9G7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| O17 | C16 | sing | 1.43Å | 1.43Å | |
| C12 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C26 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C15 | C09 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | N31 | sing | 1.47Å | 1.51Å | |
| C16 | C26 | sing | 1.53Å | 1.60Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C10 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | F11 | sing | 1.35Å | 1.35Å | |
| C26 | C32 | sing | 1.53Å | 1.59Å | |
| C32 | N31 | sing | 1.47Å | 1.47Å | |
| C09 | C07 | sing | 1.48Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| N31 | C33 | sing | 1.35Å | 1.37Å | |
| O23 | C22 | doub | 1.22Å | 1.21Å | |
| C25 | O24 | sing | 1.45Å | 1.45Å | |
| C22 | O24 | sing | 1.35Å | 1.34Å | |
| C22 | N21 | sing | 1.35Å | 1.34Å | |
| C20 | N21 | sing | 1.47Å | 1.46Å | |
| C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | O34 | doub | 1.21Å | 1.22Å | |
| C33 | C35 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C08 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C41 | sing | 1.53Å | 1.55Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C41 | C40 | sing | 1.53Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C38 | N39 | sing | 1.47Å | 1.47Å | |
| C40 | N39 | sing | 1.47Å | 1.41Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| O17 | H18 | sing | 0.97Å | 0.95Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| N21 | H23 | sing | 0.97Å | 1.00Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| N39 | H40 | sing | 1.01Å | 1.00Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| C41 | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 120.5° | 120.3° |
| C13 | C14 | C15 | 121.4° | 120.1° |
| C14 | C13 | H1 | 119.7° | 119.9° |
| C13 | C14 | H17 | 119.3° | 120.0° |
| C13 | C12 | C10 | 118.3° | 120.1° |
| C12 | C13 | H1 | 119.8° | 119.8° |
| C13 | C12 | H16 | 120.9° | 119.9° |
| C14 | C15 | C16 | 119.2° | 120.0° |
| C14 | C15 | C09 | 118.6° | 119.9° |
| C15 | C14 | H17 | 119.3° | 119.9° |
| O17 | C16 | C15 | 107.6° | 109.5° |
| O17 | C16 | C26 | 96.8° | 109.4° |
| O17 | C16 | C18 | 107.3° | 109.5° |
| C16 | O17 | H18 | 109.5° | 114.0° |
| C12 | C10 | C09 | 124.2° | 119.9° |
| C12 | C10 | F11 | 118.0° | 120.1° |
| C10 | C12 | H16 | 120.8° | 120.0° |
| C29 | C28 | C26 | 111.1° | 109.6° |
| C28 | C29 | C30 | 111.4° | 109.3° |
| C29 | C28 | H5 | 109.1° | 109.5° |
| C29 | C28 | H6 | 109.1° | 109.5° |
| C28 | C29 | H27 | 109.0° | 109.5° |
| C28 | C29 | H28 | 109.0° | 109.5° |
| C28 | C26 | C16 | 117.0° | 109.5° |
| C28 | C26 | C32 | 104.7° | 109.3° |
| C28 | C26 | H4 | 107.4° | 109.5° |
| C26 | C28 | H5 | 109.1° | 109.5° |
| C26 | C28 | H6 | 109.1° | 109.4° |
| C16 | C15 | C09 | 122.2° | 120.1° |
| C15 | C16 | C26 | 112.4° | 109.5° |
| C15 | C16 | C18 | 114.1° | 109.5° |
| C15 | C09 | C10 | 117.1° | 119.7° |
| C15 | C09 | C07 | 126.1° | 120.1° |
| C29 | C30 | N31 | 111.7° | 108.8° |
| C30 | C29 | H27 | 109.0° | 109.5° |
| C30 | C29 | H28 | 109.0° | 109.5° |
| C29 | C30 | H29 | 108.9° | 109.6° |
| C29 | C30 | H30 | 108.9° | 109.6° |
| C30 | N31 | C32 | 108.4° | 118.7° |
| C30 | N31 | C33 | 122.8° | 120.6° |
| N31 | C30 | H29 | 108.9° | 109.6° |
| N31 | C30 | H30 | 109.0° | 109.6° |
| C26 | C16 | C18 | 116.7° | 109.5° |
| C16 | C26 | C32 | 113.8° | 109.6° |
| C16 | C26 | H4 | 106.6° | 109.5° |
| C16 | C18 | C19 | 116.1° | 109.5° |
| C16 | C18 | H19 | 107.8° | 109.4° |
| C16 | C18 | H20 | 107.8° | 109.5° |
| C09 | C10 | F11 | 117.8° | 120.1° |
| C10 | C09 | C07 | 116.8° | 120.2° |
| C26 | C32 | N31 | 110.8° | 108.8° |
| C32 | C26 | H4 | 106.7° | 109.5° |
| C26 | C32 | H31 | 109.1° | 109.6° |
| C26 | C32 | H32 | 109.1° | 109.6° |
| C32 | N31 | C33 | 128.7° | 120.7° |
| N31 | C32 | H31 | 109.1° | 109.5° |
| N31 | C32 | H32 | 109.1° | 109.5° |
| C09 | C07 | C06 | 120.9° | 120.2° |
| C09 | C07 | C08 | 120.9° | 120.1° |
| C18 | C19 | C20 | 112.4° | 109.5° |
| C19 | C18 | H19 | 107.8° | 109.5° |
| C19 | C18 | H20 | 107.8° | 109.5° |
| C18 | C19 | H21 | 108.7° | 109.5° |
| C18 | C19 | H22 | 108.7° | 109.5° |
| C19 | C20 | N21 | 112.7° | 109.5° |
| C19 | C20 | H2 | 108.7° | 109.5° |
| C19 | C20 | H3 | 108.6° | 109.4° |
| C20 | C19 | H21 | 108.8° | 109.4° |
| C20 | C19 | H22 | 108.7° | 109.5° |
| N31 | C33 | O34 | 121.4° | 119.9° |
| N31 | C33 | C35 | 119.7° | 120.0° |
| O23 | C22 | O24 | 124.3° | 120.0° |
| O23 | C22 | N21 | 124.7° | 120.0° |
| C25 | O24 | C22 | 115.8° | 117.0° |
| O24 | C25 | H24 | 109.5° | 109.5° |
| O24 | C25 | H25 | 109.5° | 109.5° |
| O24 | C25 | H26 | 109.5° | 109.5° |
| O24 | C22 | N21 | 111.0° | 120.0° |
| C22 | N21 | C20 | 121.7° | 120.0° |
| C22 | N21 | H23 | 119.1° | 120.0° |
| N21 | C20 | H2 | 108.7° | 109.5° |
| N21 | C20 | H3 | 108.7° | 109.5° |
| C20 | N21 | H23 | 119.2° | 120.0° |
| C06 | C07 | C08 | 118.1° | 119.7° |
| C07 | C06 | C05 | 120.5° | 119.9° |
| C07 | C06 | H14 | 119.7° | 120.0° |
| C07 | C08 | C03 | 121.7° | 119.9° |
| C07 | C08 | H15 | 119.2° | 120.0° |
| O34 | C33 | C35 | 118.9° | 120.0° |
| C33 | C35 | C36 | 115.4° | 109.5° |
| C33 | C35 | H33 | 108.0° | 109.5° |
| C33 | C35 | H34 | 108.0° | 109.5° |
| C06 | C05 | C04 | 120.3° | 120.1° |
| C06 | C05 | H13 | 119.8° | 120.0° |
| C05 | C06 | H14 | 119.7° | 120.0° |
| C35 | C36 | C37 | 111.2° | 109.5° |
| C35 | C36 | C41 | 110.9° | 109.5° |
| C36 | C35 | H33 | 107.9° | 109.5° |
| C36 | C35 | H34 | 108.0° | 109.5° |
| C35 | C36 | H35 | 108.5° | 109.6° |
| C08 | C03 | C04 | 118.6° | 120.1° |
| C08 | C03 | C02 | 120.7° | 119.9° |
| C03 | C08 | H15 | 119.1° | 120.1° |
| C05 | C04 | C03 | 120.7° | 120.3° |
| C05 | C04 | H12 | 119.6° | 119.9° |
| C04 | C05 | H13 | 119.8° | 119.9° |
| C04 | C03 | C02 | 120.7° | 119.9° |
| C03 | C04 | H12 | 119.7° | 119.8° |
| C03 | C02 | C01 | 114.8° | 109.5° |
| C03 | C02 | H10 | 108.2° | 109.5° |
| C03 | C02 | H11 | 108.1° | 109.5° |
| C37 | C36 | C41 | 109.4° | 109.1° |
| C36 | C37 | C38 | 113.1° | 109.3° |
| C37 | C36 | H35 | 108.5° | 109.5° |
| C36 | C37 | H36 | 108.5° | 109.5° |
| C36 | C37 | H37 | 108.6° | 109.5° |
| C36 | C41 | C40 | 113.6° | 109.3° |
| C41 | C36 | H35 | 108.2° | 109.6° |
| C36 | C41 | H44 | 108.4° | 109.5° |
| C36 | C41 | H45 | 108.4° | 109.5° |
| C37 | C38 | N39 | 110.9° | 109.5° |
| C38 | C37 | H36 | 108.5° | 109.5° |
| C38 | C37 | H37 | 108.5° | 109.5° |
| C37 | C38 | H38 | 109.1° | 109.5° |
| C37 | C38 | H39 | 109.1° | 109.5° |
| C41 | C40 | N39 | 110.2° | 109.5° |
| C41 | C40 | H42 | 109.3° | 109.4° |
| C41 | C40 | H43 | 109.3° | 109.4° |
| C40 | C41 | H44 | 108.4° | 109.5° |
| C40 | C41 | H45 | 108.4° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C01 | C02 | H10 | 108.1° | 109.5° |
| C01 | C02 | H11 | 108.2° | 109.5° |
| C38 | N39 | C40 | 110.3° | 111.2° |
| N39 | C38 | H38 | 109.1° | 109.5° |
| N39 | C38 | H39 | 109.1° | 109.4° |
| C38 | N39 | H40 | 109.2° | 110.9° |
| C40 | N39 | H40 | 109.3° | 111.0° |
| N39 | C40 | H42 | 109.3° | 109.5° |
| N39 | C40 | H43 | 109.3° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.4° | 109.5° |
| H8 | C01 | H9 | 109.4° | 109.4° |
| H10 | C02 | H11 | 109.4° | 109.4° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.4° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.7° |
| H31 | C32 | H32 | 109.5° | 109.7° |
| H33 | C35 | H34 | 109.5° | 109.5° |
| H36 | C37 | H37 | 109.5° | 109.5° |
| H38 | C38 | H39 | 109.5° | 109.5° |
| H42 | C40 | H43 | 109.5° | 109.5° |
| H44 | C41 | H45 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | H17 | 180.0° | 179.7° |
| C14 | C13 | C12 | C10 | 0.1° | 0.0° |
| C13 | C14 | C15 | C16 | 179.3° | 180.0° |
| C13 | C14 | C15 | C09 | 0.6° | 0.5° |
| C14 | C13 | C12 | H16 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.2° |
| C13 | C12 | C10 | H16 | 180.0° | 180.0° |
| C13 | C12 | C10 | C09 | 0.0° | 0.0° |
| C13 | C12 | C10 | F11 | 179.7° | 179.7° |
| C12 | C13 | C14 | H17 | 179.8° | 180.0° |
| C14 | C15 | C16 | O17 | 7.0° | 167.4° |
| C14 | C15 | C16 | C09 | 178.7° | 179.5° |
| C14 | C15 | C16 | C26 | 112.3° | 72.7° |
| C14 | C15 | C16 | C18 | 111.9° | 47.4° |
| C14 | C15 | C09 | C10 | 0.6° | 0.5° |
| C14 | C15 | C09 | C07 | 179.9° | 179.5° |
| C15 | C14 | C13 | H1 | 179.8° | 180.0° |
| O17 | C16 | C26 | C28 | 65.8° | 177.2° |
| O17 | C16 | C15 | C26 | 105.4° | 120.0° |
| O17 | C16 | C15 | C18 | 118.9° | 120.0° |
| O17 | C16 | C15 | C09 | 174.4° | 12.1° |
| O17 | C16 | C26 | C18 | 113.2° | 120.0° |
| O17 | C16 | C26 | C32 | 56.7° | 63.0° |
| O17 | C16 | C18 | C19 | 76.2° | 59.2° |
| O17 | C16 | C26 | H4 | 174.0° | 57.1° |
| O17 | C16 | C18 | H19 | 44.8° | 60.8° |
| O17 | C16 | C18 | H20 | 162.9° | 179.2° |
| C12 | C10 | C09 | C15 | 0.3° | 0.3° |
| C12 | C10 | C09 | F11 | 179.7° | 179.7° |
| C12 | C10 | C09 | C07 | 179.6° | 179.7° |
| C10 | C12 | C13 | H1 | 179.9° | 179.8° |
| C29 | C28 | C26 | H5 | 120.3° | 120.0° |
| C29 | C28 | C26 | H6 | 120.2° | 120.0° |
| C28 | C29 | C30 | H27 | 120.3° | 120.0° |
| C28 | C29 | C30 | H28 | 120.3° | 119.9° |
| C28 | C29 | C30 | N31 | 53.7° | 54.7° |
| C29 | C28 | C26 | C16 | 174.1° | 178.6° |
| C29 | C28 | C26 | C32 | 58.8° | 61.3° |
| C29 | C28 | C26 | H4 | 54.4° | 58.5° |
| C29 | C28 | H5 | H6 | 119.2° | 120.0° |
| C28 | C29 | H27 | H28 | 119.1° | 120.1° |
| C28 | C29 | C30 | H29 | 66.7° | 65.2° |
| C28 | C29 | C30 | H30 | 174.0° | 174.4° |
| C28 | C26 | C16 | C15 | 46.4° | 62.9° |
| C26 | C28 | C29 | C30 | 56.2° | 61.4° |
| C28 | C26 | C16 | C32 | 122.5° | 119.9° |
| C28 | C26 | C16 | H4 | 120.2° | 120.1° |
| C28 | C26 | C16 | C18 | 179.0° | 57.2° |
| C28 | C26 | C32 | H4 | 113.7° | 119.9° |
| C28 | C26 | C32 | N31 | 64.7° | 54.6° |
| C26 | C28 | H5 | H6 | 119.3° | 119.9° |
| C26 | C28 | C29 | H27 | 176.4° | 178.7° |
| C26 | C28 | C29 | H28 | 64.1° | 58.6° |
| C28 | C26 | C32 | H31 | 175.0° | 174.4° |
| C28 | C26 | C32 | H32 | 55.5° | 65.2° |
| C15 | C16 | C26 | C18 | 134.5° | 120.0° |
| C16 | C15 | C09 | C10 | 179.3° | 180.0° |
| C15 | C16 | C26 | C32 | 168.9° | 57.0° |
| C16 | C15 | C09 | C07 | 1.4° | 0.0° |
| C15 | C16 | C18 | C19 | 42.9° | 60.8° |
| C15 | C16 | C26 | H4 | 73.7° | 177.1° |
| C16 | C15 | C14 | H17 | 0.7° | 0.3° |
| C15 | C16 | O17 | H18 | 180.0° | 180.0° |
| C15 | C16 | C18 | H19 | 163.9° | 179.2° |
| C15 | C16 | C18 | H20 | 78.0° | 59.2° |
| C09 | C15 | C16 | C26 | 69.0° | 107.8° |
| C09 | C15 | C16 | C18 | 66.7° | 132.1° |
| C15 | C09 | C10 | C07 | 179.3° | 180.0° |
| C15 | C09 | C10 | F11 | 179.9° | 180.0° |
| C15 | C09 | C07 | C06 | 94.1° | 92.3° |
| C15 | C09 | C07 | C08 | 89.9° | 88.0° |
| C09 | C15 | C14 | H17 | 179.4° | 179.8° |
| C29 | C30 | N31 | H29 | 120.3° | 119.8° |
| C29 | C30 | N31 | H30 | 120.3° | 119.8° |
| C29 | C30 | N31 | C32 | 57.7° | 53.6° |
| C29 | C30 | N31 | C33 | 122.7° | 126.4° |
| C30 | C29 | C28 | H5 | 176.4° | 58.7° |
| C30 | C29 | C28 | H6 | 64.1° | 178.7° |
| C30 | C29 | H27 | H28 | 119.1° | 120.1° |
| C29 | C30 | H29 | H30 | 119.0° | 120.3° |
| C30 | N31 | C32 | C26 | 64.2° | 53.6° |
| C30 | N31 | C32 | C33 | 179.6° | 180.0° |
| C30 | N31 | C33 | O34 | 0.2° | 180.0° |
| C30 | N31 | C33 | C35 | 178.7° | 0.0° |
| N31 | C30 | C29 | H27 | 174.0° | 174.6° |
| N31 | C30 | C29 | H28 | 66.6° | 65.2° |
| N31 | C30 | H29 | H30 | 119.0° | 120.3° |
| C30 | N31 | C32 | H31 | 175.6° | 173.5° |
| C30 | N31 | C32 | H32 | 56.0° | 66.2° |
| C16 | C26 | C32 | H4 | 117.3° | 120.1° |
| C16 | C26 | C32 | N31 | 166.3° | 174.6° |
| C26 | C16 | C18 | C19 | 176.7° | 179.2° |
| C16 | C26 | C28 | H5 | 53.9° | 61.3° |
| C16 | C26 | C28 | H6 | 65.6° | 58.6° |
| C26 | C16 | O17 | H18 | 63.9° | 60.0° |
| C26 | C16 | C18 | H19 | 62.4° | 59.2° |
| C26 | C16 | C18 | H20 | 55.7° | 60.8° |
| C16 | C26 | C32 | H31 | 46.0° | 65.6° |
| C16 | C26 | C32 | H32 | 73.5° | 54.8° |
| C18 | C16 | C26 | C32 | 56.6° | 177.0° |
| C16 | C18 | C19 | H19 | 121.0° | 120.0° |
| C16 | C18 | C19 | H20 | 121.0° | 120.0° |
| C16 | C18 | C19 | C20 | 165.1° | 180.0° |
| C18 | C16 | C26 | H4 | 60.8° | 62.9° |
| C18 | C16 | O17 | H18 | 56.8° | 60.0° |
| C16 | C18 | H19 | H20 | 117.0° | 120.0° |
| C16 | C18 | C19 | H21 | 44.6° | 60.0° |
| C16 | C18 | C19 | H22 | 74.5° | 60.0° |
| C10 | C09 | C07 | C06 | 85.1° | 87.8° |
| C10 | C09 | C07 | C08 | 90.9° | 91.9° |
| C09 | C10 | C12 | H16 | 179.9° | 180.0° |
| F11 | C10 | C09 | C07 | 0.6° | 0.0° |
| F11 | C10 | C12 | H16 | 0.3° | 0.2° |
| C26 | C32 | N31 | H31 | 120.2° | 119.9° |
| C26 | C32 | N31 | H32 | 120.2° | 119.8° |
| C26 | C32 | N31 | C33 | 116.2° | 126.4° |
| C32 | C26 | C28 | H5 | 179.1° | 58.7° |
| C32 | C26 | C28 | H6 | 61.4° | 178.7° |
| C26 | C32 | H31 | H32 | 119.4° | 120.4° |
| C32 | N31 | C33 | O34 | 179.3° | 0.0° |
| C32 | N31 | C33 | C35 | 0.8° | 180.0° |
| N31 | C32 | C26 | H4 | 49.0° | 65.3° |
| C32 | N31 | C30 | H29 | 62.7° | 66.2° |
| C32 | N31 | C30 | H30 | 178.0° | 173.3° |
| N31 | C32 | H31 | H32 | 119.4° | 120.2° |
| C09 | C07 | C06 | C08 | 176.1° | 179.7° |
| C09 | C07 | C06 | C05 | 178.5° | 180.0° |
| C09 | C07 | C08 | C03 | 178.4° | 179.8° |
| C09 | C07 | C06 | H14 | 1.5° | 0.1° |
| C09 | C07 | C08 | H15 | 1.6° | 0.3° |
| C18 | C19 | C20 | H21 | 120.4° | 120.0° |
| C18 | C19 | C20 | H22 | 120.4° | 120.0° |
| C18 | C19 | C20 | N21 | 60.5° | 180.0° |
| C18 | C19 | C20 | H2 | 60.0° | 60.0° |
| C18 | C19 | C20 | H3 | 179.1° | 60.0° |
| C19 | C18 | H19 | H20 | 117.0° | 120.1° |
| C18 | C19 | H21 | H22 | 118.6° | 120.0° |
| C19 | C20 | N21 | C22 | 86.9° | 180.0° |
| C19 | C20 | N21 | H2 | 120.5° | 120.0° |
| C19 | C20 | N21 | H3 | 120.4° | 119.9° |
| C19 | C20 | H2 | H3 | 118.5° | 119.9° |
| C20 | C19 | C18 | H19 | 73.9° | 60.0° |
| C20 | C19 | C18 | H20 | 44.1° | 60.0° |
| C20 | C19 | H21 | H22 | 118.7° | 120.0° |
| C19 | C20 | N21 | H23 | 93.1° | 0.1° |
| N31 | C33 | O34 | C35 | 178.5° | 180.0° |
| N31 | C33 | C35 | C36 | 127.9° | 180.0° |
| C33 | N31 | C30 | H29 | 117.0° | 113.8° |
| C33 | N31 | C30 | H30 | 2.4° | 6.6° |
| C33 | N31 | C32 | H31 | 4.0° | 6.5° |
| C33 | N31 | C32 | H32 | 123.6° | 113.8° |
| N31 | C33 | C35 | H33 | 7.0° | 60.0° |
| N31 | C33 | C35 | H34 | 111.2° | 60.0° |
| O23 | C22 | O24 | C25 | 6.0° | 0.0° |
| O23 | C22 | O24 | N21 | 179.5° | 180.0° |
| O23 | C22 | N21 | C20 | 17.4° | 0.1° |
| O23 | C22 | N21 | H23 | 162.5° | 180.0° |
| C25 | O24 | C22 | N21 | 173.5° | 180.0° |
| O24 | C25 | H24 | H25 | 120.0° | 120.0° |
| O24 | C25 | H24 | H26 | 120.0° | 120.0° |
| O24 | C25 | H25 | H26 | 119.9° | 120.0° |
| O24 | C22 | N21 | C20 | 163.1° | 180.0° |
| O24 | C22 | N21 | H23 | 16.9° | 0.0° |
| C22 | O24 | C25 | H24 | 180.0° | 60.0° |
| C22 | O24 | C25 | H25 | 60.0° | 60.0° |
| C22 | O24 | C25 | H26 | 60.0° | 180.0° |
| C22 | N21 | C20 | H23 | 180.0° | 179.9° |
| C22 | N21 | C20 | H2 | 152.6° | 60.0° |
| C22 | N21 | C20 | H3 | 33.5° | 60.1° |
| N21 | C20 | H2 | H3 | 118.5° | 120.0° |
| N21 | C20 | C19 | H21 | 179.1° | 60.0° |
| N21 | C20 | C19 | H22 | 59.9° | 59.9° |
| C07 | C06 | C05 | H14 | 180.0° | 179.9° |
| C06 | C07 | C08 | C03 | 2.3° | 0.5° |
| C07 | C06 | C05 | C04 | 1.5° | 0.0° |
| C07 | C06 | C05 | H13 | 178.5° | 179.9° |
| C06 | C07 | C08 | H15 | 177.7° | 180.0° |
| C08 | C07 | C06 | C05 | 2.4° | 0.3° |
| C07 | C08 | C03 | H15 | 180.0° | 179.5° |
| C07 | C08 | C03 | C04 | 1.3° | 0.5° |
| C07 | C08 | C03 | C02 | 179.3° | 179.7° |
| C08 | C07 | C06 | H14 | 177.6° | 179.8° |
| O34 | C33 | C35 | C36 | 53.6° | 0.0° |
| O34 | C33 | C35 | H33 | 174.5° | 120.0° |
| O34 | C33 | C35 | H34 | 67.3° | 120.0° |
| C33 | C35 | C36 | H33 | 120.9° | 120.0° |
| C33 | C35 | C36 | H34 | 120.9° | 120.0° |
| C33 | C35 | C36 | C37 | 85.9° | 175.0° |
| C33 | C35 | C36 | C41 | 152.0° | 65.4° |
| C33 | C35 | H33 | H34 | 117.3° | 120.0° |
| C33 | C35 | C36 | H35 | 33.4° | 54.8° |
| C06 | C05 | C04 | H13 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.4° | 0.0° |
| C06 | C05 | C04 | H12 | 179.6° | 180.0° |
| C35 | C36 | C37 | C41 | 122.9° | 119.9° |
| C35 | C36 | C37 | H35 | 119.2° | 120.2° |
| C35 | C36 | C41 | H35 | 118.8° | 120.2° |
| C35 | C36 | C37 | C38 | 169.2° | 177.6° |
| C35 | C36 | C41 | C40 | 168.3° | 177.5° |
| C36 | C35 | H33 | H34 | 117.3° | 120.0° |
| C35 | C36 | C37 | H36 | 70.3° | 62.5° |
| C35 | C36 | C37 | H37 | 48.6° | 57.6° |
| C35 | C36 | C41 | H44 | 47.7° | 57.6° |
| C35 | C36 | C41 | H45 | 71.1° | 62.6° |
| C08 | C03 | C04 | C05 | 0.2° | 0.3° |
| C08 | C03 | C04 | C02 | 179.4° | 179.7° |
| C08 | C03 | C02 | C01 | 78.8° | 95.1° |
| C08 | C03 | C02 | H10 | 160.5° | 144.9° |
| C08 | C03 | C02 | H11 | 42.0° | 25.0° |
| C08 | C03 | C04 | H12 | 179.8° | 179.8° |
| C05 | C04 | C03 | H12 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.6° | 180.0° |
| C04 | C05 | C06 | H14 | 178.5° | 179.9° |
| C04 | C03 | C02 | C01 | 101.9° | 85.2° |
| C04 | C03 | C02 | H10 | 18.9° | 34.8° |
| C04 | C03 | C02 | H11 | 137.3° | 154.8° |
| C03 | C04 | C05 | H13 | 179.6° | 179.9° |
| C04 | C03 | C08 | H15 | 178.7° | 180.0° |
| C03 | C02 | C01 | H10 | 120.8° | 120.0° |
| C03 | C02 | C01 | H11 | 120.8° | 120.1° |
| C03 | C02 | C01 | H7 | 180.0° | 64.9° |
| C03 | C02 | C01 | H8 | 60.0° | 175.1° |
| C03 | C02 | C01 | H9 | 60.0° | 55.1° |
| C03 | C02 | H10 | H11 | 117.6° | 120.0° |
| C02 | C03 | C04 | H12 | 0.4° | 0.0° |
| C02 | C03 | C08 | H15 | 0.7° | 0.2° |
| C37 | C36 | C41 | H35 | 118.0° | 120.0° |
| C36 | C37 | C38 | H36 | 120.6° | 119.9° |
| C36 | C37 | C38 | H37 | 120.6° | 120.0° |
| C37 | C36 | C41 | C40 | 45.2° | 57.7° |
| C36 | C37 | C38 | N39 | 55.9° | 59.2° |
| C37 | C36 | C35 | H33 | 35.0° | 55.0° |
| C37 | C36 | C35 | H34 | 153.2° | 65.0° |
| C36 | C37 | H36 | H37 | 118.3° | 120.1° |
| C36 | C37 | C38 | H38 | 64.3° | 60.8° |
| C36 | C37 | C38 | H39 | 176.1° | 179.2° |
| C37 | C36 | C41 | H44 | 75.4° | 62.3° |
| C37 | C36 | C41 | H45 | 165.8° | 177.6° |
| C41 | C36 | C37 | C38 | 46.2° | 57.7° |
| C36 | C41 | C40 | H44 | 120.6° | 119.9° |
| C36 | C41 | C40 | H45 | 120.6° | 119.9° |
| C36 | C41 | C40 | N39 | 54.4° | 59.2° |
| C41 | C36 | C35 | H33 | 87.1° | 174.7° |
| C41 | C36 | C35 | H34 | 31.1° | 54.6° |
| C41 | C36 | C37 | H36 | 166.8° | 177.6° |
| C41 | C36 | C37 | H37 | 74.3° | 62.3° |
| C36 | C41 | C40 | H42 | 174.5° | 60.8° |
| C36 | C41 | C40 | H43 | 65.7° | 179.2° |
| C36 | C41 | H44 | H45 | 118.1° | 120.1° |
| C37 | C38 | N39 | H38 | 120.2° | 120.0° |
| C37 | C38 | N39 | H39 | 120.2° | 120.0° |
| C37 | C38 | N39 | C40 | 64.0° | 61.8° |
| C38 | C37 | C36 | H35 | 71.6° | 62.3° |
| C38 | C37 | H36 | H37 | 118.3° | 120.1° |
| C37 | C38 | H38 | H39 | 119.4° | 120.0° |
| C37 | C38 | N39 | H40 | 175.9° | 174.2° |
| C41 | C40 | N39 | C38 | 62.3° | 61.8° |
| C41 | C40 | N39 | H42 | 120.1° | 120.0° |
| C41 | C40 | N39 | H43 | 120.1° | 120.0° |
| C40 | C41 | C36 | H35 | 72.8° | 62.3° |
| C41 | C40 | N39 | H40 | 177.6° | 174.2° |
| C41 | C40 | H42 | H43 | 119.6° | 119.9° |
| C40 | C41 | H44 | H45 | 118.1° | 120.1° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | H10 | H11 | 117.6° | 120.0° |
| C38 | N39 | C40 | H40 | 120.1° | 124.0° |
| N39 | C38 | C37 | H36 | 176.4° | 179.1° |
| N39 | C38 | C37 | H37 | 64.7° | 60.8° |
| N39 | C38 | H38 | H39 | 119.3° | 119.9° |
| C38 | N39 | C40 | H42 | 177.6° | 58.2° |
| C38 | N39 | C40 | H43 | 57.8° | 178.2° |
| C40 | N39 | C38 | H38 | 56.2° | 58.2° |
| C40 | N39 | C38 | H39 | 175.8° | 178.2° |
| N39 | C40 | H42 | H43 | 119.7° | 120.0° |
| N39 | C40 | C41 | H44 | 66.2° | 60.7° |
| N39 | C40 | C41 | H45 | 175.0° | 179.1° |
| H1 | C13 | C12 | H16 | 0.1° | 0.2° |
| H1 | C13 | C14 | H17 | 0.2° | 0.3° |
| H2 | C20 | C19 | H21 | 60.4° | 60.0° |
| H2 | C20 | C19 | H22 | 179.6° | 180.0° |
| H2 | C20 | N21 | H23 | 27.4° | 119.9° |
| H3 | C20 | C19 | H21 | 58.6° | 180.0° |
| H3 | C20 | C19 | H22 | 60.5° | 60.0° |
| H3 | C20 | N21 | H23 | 146.4° | 120.0° |
| H4 | C26 | C28 | H5 | 65.9° | 178.6° |
| H4 | C26 | C28 | H6 | 174.6° | 61.5° |
| H4 | C26 | C32 | H31 | 71.2° | 54.5° |
| H4 | C26 | C32 | H32 | 169.2° | 175.0° |
| H5 | C28 | C29 | H27 | 63.3° | 61.3° |
| H5 | C28 | C29 | H28 | 56.1° | 178.6° |
| H6 | C28 | C29 | H27 | 56.2° | 58.7° |
| H6 | C28 | C29 | H28 | 175.6° | 61.4° |
| H7 | C01 | H8 | H9 | 119.9° | 120.0° |
| H7 | C01 | C02 | H10 | 59.2° | 175.1° |
| H7 | C01 | C02 | H11 | 59.2° | 55.2° |
| H8 | C01 | C02 | H10 | 179.2° | 55.1° |
| H8 | C01 | C02 | H11 | 60.8° | 64.9° |
| H9 | C01 | C02 | H10 | 60.8° | 64.9° |
| H9 | C01 | C02 | H11 | 179.2° | 175.2° |
| H12 | C04 | C05 | H13 | 0.4° | 0.0° |
| H13 | C05 | C06 | H14 | 1.5° | 0.0° |
| H19 | C18 | C19 | H21 | 165.6° | 60.0° |
| H19 | C18 | C19 | H22 | 46.5° | 180.0° |
| H20 | C18 | C19 | H21 | 76.3° | 180.0° |
| H20 | C18 | C19 | H22 | 164.6° | 60.0° |
| H24 | C25 | H25 | H26 | 120.0° | 120.0° |
| H27 | C29 | C30 | H29 | 53.6° | 54.8° |
| H27 | C29 | C30 | H30 | 65.7° | 65.6° |
| H28 | C29 | C30 | H29 | 173.1° | 174.9° |
| H28 | C29 | C30 | H30 | 53.7° | 54.5° |
| H33 | C35 | C36 | H35 | 154.2° | 65.1° |
| H34 | C35 | C36 | H35 | 87.5° | 174.8° |
| H35 | C36 | C37 | H36 | 48.9° | 57.6° |
| H35 | C36 | C37 | H37 | 167.8° | 177.8° |
| H35 | C36 | C41 | H44 | 166.6° | 177.8° |
| H35 | C36 | C41 | H45 | 47.8° | 57.6° |
| H36 | C37 | C38 | H38 | 56.2° | 59.1° |
| H36 | C37 | C38 | H39 | 63.4° | 60.9° |
| H37 | C37 | C38 | H38 | 175.1° | 179.2° |
| H37 | C37 | C38 | H39 | 55.5° | 59.2° |
| H38 | C38 | N39 | H40 | 63.9° | 65.8° |
| H39 | C38 | N39 | H40 | 55.7° | 54.2° |
| H40 | N39 | C40 | H42 | 57.5° | 65.8° |
| H40 | N39 | C40 | H43 | 62.3° | 54.2° |
| H42 | C40 | C41 | H44 | 53.9° | 179.2° |
| H42 | C40 | C41 | H45 | 64.9° | 59.1° |
| H43 | C40 | C41 | H44 | 173.7° | 59.3° |
| H43 | C40 | C41 | H45 | 54.9° | 60.9° |
