VAQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.49Å | |
| C12 | N11 | sing | 1.48Å | 1.53Å | |
| C12 | C16 | sing | 1.53Å | 1.54Å | |
| C10 | N11 | sing | 1.47Å | 1.48Å | |
| C10 | C09 | sing | 1.51Å | 1.52Å | |
| C41 | C42 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.41Å | Aromatic |
| C42 | C37 | sing | 1.38Å | 1.43Å | Aromatic |
| N11 | C20 | sing | 1.48Å | 1.52Å | |
| C09 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C16 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.54Å | 1.55Å | |
| C40 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C20 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C37 | C36 | sing | 1.51Å | 1.68Å | |
| C37 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C36 | N35 | sing | 1.46Å | 1.53Å | |
| C18 | C17 | sing | 1.54Å | 1.55Å | |
| C07 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C06 | sing | 1.40Å | 1.46Å | Aromatic |
| C22 | O23 | sing | 1.36Å | 1.39Å | |
| C39 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.59Å | |
| C27 | N29 | sing | 1.47Å | 1.54Å | |
| C06 | C05 | sing | 1.48Å | 1.55Å | |
| N35 | C34 | sing | 1.39Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C43 | C34 | doub | 1.39Å | 1.45Å | Aromatic |
| C43 | C30 | sing | 1.39Å | 1.43Å | Aromatic |
| N29 | C30 | sing | 1.39Å | 1.52Å | |
| N29 | C28 | sing | 1.47Å | 1.51Å | |
| C05 | O24 | doub | 1.22Å | 1.24Å | |
| C05 | N04 | sing | 1.35Å | 1.44Å | |
| C25 | C02 | sing | 1.53Å | 1.52Å | |
| C34 | N33 | sing | 1.33Å | 1.37Å | Aromatic |
| C30 | N31 | doub | 1.33Å | 1.36Å | Aromatic |
| C28 | C02 | sing | 1.53Å | 1.59Å | |
| N04 | C03 | sing | 1.47Å | 1.49Å | |
| C02 | C03 | sing | 1.53Å | 1.59Å | |
| C02 | O01 | sing | 1.43Å | 1.38Å | |
| N33 | C32 | doub | 1.32Å | 1.37Å | Aromatic |
| N31 | C32 | sing | 1.32Å | 1.37Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.08Å | 1.08Å | |
| C08 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.08Å | 1.08Å | |
| C39 | H34 | sing | 1.08Å | 1.08Å | |
| C40 | H35 | sing | 1.08Å | 1.08Å | |
| C41 | H36 | sing | 1.08Å | 1.08Å | |
| C42 | H37 | sing | 1.08Å | 1.08Å | |
| C43 | H38 | sing | 1.08Å | 1.08Å | |
| N04 | H39 | sing | 0.97Å | 1.00Å | |
| N35 | H41 | sing | 0.97Å | 1.00Å | |
| O01 | H42 | sing | 0.97Å | 0.95Å | |
| O23 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C13 | 59.5° | 60.0° |
| C15 | C14 | C13 | 60.9° | 60.0° |
| C14 | C15 | H4 | 120.1° | 117.5° |
| C14 | C15 | H5 | 120.1° | 117.5° |
| C15 | C14 | H20 | 119.9° | 117.5° |
| C15 | C14 | H21 | 119.9° | 117.5° |
| C15 | C13 | C14 | 59.6° | 60.0° |
| C15 | C13 | C12 | 129.1° | 117.5° |
| C15 | C13 | H3 | 111.3° | 117.5° |
| C13 | C15 | H4 | 120.1° | 117.5° |
| C13 | C15 | H5 | 120.1° | 117.5° |
| C14 | C13 | C12 | 123.4° | 117.5° |
| C14 | C13 | H3 | 111.6° | 117.5° |
| C13 | C14 | H20 | 119.8° | 117.5° |
| C13 | C14 | H21 | 119.8° | 117.5° |
| C13 | C12 | N11 | 108.3° | 113.8° |
| C13 | C12 | C16 | 118.2° | 113.8° |
| C12 | C13 | H3 | 112.0° | 115.6° |
| C13 | C12 | H19 | 114.2° | 113.0° |
| N11 | C12 | C16 | 85.6° | 85.8° |
| C12 | N11 | C10 | 110.2° | 111.0° |
| C12 | N11 | C20 | 88.0° | 91.0° |
| N11 | C12 | H19 | 113.5° | 113.8° |
| C12 | C16 | C19 | 117.2° | 121.3° |
| C12 | C16 | C20 | 87.8° | 87.4° |
| C12 | C16 | C17 | 126.7° | 121.3° |
| C16 | C12 | H19 | 113.4° | 113.9° |
| N11 | C10 | C09 | 105.7° | 109.4° |
| C10 | N11 | C20 | 108.9° | 111.0° |
| N11 | C10 | H1 | 110.4° | 109.5° |
| N11 | C10 | H2 | 110.4° | 109.5° |
| C10 | C09 | C08 | 121.0° | 119.8° |
| C10 | C09 | C21 | 118.0° | 119.8° |
| C09 | C10 | H1 | 110.4° | 109.5° |
| C09 | C10 | H2 | 110.4° | 109.5° |
| C42 | C41 | C40 | 120.0° | 120.0° |
| C41 | C42 | C37 | 122.4° | 120.0° |
| C42 | C41 | H36 | 120.0° | 120.0° |
| C41 | C42 | H37 | 118.8° | 120.0° |
| C41 | C40 | C39 | 119.6° | 119.9° |
| C41 | C40 | H35 | 120.2° | 120.0° |
| C40 | C41 | H36 | 120.0° | 120.0° |
| C42 | C37 | C36 | 124.2° | 120.0° |
| C42 | C37 | C38 | 115.8° | 120.0° |
| C37 | C42 | H37 | 118.8° | 120.0° |
| N11 | C20 | C16 | 86.2° | 85.9° |
| N11 | C20 | H8 | 114.9° | 113.8° |
| N11 | C20 | H9 | 114.9° | 113.9° |
| C08 | C09 | C21 | 121.0° | 120.4° |
| C09 | C08 | C07 | 118.6° | 120.3° |
| C09 | C08 | H18 | 120.7° | 119.9° |
| C09 | C21 | C22 | 120.2° | 120.1° |
| C09 | C21 | H10 | 119.9° | 120.0° |
| C16 | C19 | C18 | 87.6° | 86.7° |
| C19 | C16 | C20 | 123.5° | 121.3° |
| C19 | C16 | C17 | 92.4° | 88.2° |
| C16 | C19 | H24 | 114.6° | 113.6° |
| C16 | C19 | H25 | 114.6° | 113.6° |
| C19 | C18 | C17 | 91.4° | 87.3° |
| C19 | C18 | H22 | 113.8° | 113.6° |
| C19 | C18 | H23 | 113.8° | 113.6° |
| C18 | C19 | H24 | 114.6° | 113.6° |
| C18 | C19 | H25 | 114.6° | 113.7° |
| C40 | C39 | C38 | 119.7° | 120.0° |
| C40 | C39 | H34 | 120.2° | 119.9° |
| C39 | C40 | H35 | 120.2° | 120.0° |
| C20 | C16 | C17 | 112.7° | 121.3° |
| C16 | C20 | H8 | 114.9° | 113.8° |
| C16 | C20 | H9 | 114.9° | 113.8° |
| C16 | C17 | C18 | 88.2° | 86.8° |
| C16 | C17 | H6 | 114.5° | 113.7° |
| C16 | C17 | H7 | 114.5° | 113.7° |
| C08 | C07 | C06 | 122.8° | 119.9° |
| C08 | C07 | H17 | 118.6° | 120.1° |
| C07 | C08 | H18 | 120.7° | 119.8° |
| C21 | C22 | C06 | 119.7° | 119.7° |
| C21 | C22 | O23 | 121.6° | 120.2° |
| C22 | C21 | H10 | 119.9° | 119.9° |
| C36 | C37 | C38 | 120.0° | 120.0° |
| C37 | C36 | N35 | 118.6° | 109.5° |
| C37 | C36 | H31 | 107.2° | 109.4° |
| C37 | C36 | H32 | 107.2° | 109.4° |
| C37 | C38 | C39 | 122.5° | 120.0° |
| C37 | C38 | H33 | 118.7° | 120.0° |
| C36 | N35 | C34 | 130.1° | 120.0° |
| N35 | C36 | H31 | 107.1° | 109.5° |
| N35 | C36 | H32 | 107.1° | 109.5° |
| C36 | N35 | H41 | 104.1° | 120.0° |
| C18 | C17 | H6 | 114.5° | 113.6° |
| C18 | C17 | H7 | 114.5° | 113.7° |
| C17 | C18 | H22 | 113.8° | 113.6° |
| C17 | C18 | H23 | 113.8° | 113.6° |
| C07 | C06 | C22 | 117.7° | 119.6° |
| C07 | C06 | C05 | 119.6° | 120.2° |
| C06 | C07 | H17 | 118.6° | 120.0° |
| C06 | C22 | O23 | 118.7° | 120.2° |
| C22 | C06 | C05 | 122.7° | 120.2° |
| C22 | O23 | H43 | 109.5° | 114.1° |
| C39 | C38 | H33 | 118.7° | 120.0° |
| C38 | C39 | H34 | 120.1° | 120.0° |
| C26 | C27 | N29 | 114.4° | 109.6° |
| C27 | C26 | C25 | 113.6° | 109.3° |
| C27 | C26 | H11 | 108.4° | 109.5° |
| C27 | C26 | H12 | 108.4° | 109.6° |
| C26 | C27 | H28 | 108.2° | 109.5° |
| C26 | C27 | H29 | 108.2° | 109.4° |
| C27 | N29 | C30 | 125.2° | 111.0° |
| C27 | N29 | C28 | 110.5° | 111.2° |
| N29 | C27 | H28 | 108.2° | 109.5° |
| N29 | C27 | H29 | 108.2° | 109.4° |
| C06 | C05 | O24 | 119.4° | 120.0° |
| C06 | C05 | N04 | 125.5° | 120.0° |
| N35 | C34 | C43 | 120.9° | 120.5° |
| N35 | C34 | N33 | 122.2° | 120.5° |
| C34 | N35 | H41 | 104.1° | 120.0° |
| C26 | C25 | C02 | 111.6° | 109.1° |
| C25 | C26 | H11 | 108.4° | 109.5° |
| C25 | C26 | H12 | 108.5° | 109.5° |
| C26 | C25 | H26 | 108.9° | 109.5° |
| C26 | C25 | H27 | 108.9° | 109.6° |
| C34 | C43 | C30 | 120.9° | 118.3° |
| C43 | C34 | N33 | 116.8° | 119.1° |
| C34 | C43 | H38 | 119.5° | 120.9° |
| C43 | C30 | N29 | 120.1° | 120.5° |
| C43 | C30 | N31 | 118.8° | 119.0° |
| C30 | C43 | H38 | 119.5° | 120.8° |
| C30 | N29 | C28 | 123.5° | 111.1° |
| N29 | C30 | N31 | 121.1° | 120.5° |
| N29 | C28 | C02 | 113.8° | 109.5° |
| N29 | C28 | H13 | 108.4° | 109.5° |
| N29 | C28 | H14 | 108.4° | 109.4° |
| O24 | C05 | N04 | 115.1° | 120.0° |
| C05 | N04 | C03 | 123.9° | 120.0° |
| C05 | N04 | H39 | 118.0° | 120.0° |
| C25 | C02 | C28 | 108.0° | 109.3° |
| C25 | C02 | C03 | 110.1° | 109.5° |
| C25 | C02 | O01 | 108.3° | 109.5° |
| C02 | C25 | H26 | 109.0° | 109.5° |
| C02 | C25 | H27 | 108.9° | 109.5° |
| C34 | N33 | C32 | 119.8° | 120.9° |
| C30 | N31 | C32 | 118.7° | 120.9° |
| C28 | C02 | C03 | 108.2° | 109.5° |
| C28 | C02 | O01 | 110.6° | 109.5° |
| C02 | C28 | H13 | 108.4° | 109.5° |
| C02 | C28 | H14 | 108.4° | 109.5° |
| N04 | C03 | C02 | 109.3° | 109.5° |
| N04 | C03 | H15 | 109.5° | 109.5° |
| N04 | C03 | H16 | 109.5° | 109.4° |
| C03 | N04 | H39 | 118.0° | 120.0° |
| C03 | C02 | O01 | 111.5° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | O01 | H42 | 109.5° | 114.0° |
| N33 | C32 | N31 | 124.9° | 121.9° |
| N33 | C32 | H30 | 117.6° | 119.1° |
| N31 | C32 | H30 | 117.5° | 119.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 115.6° |
| H6 | C17 | H7 | 109.5° | 112.9° |
| H8 | C20 | H9 | 109.5° | 113.0° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 115.6° |
| H22 | C18 | H23 | 109.5° | 112.8° |
| H24 | C19 | H25 | 109.5° | 113.0° |
| H26 | C25 | H27 | 109.5° | 109.6° |
| H28 | C27 | H29 | 109.5° | 109.4° |
| H31 | C36 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C13 | H4 | 109.3° | 107.5° |
| C14 | C15 | C13 | H5 | 109.4° | 107.5° |
| C15 | C14 | C13 | H20 | 109.7° | 107.5° |
| C15 | C14 | C13 | H21 | 109.7° | 107.4° |
| C14 | C15 | C13 | C12 | 110.2° | 107.5° |
| C14 | C15 | C13 | H3 | 103.2° | 107.5° |
| C14 | C15 | H4 | H5 | 145.0° | 145.7° |
| C15 | C14 | H20 | H21 | 144.3° | 145.6° |
| C15 | C13 | C12 | H3 | 146.4° | 145.7° |
| C15 | C13 | C12 | N11 | 97.4° | 79.6° |
| C15 | C13 | C12 | C16 | 167.7° | 175.8° |
| C13 | C15 | H4 | H5 | 145.0° | 145.7° |
| C15 | C13 | C12 | H19 | 30.2° | 52.2° |
| C14 | C13 | C12 | H3 | 137.8° | 145.7° |
| C14 | C13 | C12 | N11 | 173.2° | 148.3° |
| C14 | C13 | C12 | C16 | 91.9° | 115.5° |
| C14 | C13 | C12 | H19 | 45.6° | 16.4° |
| C13 | C14 | H20 | H21 | 144.2° | 145.8° |
| C13 | C12 | N11 | C16 | 118.3° | 114.2° |
| C13 | C12 | N11 | H19 | 128.0° | 131.4° |
| C13 | C12 | C16 | H19 | 137.8° | 131.5° |
| C13 | C12 | N11 | C10 | 106.1° | 108.9° |
| C13 | C12 | N11 | C20 | 144.4° | 138.1° |
| C13 | C12 | C16 | C19 | 98.5° | 97.1° |
| C13 | C12 | C16 | C20 | 134.6° | 137.4° |
| C13 | C12 | C16 | C17 | 17.6° | 11.9° |
| C12 | C13 | C15 | H4 | 140.5° | 0.0° |
| C12 | C13 | C15 | H5 | 0.8° | 145.1° |
| C12 | C13 | C14 | H20 | 9.5° | 145.0° |
| C12 | C13 | C14 | H21 | 131.0° | 0.1° |
| N11 | C12 | C16 | H19 | 113.7° | 114.2° |
| C12 | N11 | C10 | C20 | 95.0° | 99.6° |
| C12 | N11 | C10 | C09 | 162.7° | 170.0° |
| N11 | C12 | C16 | C19 | 153.0° | 148.7° |
| N11 | C12 | C16 | C20 | 26.1° | 23.2° |
| N11 | C12 | C16 | C17 | 90.9° | 102.3° |
| C12 | N11 | C10 | H1 | 77.8° | 70.0° |
| C12 | N11 | C10 | H2 | 43.3° | 50.0° |
| N11 | C12 | C13 | H3 | 49.0° | 66.1° |
| C12 | N11 | C20 | H8 | 142.1° | 90.3° |
| C12 | N11 | C20 | H9 | 89.5° | 138.2° |
| C16 | C12 | N11 | C10 | 135.5° | 136.9° |
| C12 | C16 | C19 | C20 | 106.7° | 107.9° |
| C12 | C16 | C19 | C17 | 133.9° | 126.1° |
| C12 | C16 | C19 | C18 | 129.4° | 101.3° |
| C12 | C16 | C20 | C17 | 129.2° | 125.5° |
| C12 | C16 | C17 | C18 | 122.5° | 101.3° |
| C16 | C12 | C13 | H3 | 45.9° | 30.1° |
| C12 | C16 | C17 | H6 | 6.3° | 13.2° |
| C12 | C16 | C17 | H7 | 121.3° | 144.2° |
| C12 | C16 | C20 | H8 | 142.0° | 91.1° |
| C12 | C16 | C20 | H9 | 89.6° | 137.5° |
| C12 | C16 | C19 | H24 | 114.5° | 144.3° |
| C12 | C16 | C19 | H25 | 13.3° | 13.3° |
| N11 | C10 | C09 | H1 | 119.4° | 120.0° |
| N11 | C10 | C09 | H2 | 119.4° | 120.0° |
| N11 | C10 | C09 | C08 | 104.7° | 90.1° |
| N11 | C10 | C09 | C21 | 72.4° | 90.6° |
| C10 | N11 | C20 | C16 | 137.0° | 136.9° |
| N11 | C10 | H1 | H2 | 121.7° | 120.1° |
| C10 | N11 | C20 | H8 | 107.2° | 22.6° |
| C10 | N11 | C20 | H9 | 21.2° | 108.9° |
| C10 | N11 | C12 | H19 | 21.9° | 22.6° |
| C09 | C10 | N11 | C20 | 67.7° | 90.4° |
| C10 | C09 | C08 | C21 | 177.0° | 179.4° |
| C10 | C09 | C08 | C07 | 177.8° | 180.0° |
| C10 | C09 | C21 | C22 | 178.2° | 179.9° |
| C09 | C10 | H1 | H2 | 121.8° | 120.0° |
| C10 | C09 | C21 | H10 | 1.8° | 0.3° |
| C10 | C09 | C08 | H18 | 2.2° | 0.4° |
| C42 | C41 | C40 | H36 | 180.0° | 179.4° |
| C41 | C42 | C37 | H37 | 180.0° | 179.4° |
| C42 | C41 | C40 | C39 | 0.7° | 0.3° |
| C41 | C42 | C37 | C36 | 179.2° | 179.7° |
| C41 | C42 | C37 | C38 | 0.3° | 0.6° |
| C42 | C41 | C40 | H35 | 179.3° | 179.8° |
| C40 | C41 | C42 | C37 | 0.4° | 0.6° |
| C41 | C40 | C39 | H35 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 0.3° | 0.0° |
| C41 | C40 | C39 | H34 | 179.6° | 180.0° |
| C40 | C41 | C42 | H37 | 179.6° | 180.0° |
| C42 | C37 | C36 | C38 | 178.9° | 179.8° |
| C42 | C37 | C36 | N35 | 179.5° | 90.2° |
| C42 | C37 | C38 | C39 | 0.7° | 0.2° |
| C42 | C37 | C36 | H31 | 58.2° | 29.7° |
| C42 | C37 | C36 | H32 | 59.2° | 149.7° |
| C42 | C37 | C38 | H33 | 179.3° | 179.7° |
| C37 | C42 | C41 | H36 | 179.6° | 180.0° |
| N11 | C20 | C16 | C19 | 147.7° | 148.7° |
| N11 | C20 | C16 | H8 | 115.8° | 114.2° |
| N11 | C20 | C16 | H9 | 115.8° | 114.3° |
| N11 | C20 | C16 | C17 | 103.0° | 102.3° |
| C20 | N11 | C10 | H1 | 172.8° | 29.5° |
| C20 | N11 | C10 | H2 | 51.7° | 149.6° |
| N11 | C20 | H8 | H9 | 131.1° | 131.9° |
| C20 | N11 | C12 | H19 | 87.6° | 90.4° |
| C09 | C08 | C07 | H18 | 180.0° | 179.6° |
| C08 | C09 | C21 | C22 | 1.1° | 0.6° |
| C09 | C08 | C07 | C06 | 0.7° | 0.4° |
| C08 | C09 | C10 | H1 | 135.9° | 150.0° |
| C08 | C09 | C10 | H2 | 14.7° | 29.9° |
| C08 | C09 | C21 | H10 | 178.9° | 179.7° |
| C09 | C08 | C07 | H17 | 179.3° | 179.7° |
| C21 | C09 | C08 | C07 | 0.7° | 0.7° |
| C09 | C21 | C22 | H10 | 180.0° | 179.8° |
| C09 | C21 | C22 | C06 | 1.3° | 0.3° |
| C09 | C21 | C22 | O23 | 179.6° | 179.7° |
| C21 | C09 | C10 | H1 | 47.0° | 29.4° |
| C21 | C09 | C10 | H2 | 168.2° | 149.4° |
| C21 | C09 | C08 | H18 | 179.3° | 179.7° |
| C16 | C19 | C18 | H24 | 116.1° | 114.4° |
| C16 | C19 | C18 | H25 | 116.1° | 114.4° |
| C19 | C16 | C20 | C17 | 109.3° | 109.0° |
| C16 | C19 | C18 | C17 | 4.4° | 24.6° |
| C19 | C16 | C17 | H6 | 120.6° | 139.3° |
| C19 | C16 | C17 | H7 | 111.8° | 89.7° |
| C19 | C16 | C20 | H8 | 96.6° | 34.4° |
| C19 | C16 | C20 | H9 | 31.9° | 97.0° |
| C19 | C16 | C12 | H19 | 39.3° | 34.4° |
| C16 | C19 | C18 | H22 | 121.2° | 90.0° |
| C16 | C19 | C18 | H23 | 112.5° | 139.2° |
| C16 | C19 | H24 | H25 | 130.4° | 131.4° |
| C18 | C19 | C16 | C20 | 123.9° | 150.8° |
| C19 | C18 | C17 | H22 | 116.9° | 114.6° |
| C19 | C18 | C17 | H23 | 116.8° | 114.7° |
| C19 | C18 | C17 | H6 | 120.7° | 139.1° |
| C19 | C18 | C17 | H7 | 111.8° | 89.9° |
| C19 | C18 | H22 | H23 | 128.6° | 131.2° |
| C18 | C19 | H24 | H25 | 130.4° | 131.5° |
| C40 | C39 | C38 | C37 | 0.4° | 0.0° |
| C40 | C39 | C38 | H34 | 180.0° | 180.0° |
| C40 | C39 | C38 | H33 | 179.6° | 180.0° |
| C39 | C40 | C41 | H36 | 179.3° | 179.7° |
| C20 | C16 | C17 | C18 | 132.5° | 150.9° |
| C20 | C16 | C17 | H6 | 111.3° | 94.7° |
| C20 | C16 | C17 | H7 | 16.3° | 36.3° |
| C16 | C20 | H8 | H9 | 131.1° | 131.9° |
| C20 | C16 | C12 | H19 | 87.7° | 91.1° |
| C20 | C16 | C19 | H24 | 7.8° | 36.4° |
| C20 | C16 | C19 | H25 | 120.0° | 94.6° |
| C16 | C17 | C18 | H6 | 116.2° | 114.5° |
| C16 | C17 | C18 | H7 | 116.2° | 114.5° |
| C16 | C17 | H6 | H7 | 130.1° | 131.4° |
| C17 | C16 | C20 | H8 | 12.8° | 143.4° |
| C17 | C16 | C20 | H9 | 141.2° | 12.0° |
| C17 | C16 | C12 | H19 | 155.4° | 143.4° |
| C16 | C17 | C18 | H22 | 121.3° | 90.0° |
| C16 | C17 | C18 | H23 | 112.4° | 139.3° |
| C17 | C16 | C19 | H24 | 111.6° | 89.6° |
| C17 | C16 | C19 | H25 | 120.5° | 139.3° |
| C08 | C07 | C06 | H17 | 180.0° | 179.9° |
| C08 | C07 | C06 | C22 | 0.9° | 0.1° |
| C08 | C07 | C06 | C05 | 179.3° | 180.0° |
| C21 | C22 | C06 | C07 | 1.2° | 0.0° |
| C21 | C22 | C06 | O23 | 179.1° | 180.0° |
| C21 | C22 | C06 | C05 | 179.6° | 180.0° |
| C21 | C22 | O23 | H43 | 180.0° | 90.0° |
| C37 | C36 | N35 | H31 | 121.3° | 120.0° |
| C37 | C36 | N35 | H32 | 121.3° | 120.0° |
| C36 | C37 | C38 | C39 | 179.7° | 180.0° |
| C37 | C36 | N35 | C34 | 73.5° | 180.0° |
| C37 | C36 | H31 | H32 | 115.9° | 119.9° |
| C36 | C37 | C38 | H33 | 0.3° | 0.1° |
| C36 | C37 | C42 | H37 | 0.8° | 0.3° |
| C37 | C36 | N35 | H41 | 163.9° | 0.1° |
| C38 | C37 | C36 | N35 | 1.6° | 90.0° |
| C37 | C38 | C39 | H33 | 180.0° | 179.9° |
| C38 | C37 | C36 | H31 | 122.9° | 150.0° |
| C38 | C37 | C36 | H32 | 119.7° | 30.1° |
| C37 | C38 | C39 | H34 | 179.6° | 180.0° |
| C38 | C37 | C42 | H37 | 179.7° | 180.0° |
| C36 | N35 | C34 | H41 | 122.7° | 179.9° |
| C36 | N35 | C34 | C43 | 8.8° | 0.0° |
| C36 | N35 | C34 | N33 | 171.7° | 180.0° |
| N35 | C36 | H31 | H32 | 115.8° | 120.1° |
| C18 | C17 | H6 | H7 | 130.1° | 131.4° |
| C17 | C18 | H22 | H23 | 128.5° | 131.1° |
| C17 | C18 | C19 | H24 | 111.7° | 89.8° |
| C17 | C18 | C19 | H25 | 120.5° | 139.0° |
| C07 | C06 | C22 | C05 | 178.4° | 180.0° |
| C07 | C06 | C22 | O23 | 179.7° | 180.0° |
| C07 | C06 | C05 | O24 | 16.8° | 179.9° |
| C07 | C06 | C05 | N04 | 163.1° | 0.0° |
| C06 | C07 | C08 | H18 | 179.3° | 180.0° |
| C22 | C06 | C05 | O24 | 161.6° | 0.0° |
| C22 | C06 | C05 | N04 | 18.5° | 180.0° |
| C06 | C22 | C21 | H10 | 178.7° | 180.0° |
| C22 | C06 | C07 | H17 | 179.1° | 180.0° |
| C06 | C22 | O23 | H43 | 0.9° | 90.0° |
| O23 | C22 | C06 | C05 | 1.3° | 0.1° |
| O23 | C22 | C21 | H10 | 0.4° | 0.0° |
| C38 | C39 | C40 | H35 | 179.7° | 179.9° |
| C26 | C27 | N29 | H28 | 120.7° | 120.1° |
| C26 | C27 | N29 | H29 | 120.7° | 120.0° |
| C27 | C26 | C25 | H11 | 120.6° | 119.9° |
| C27 | C26 | C25 | H12 | 120.6° | 120.0° |
| C26 | C27 | N29 | C30 | 125.2° | 174.1° |
| C26 | C27 | N29 | C28 | 45.1° | 61.7° |
| C27 | C26 | C25 | C02 | 52.1° | 57.6° |
| C27 | C26 | H11 | H12 | 118.1° | 120.1° |
| C27 | C26 | C25 | H26 | 172.5° | 62.2° |
| C27 | C26 | C25 | H27 | 68.2° | 177.5° |
| C26 | C27 | H28 | H29 | 117.8° | 119.9° |
| N29 | C27 | C26 | C25 | 45.0° | 59.1° |
| C27 | N29 | C30 | C43 | 34.7° | 56.3° |
| C27 | N29 | C30 | C28 | 169.1° | 124.3° |
| C27 | N29 | C30 | N31 | 147.4° | 124.0° |
| C27 | N29 | C28 | C02 | 54.1° | 61.7° |
| N29 | C27 | C26 | H11 | 75.6° | 60.8° |
| N29 | C27 | C26 | H12 | 165.6° | 179.1° |
| C27 | N29 | C28 | H13 | 66.5° | 58.3° |
| C27 | N29 | C28 | H14 | 174.8° | 178.3° |
| N29 | C27 | H28 | H29 | 117.8° | 120.0° |
| C06 | C05 | O24 | N04 | 179.9° | 180.0° |
| C06 | C05 | N04 | C03 | 177.8° | 179.9° |
| C05 | C06 | C07 | H17 | 0.6° | 0.0° |
| C06 | C05 | N04 | H39 | 2.3° | 0.0° |
| N35 | C34 | C43 | N33 | 179.5° | 180.0° |
| N35 | C34 | C43 | C30 | 178.9° | 180.0° |
| N35 | C34 | N33 | C32 | 179.6° | 180.0° |
| C34 | N35 | C36 | H31 | 47.8° | 60.1° |
| C34 | N35 | C36 | H32 | 165.2° | 60.0° |
| N35 | C34 | C43 | H38 | 1.1° | 0.0° |
| C26 | C25 | C02 | H26 | 120.3° | 119.9° |
| C26 | C25 | C02 | H27 | 120.3° | 120.0° |
| C26 | C25 | C02 | C28 | 58.3° | 57.7° |
| C26 | C25 | C02 | C03 | 176.2° | 62.3° |
| C26 | C25 | C02 | O01 | 61.6° | 177.6° |
| C25 | C26 | H11 | H12 | 118.2° | 120.1° |
| C26 | C25 | H26 | H27 | 119.0° | 120.2° |
| C25 | C26 | C27 | H28 | 75.8° | 179.2° |
| C25 | C26 | C27 | H29 | 165.7° | 60.9° |
| C34 | C43 | C30 | H38 | 180.0° | 180.0° |
| C34 | C43 | C30 | N29 | 179.6° | 179.8° |
| C34 | C43 | C30 | N31 | 1.6° | 0.0° |
| C43 | C34 | N33 | C32 | 0.9° | 0.0° |
| C43 | C34 | N35 | H41 | 113.9° | 179.9° |
| C43 | C30 | N29 | N31 | 177.9° | 179.7° |
| C43 | C30 | N29 | C28 | 156.2° | 179.5° |
| C30 | C43 | C34 | N33 | 1.6° | 0.0° |
| C43 | C30 | N31 | C32 | 0.8° | 0.0° |
| C30 | N29 | C28 | C02 | 116.4° | 174.1° |
| N29 | C30 | N31 | C32 | 178.7° | 179.8° |
| C30 | N29 | C28 | H13 | 123.0° | 65.8° |
| C30 | N29 | C28 | H14 | 4.3° | 54.1° |
| C30 | N29 | C27 | H28 | 114.1° | 54.1° |
| C30 | N29 | C27 | H29 | 4.5° | 65.9° |
| N29 | C30 | C43 | H38 | 0.4° | 0.3° |
| N29 | C28 | C02 | C25 | 61.3° | 59.2° |
| C28 | N29 | C30 | N31 | 21.7° | 0.3° |
| N29 | C28 | C02 | H13 | 120.6° | 120.0° |
| N29 | C28 | C02 | H14 | 120.6° | 120.0° |
| N29 | C28 | C02 | C03 | 179.5° | 60.8° |
| N29 | C28 | C02 | O01 | 57.1° | 179.2° |
| N29 | C28 | H13 | H14 | 118.0° | 119.9° |
| C28 | N29 | C27 | H28 | 75.6° | 178.3° |
| C28 | N29 | C27 | H29 | 165.8° | 58.3° |
| O24 | C05 | N04 | C03 | 2.4° | 0.0° |
| O24 | C05 | N04 | H39 | 177.6° | 180.0° |
| C05 | N04 | C03 | H39 | 180.0° | 179.9° |
| C05 | N04 | C03 | C02 | 92.0° | 180.0° |
| C05 | N04 | C03 | H15 | 27.9° | 59.9° |
| C05 | N04 | C03 | H16 | 148.0° | 60.0° |
| C25 | C02 | C28 | C03 | 119.1° | 120.0° |
| C25 | C02 | C28 | O01 | 118.4° | 120.0° |
| C25 | C02 | C03 | N04 | 65.0° | 55.2° |
| C25 | C02 | C03 | O01 | 120.3° | 120.1° |
| C02 | C25 | C26 | H11 | 68.4° | 62.3° |
| C02 | C25 | C26 | H12 | 172.7° | 177.6° |
| C25 | C02 | C28 | H13 | 59.3° | 60.8° |
| C25 | C02 | C28 | H14 | 178.1° | 179.2° |
| C25 | C02 | C03 | H15 | 55.0° | 64.8° |
| C25 | C02 | C03 | H16 | 175.0° | 175.1° |
| C02 | C25 | H26 | H27 | 119.0° | 120.2° |
| C25 | C02 | O01 | H42 | 180.0° | 60.1° |
| C34 | N33 | C32 | N31 | 0.1° | 0.0° |
| C34 | N33 | C32 | H30 | 179.9° | 179.9° |
| N33 | C34 | C43 | H38 | 178.4° | 180.0° |
| N33 | C34 | N35 | H41 | 65.6° | 0.0° |
| C30 | N31 | C32 | N33 | 0.0° | 0.0° |
| C30 | N31 | C32 | H30 | 180.0° | 179.9° |
| N31 | C30 | C43 | H38 | 178.4° | 180.0° |
| C28 | C02 | C03 | N04 | 52.8° | 175.0° |
| C28 | C02 | C03 | O01 | 121.9° | 120.1° |
| C02 | C28 | H13 | H14 | 118.1° | 120.0° |
| C28 | C02 | C03 | H15 | 172.8° | 55.0° |
| C28 | C02 | C03 | H16 | 67.1° | 65.0° |
| C28 | C02 | C25 | H26 | 178.6° | 62.2° |
| C28 | C02 | C25 | H27 | 62.0° | 177.6° |
| C28 | C02 | O01 | H42 | 61.8° | 180.0° |
| N04 | C03 | C02 | H15 | 120.0° | 120.0° |
| N04 | C03 | C02 | H16 | 120.0° | 119.9° |
| N04 | C03 | C02 | O01 | 174.7° | 64.9° |
| N04 | C03 | H15 | H16 | 120.1° | 119.9° |
| C03 | C02 | C28 | H13 | 59.9° | 179.2° |
| C03 | C02 | C28 | H14 | 58.9° | 59.2° |
| C02 | C03 | H15 | H16 | 120.1° | 120.1° |
| C03 | C02 | C25 | H26 | 63.5° | 177.8° |
| C03 | C02 | C25 | H27 | 55.9° | 57.6° |
| C02 | C03 | N04 | H39 | 88.0° | 0.0° |
| C03 | C02 | O01 | H42 | 58.7° | 59.9° |
| O01 | C02 | C28 | H13 | 177.7° | 59.1° |
| O01 | C02 | C28 | H14 | 63.5° | 60.8° |
| O01 | C02 | C03 | H15 | 65.3° | 175.1° |
| O01 | C02 | C03 | H16 | 54.7° | 55.0° |
| O01 | C02 | C25 | H26 | 58.7° | 57.7° |
| O01 | C02 | C25 | H27 | 178.1° | 62.4° |
| N33 | C32 | N31 | H30 | 180.0° | 180.0° |
| H3 | C13 | C15 | H4 | 6.1° | 145.0° |
| H3 | C13 | C15 | H5 | 147.4° | 0.0° |
| H3 | C13 | C12 | H19 | 176.6° | 162.1° |
| H3 | C13 | C14 | H20 | 147.5° | 0.0° |
| H3 | C13 | C14 | H21 | 7.0° | 145.1° |
| H4 | C15 | C14 | H20 | 141.0° | 145.0° |
| H4 | C15 | C14 | H21 | 0.3° | 0.1° |
| H5 | C15 | C14 | H20 | 0.3° | 0.1° |
| H5 | C15 | C14 | H21 | 141.0° | 145.0° |
| H6 | C17 | C18 | H22 | 122.5° | 24.5° |
| H6 | C17 | C18 | H23 | 3.8° | 106.2° |
| H7 | C17 | C18 | H22 | 5.1° | 155.5° |
| H7 | C17 | C18 | H23 | 131.4° | 24.7° |
| H11 | C26 | C25 | H26 | 51.9° | 177.9° |
| H11 | C26 | C25 | H27 | 171.2° | 57.6° |
| H11 | C26 | C27 | H28 | 163.7° | 59.3° |
| H11 | C26 | C27 | H29 | 45.1° | 179.2° |
| H12 | C26 | C25 | H26 | 66.9° | 57.8° |
| H12 | C26 | C25 | H27 | 52.4° | 62.4° |
| H12 | C26 | C27 | H28 | 44.9° | 60.8° |
| H12 | C26 | C27 | H29 | 73.7° | 59.1° |
| H15 | C03 | N04 | H39 | 152.1° | 120.0° |
| H16 | C03 | N04 | H39 | 32.0° | 120.0° |
| H17 | C07 | C08 | H18 | 0.7° | 0.1° |
| H22 | C18 | C19 | H24 | 5.1° | 155.5° |
| H22 | C18 | C19 | H25 | 122.7° | 24.4° |
| H23 | C18 | C19 | H24 | 131.4° | 24.8° |
| H23 | C18 | C19 | H25 | 3.6° | 106.4° |
| H31 | C36 | N35 | H41 | 74.8° | 120.0° |
| H32 | C36 | N35 | H41 | 42.6° | 119.9° |
| H33 | C38 | C39 | H34 | 0.4° | 0.1° |
| H34 | C39 | C40 | H35 | 0.3° | 0.1° |
| H35 | C40 | C41 | H36 | 0.7° | 0.4° |
| H36 | C41 | C42 | H37 | 0.4° | 0.6° |
