C36 | N37 | C38 | H33 | 178.8° | 178.2° |
| C36 | N37 | C38 | H34 | 59.2° | 58.2° |
| C36 | N37 | C40 | H37 | 180.0° | 60.0° |
| C36 | N37 | C40 | H38 | 60.0° | 180.0° |
| C36 | N37 | C40 | H39 | 60.0° | 60.0° |
| C38 | N37 | C36 | C35 | 60.6° | 61.8° |
| N37 | C38 | C39 | H33 | 120.2° | 120.0° |
| N37 | C38 | C39 | H34 | 120.2° | 120.0° |
| N37 | C38 | C39 | C34 | 55.0° | 59.1° |
| C38 | N37 | C36 | H30 | 59.6° | 178.3° |
| C38 | N37 | C36 | H31 | 179.3° | 58.2° |
| N37 | C38 | H33 | H34 | 119.4° | 120.0° |
| N37 | C38 | C39 | H35 | 65.2° | 179.2° |
| N37 | C38 | C39 | H36 | 175.3° | 60.8° |
| C38 | N37 | C40 | H37 | 55.9° | 64.2° |
| C38 | N37 | C40 | H38 | 175.9° | 55.8° |
| C38 | N37 | C40 | H39 | 64.1° | 175.8° |
| C36 | C35 | C34 | H28 | 120.4° | 119.9° |
| C36 | C35 | C34 | H29 | 120.3° | 120.0° |
| C36 | C35 | C34 | C39 | 49.7° | 57.6° |
| C36 | C35 | C34 | N17 | 179.1° | 177.6° |
| C36 | C35 | C34 | H27 | 64.5° | 62.3° |
| C36 | C35 | H28 | H29 | 118.9° | 120.2° |
| C35 | C36 | H30 | H31 | 119.5° | 120.0° |
| C38 | C39 | C34 | C35 | 49.6° | 57.6° |
| C38 | C39 | C34 | H35 | 120.3° | 120.0° |
| C38 | C39 | C34 | H36 | 120.3° | 119.9° |
| C38 | C39 | C34 | N17 | 179.6° | 177.5° |
| C38 | C39 | C34 | H27 | 64.6° | 62.4° |
| C39 | C38 | H33 | H34 | 119.4° | 119.9° |
| C38 | C39 | H35 | H36 | 119.2° | 120.0° |
| C35 | C34 | C39 | N17 | 130.9° | 119.9° |
| C35 | C34 | C39 | H27 | 114.1° | 120.0° |
| C35 | C34 | N17 | H27 | 114.5° | 120.1° |
| C35 | C34 | N17 | C15 | 64.0° | 120.2° |
| C35 | C34 | N17 | C18 | 115.0° | 59.9° |
| C34 | C35 | H28 | H29 | 118.9° | 120.0° |
| C34 | C35 | C36 | H30 | 65.4° | 179.2° |
| C34 | C35 | C36 | H31 | 174.9° | 60.8° |
| C35 | C34 | C39 | H35 | 70.7° | 177.5° |
| C35 | C34 | C39 | H36 | 169.9° | 62.3° |
| O16 | C15 | N17 | C34 | 0.9° | 5.1° |
| O16 | C15 | N17 | C12 | 179.8° | 179.9° |
| O16 | C15 | N17 | C18 | 179.8° | 174.8° |
| O16 | C15 | C12 | C11 | 50.7° | 148.3° |
| O16 | C15 | C12 | C13 | 119.8° | 31.9° |
| C39 | C34 | N17 | H27 | 115.0° | 120.1° |
| C39 | C34 | N17 | C15 | 66.5° | 120.1° |
| C39 | C34 | N17 | C18 | 114.5° | 59.8° |
| C39 | C34 | C35 | H28 | 170.0° | 62.3° |
| C39 | C34 | C35 | H29 | 70.7° | 177.6° |
| C34 | C39 | C38 | H33 | 175.2° | 179.1° |
| C34 | C39 | C38 | H34 | 65.2° | 60.9° |
| C34 | C39 | H35 | H36 | 119.1° | 120.1° |
| C34 | N17 | C15 | C18 | 178.9° | 179.9° |
| C34 | N17 | C15 | C12 | 178.9° | 174.8° |
| C34 | N17 | C18 | H17 | 180.0° | 87.5° |
| C34 | N17 | C18 | H18 | 60.0° | 32.5° |
| C34 | N17 | C18 | H19 | 60.0° | 152.5° |
| N17 | C34 | C35 | H28 | 58.7° | 57.6° |
| N17 | C34 | C35 | H29 | 60.6° | 62.5° |
| N17 | C34 | C39 | H35 | 60.1° | 62.5° |
| N17 | C34 | C39 | H36 | 59.3° | 57.6° |
| N17 | C15 | C12 | C11 | 129.5° | 31.6° |
| N17 | C15 | C12 | C13 | 60.0° | 148.3° |
| C15 | N17 | C18 | H17 | 1.0° | 92.6° |
| C15 | N17 | C18 | H18 | 121.0° | 147.4° |
| C15 | N17 | C18 | H19 | 119.0° | 27.4° |
| C15 | N17 | C34 | H27 | 178.6° | 0.0° |
| C12 | C15 | N17 | C18 | 0.0° | 5.3° |
| C15 | C12 | C11 | C13 | 170.9° | 179.9° |
| C15 | C12 | C11 | C10 | 176.9° | 180.0° |
| C15 | C12 | C13 | C14 | 176.5° | 179.8° |
| C15 | C12 | C13 | H2 | 3.5° | 0.3° |
| C15 | C12 | C11 | H15 | 3.1° | 0.1° |
| C20 | C21 | C22 | H5 | 119.7° | 118.3° |
| C20 | C21 | C22 | H6 | 119.7° | 118.3° |
| C21 | C20 | C19 | H3 | 119.4° | 118.6° |
| C21 | C20 | C19 | H4 | 119.4° | 118.8° |
| C20 | C21 | C22 | C23 | 26.1° | 38.0° |
| C21 | C20 | C19 | C23 | 21.6° | 23.6° |
| C21 | C20 | C19 | N7 | 101.7° | 142.9° |
| C21 | C20 | H3 | H4 | 121.6° | 122.7° |
| C20 | C21 | H5 | H6 | 120.9° | 123.3° |
| C20 | C21 | C22 | H7 | 92.9° | 80.7° |
| C20 | C21 | C22 | H8 | 145.2° | 156.6° |
| C21 | C20 | C19 | H20 | 136.7° | 95.7° |
| C22 | C21 | C20 | C19 | 2.7° | 38.0° |
| C21 | C22 | C23 | H7 | 119.1° | 118.7° |
| C21 | C22 | C23 | H8 | 119.1° | 118.7° |
| C21 | C22 | C23 | C19 | 39.0° | 23.6° |
| C21 | C22 | C23 | C24 | 160.8° | 142.9° |
| C22 | C21 | C20 | H3 | 122.1° | 156.6° |
| C22 | C21 | C20 | H4 | 116.8° | 80.7° |
| C22 | C21 | H5 | H6 | 120.9° | 123.3° |
| C21 | C22 | H7 | H8 | 122.7° | 122.7° |
| C21 | C22 | C23 | H21 | 76.6° | 95.6° |
| N17 | C18 | H17 | H18 | 120.0° | 120.0° |
| N17 | C18 | H17 | H19 | 120.0° | 120.0° |
| N17 | C18 | H18 | H19 | 120.0° | 120.1° |
| C18 | N17 | C34 | H27 | 0.4° | 179.9° |
| C20 | C19 | C23 | C22 | 37.5° | 0.0° |
| C20 | C19 | C23 | N7 | 123.1° | 119.2° |
| C20 | C19 | C23 | H20 | 115.3° | 119.3° |
| C20 | C19 | N7 | H20 | 121.0° | 121.4° |
| C20 | C19 | C23 | C24 | 160.0° | 119.3° |
| C20 | C19 | N7 | C5 | 82.7° | 83.6° |
| C19 | C20 | H3 | H4 | 121.6° | 122.6° |
| C19 | C20 | C21 | H5 | 122.4° | 156.2° |
| C19 | C20 | C21 | H6 | 117.0° | 80.4° |
| C20 | C19 | N7 | H13 | 39.3° | 96.4° |
| C20 | C19 | C23 | H21 | 78.3° | 119.3° |
| C12 | C11 | C10 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 5.9° | 0.3° |
| C12 | C11 | C10 | C9 | 0.3° | 0.0° |
| C12 | C11 | C10 | H1 | 179.7° | 179.7° |
| C11 | C12 | C13 | H2 | 174.1° | 179.8° |
| C13 | C12 | C11 | C10 | 6.0° | 0.1° |
| C12 | C13 | C14 | H2 | 180.0° | 179.5° |
| C12 | C13 | C14 | C9 | 0.1° | 0.5° |
| C13 | C12 | C11 | H15 | 174.0° | 180.0° |
| C12 | C13 | C14 | H16 | 179.9° | 180.0° |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C11 | C10 | C9 | C14 | 5.6° | 0.2° |
| C11 | C10 | C9 | N8 | 175.0° | 179.7° |
| C22 | C23 | C19 | C24 | 122.5° | 119.3° |
| C22 | C23 | C19 | H21 | 115.8° | 119.2° |
| C22 | C23 | C19 | N7 | 85.6° | 119.3° |
| C22 | C23 | C24 | H21 | 122.5° | 121.4° |
| C22 | C23 | C24 | O26 | 47.8° | 142.6° |
| C22 | C23 | C24 | N25 | 132.3° | 37.4° |
| C23 | C22 | C21 | H5 | 145.8° | 156.2° |
| C23 | C22 | C21 | H6 | 93.6° | 80.4° |
| C23 | C22 | H7 | H8 | 122.6° | 122.6° |
| C22 | C23 | C19 | H20 | 152.8° | 119.2° |
| C13 | C14 | C9 | C10 | 5.7° | 0.5° |
| C13 | C14 | C9 | H16 | 180.0° | 179.5° |
| C13 | C14 | C9 | N8 | 175.6° | 179.4° |
| C10 | C9 | C14 | N8 | 169.9° | 179.9° |
| C10 | C9 | N8 | C3 | 2.9° | 34.2° |
| C10 | C9 | N8 | H14 | 177.1° | 145.7° |
| C9 | C10 | C11 | H15 | 179.7° | 180.0° |
| C10 | C9 | C14 | H16 | 174.3° | 180.0° |
| C23 | C19 | N7 | H20 | 120.9° | 121.5° |
| C19 | C23 | C24 | H21 | 121.5° | 121.4° |
| C23 | C19 | N7 | C5 | 159.1° | 159.2° |
| C19 | C23 | C24 | O26 | 68.2° | 100.2° |
| C19 | C23 | C24 | N25 | 111.7° | 79.8° |
| C23 | C19 | C20 | H3 | 97.9° | 142.3° |
| C23 | C19 | C20 | H4 | 141.0° | 95.2° |
| C19 | C23 | C22 | H7 | 80.1° | 95.1° |
| C19 | C23 | C22 | H8 | 158.1° | 142.3° |
| C23 | C19 | N7 | H13 | 78.9° | 20.7° |
| N7 | C19 | C23 | C24 | 36.9° | 0.0° |
| C19 | N7 | C5 | H13 | 122.0° | 180.0° |
| C19 | N7 | C5 | N4 | 3.3° | 0.3° |
| C19 | N7 | C5 | C6 | 176.2° | 179.9° |
| N7 | C19 | C20 | H3 | 138.9° | 98.5° |
| N7 | C19 | C20 | H4 | 17.8° | 24.1° |
| N7 | C19 | C23 | H21 | 158.6° | 121.5° |
| C23 | C24 | O26 | N25 | 179.8° | 180.0° |
| C23 | C24 | N25 | C27 | 171.9° | 175.4° |
| C24 | C23 | C22 | H7 | 41.7° | 24.2° |
| C24 | C23 | C22 | H8 | 80.1° | 98.4° |
| C24 | C23 | C19 | H20 | 84.7° | 121.4° |
| C23 | C24 | N25 | H22 | 8.1° | 4.6° |
| C14 | C9 | N8 | C3 | 166.6° | 145.7° |
| C14 | C9 | C10 | H1 | 174.4° | 179.9° |
| C9 | C14 | C13 | H2 | 179.9° | 180.0° |
| C14 | C9 | N8 | H14 | 13.4° | 34.4° |
| C9 | N8 | C3 | N4 | 9.8° | 174.9° |
| C9 | N8 | C3 | H14 | 180.0° | 179.9° |
| C9 | N8 | C3 | N2 | 170.9° | 5.2° |
| N8 | C9 | C10 | H1 | 5.0° | 0.0° |
| N8 | C9 | C14 | H16 | 4.4° | 0.1° |
| N7 | C5 | N4 | C6 | 179.5° | 179.6° |
| N7 | C5 | N4 | C3 | 177.7° | 179.7° |
| N7 | C5 | C6 | C30 | 0.4° | 0.4° |
| N7 | C5 | C6 | C1 | 176.0° | 179.7° |
| C5 | N7 | C19 | H20 | 38.3° | 37.8° |
| C5 | N4 | C3 | N8 | 179.4° | 179.9° |
| C5 | N4 | C3 | N2 | 0.2° | 0.0° |
| N4 | C5 | C6 | C30 | 179.9° | 180.0° |
| N4 | C5 | C6 | C1 | 3.4° | 0.1° |
| N4 | C5 | N7 | H13 | 118.7° | 179.6° |
| C3 | N4 | C5 | C6 | 1.8° | 0.1° |
| N4 | C3 | N8 | N2 | 179.3° | 179.9° |
| N4 | C3 | N2 | C1 | 0.3° | 0.1° |
| N4 | C3 | N8 | H14 | 170.2° | 5.0° |
| F33 | C30 | C6 | C5 | 53.7° | 59.9° |
| F33 | C30 | C6 | F32 | 119.3° | 120.0° |
| F33 | C30 | C6 | F31 | 118.9° | 120.0° |
| F33 | C30 | C6 | C1 | 130.0° | 120.0° |
| F33 | C30 | F32 | F31 | 112.3° | 120.0° |
| C5 | C6 | C30 | C1 | 176.3° | 179.9° |
| C5 | C6 | C1 | N2 | 3.4° | 0.0° |
| C5 | C6 | C30 | F32 | 173.0° | 180.0° |
| C5 | C6 | C30 | F31 | 65.2° | 60.1° |
| C5 | C6 | C1 | H12 | 176.7° | 179.9° |
| C6 | C5 | N7 | H13 | 61.8° | 0.0° |
| N8 | C3 | N2 | C1 | 179.5° | 180.0° |
| C3 | N2 | C1 | C6 | 1.6° | 0.1° |
| C3 | N2 | C1 | H12 | 178.4° | 180.0° |
| N2 | C3 | N8 | H14 | 9.1° | 174.9° |
| O26 | C24 | N25 | C27 | 8.2° | 4.7° |
| O26 | C24 | C23 | H21 | 170.4° | 21.2° |
| O26 | C24 | N25 | H22 | 171.8° | 175.4° |
| C24 | N25 | C27 | H22 | 180.0° | 180.0° |
| C24 | N25 | C27 | C29 | 51.5° | 155.0° |
| C24 | N25 | C27 | C28 | 75.3° | 85.0° |
| N25 | C24 | C23 | H21 | 9.8° | 158.8° |
| C24 | N25 | C27 | H23 | 168.3° | 35.0° |
| C30 | C6 | C1 | N2 | 180.0° | 179.9° |
| C6 | C30 | F32 | F31 | 124.5° | 120.0° |
| C30 | C6 | C1 | H12 | 0.0° | 0.0° |
| C6 | C1 | N2 | H12 | 180.0° | 179.9° |
| C1 | C6 | C30 | F32 | 10.7° | 0.1° |
| C1 | C6 | C30 | F31 | 111.2° | 120.0° |
| N25 | C27 | C29 | C28 | 126.1° | 120.0° |
| N25 | C27 | C29 | H23 | 117.2° | 120.0° |
| N25 | C27 | C28 | H23 | 116.6° | 120.0° |
| N25 | C27 | C28 | H9 | 180.0° | 60.0° |
| N25 | C27 | C28 | H10 | 60.0° | 180.0° |
| N25 | C27 | C28 | H11 | 60.0° | 60.0° |
| N25 | C27 | C29 | H24 | 180.0° | 60.0° |
| N25 | C27 | C29 | H25 | 60.0° | 180.0° |
| N25 | C27 | C29 | H26 | 60.0° | 60.0° |
| C29 | C27 | C28 | H23 | 116.7° | 120.0° |
| C29 | C27 | C28 | H9 | 53.3° | 180.0° |
| C29 | C27 | C28 | H10 | 173.3° | 60.1° |
| C29 | C27 | C28 | H11 | 66.8° | 60.0° |
| C29 | C27 | N25 | H22 | 128.5° | 25.0° |
| C27 | C29 | H24 | H25 | 120.0° | 120.0° |
| C27 | C29 | H24 | H26 | 120.0° | 120.1° |
| C27 | C29 | H25 | H26 | 120.0° | 120.0° |
| C27 | C28 | H9 | H10 | 120.0° | 119.9° |
| C27 | C28 | H9 | H11 | 120.0° | 120.0° |
| C27 | C28 | H10 | H11 | 120.0° | 120.0° |
| C28 | C27 | N25 | H22 | 104.7° | 95.0° |
| C28 | C27 | C29 | H24 | 53.9° | 59.9° |
| C28 | C27 | C29 | H25 | 66.1° | 60.0° |
| C28 | C27 | C29 | H26 | 173.9° | 180.0° |
| H1 | C10 | C11 | H15 | 0.3° | 0.3° |
| H2 | C13 | C14 | H16 | 0.1° | 0.5° |
| H3 | C20 | C21 | H5 | 118.2° | 85.1° |
| H3 | C20 | C21 | H6 | 2.4° | 38.2° |
| H3 | C20 | C19 | H20 | 17.3° | 23.0° |
| H4 | C20 | C21 | H5 | 2.9° | 37.5° |
| H4 | C20 | C21 | H6 | 123.5° | 160.9° |
| H4 | C20 | C19 | H20 | 103.8° | 145.5° |
| H5 | C21 | C22 | H7 | 26.8° | 37.6° |
| H5 | C21 | C22 | H8 | 95.1° | 85.1° |
| H6 | C21 | C22 | H7 | 147.3° | 161.0° |
| H6 | C21 | C22 | H8 | 25.5° | 38.3° |
| H7 | C22 | C23 | H21 | 164.3° | 145.7° |
| H8 | C22 | C23 | H21 | 42.5° | 23.1° |
| H9 | C28 | H10 | H11 | 120.0° | 120.1° |
| H9 | C28 | C27 | H23 | 63.4° | 59.9° |
| H10 | C28 | C27 | H23 | 56.6° | 60.0° |
| H11 | C28 | C27 | H23 | 176.6° | 180.0° |
| H13 | N7 | C19 | H20 | 160.2° | 142.2° |
| H17 | C18 | H18 | H19 | 120.0° | 120.0° |
| H20 | C19 | C23 | H21 | 37.0° | 0.0° |
| H22 | N25 | C27 | H23 | 11.7° | 145.0° |
| H23 | C27 | C29 | H24 | 62.9° | 180.0° |
| H23 | C27 | C29 | H25 | 177.1° | 60.0° |
| H23 | C27 | C29 | H26 | 57.2° | 59.9° |
| H24 | C29 | H25 | H26 | 120.0° | 120.0° |
| H27 | C34 | C35 | H28 | 55.9° | 177.7° |
| H27 | C34 | C35 | H29 | 175.2° | 57.7° |
| H27 | C34 | C39 | H35 | 175.1° | 57.6° |
| H27 | C34 | C39 | H36 | 55.7° | 177.7° |
| H28 | C35 | C36 | H30 | 54.9° | 59.2° |
| H28 | C35 | C36 | H31 | 64.8° | 179.3° |
| H29 | C35 | C36 | H30 | 174.3° | 60.9° |
| H29 | C35 | C36 | H31 | 54.6° | 59.1° |
| H33 | C38 | C39 | H35 | 54.9° | 60.8° |
| H33 | C38 | C39 | H36 | 64.5° | 59.2° |
| H34 | C38 | C39 | H35 | 174.5° | 59.2° |
| H34 | C38 | C39 | H36 | 55.1° | 179.2° |
| H37 | C40 | H38 | H39 | 120.0° | 120.0° |
