A3I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.53Å | 1.58Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C29 | C31 | sing | 1.51Å | 1.49Å | |
| C32 | C31 | sing | 1.50Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.56Å | |
| C31 | C33 | doub | 1.28Å | 1.52Å | |
| C35 | C34 | sing | 1.55Å | 1.56Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| N36 | C27 | sing | 1.48Å | 1.51Å | |
| N36 | C02 | sing | 1.35Å | 1.50Å | |
| C27 | C34 | sing | 1.51Å | 1.58Å | |
| C27 | C25 | sing | 1.51Å | 1.53Å | |
| C34 | C12 | sing | 1.51Å | 1.55Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C02 | C03 | sing | 1.46Å | 1.51Å | |
| C25 | O26 | sing | 1.34Å | 1.41Å | |
| C25 | C03 | doub | 1.40Å | 1.47Å | |
| C12 | C11 | sing | 1.50Å | 1.55Å | |
| C03 | C04 | sing | 1.45Å | 1.57Å | |
| C11 | C09 | sing | 1.52Å | 1.52Å | |
| C11 | C13 | sing | 1.54Å | 1.53Å | |
| C04 | O24 | doub | 1.22Å | 1.19Å | |
| C04 | C05 | sing | 1.51Å | 1.56Å | |
| C09 | O10 | sing | 1.43Å | 1.40Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.49Å | |
| C05 | C07 | sing | 1.53Å | 1.62Å | |
| C05 | C18 | sing | 1.52Å | 1.55Å | |
| C07 | C08 | sing | 1.53Å | 1.44Å | |
| C07 | C15 | sing | 1.49Å | 1.65Å | |
| C19 | C18 | sing | 1.53Å | 1.58Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | doub | 1.29Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.50Å | 1.50Å | |
| C17 | C22 | sing | 1.54Å | 1.58Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C22 | O23 | sing | 1.43Å | 1.37Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.10Å | 1.10Å | |
| C12 | H23 | sing | 1.10Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H29 | sing | 1.10Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.08Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.08Å | 1.08Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| N36 | H46 | sing | 0.97Å | 1.00Å | |
| O10 | H47 | sing | 0.97Å | 0.95Å | |
| O23 | H48 | sing | 0.97Å | 0.95Å | |
| O26 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 109.0° | 110.0° |
| C30 | C29 | C31 | 107.6° | 109.7° |
| C30 | C29 | H33 | 107.8° | 110.3° |
| C29 | C30 | H34 | 109.5° | 109.5° |
| C29 | C30 | H35 | 109.5° | 109.5° |
| C29 | C30 | H36 | 109.5° | 109.5° |
| C28 | C29 | C31 | 115.1° | 105.3° |
| C29 | C28 | C27 | 106.7° | 110.1° |
| C29 | C28 | H11 | 110.1° | 109.2° |
| C29 | C28 | H12 | 110.2° | 109.8° |
| C28 | C29 | H33 | 108.2° | 110.9° |
| C29 | C31 | C32 | 118.0° | 120.0° |
| C29 | C31 | C33 | 121.9° | 119.7° |
| C31 | C29 | H33 | 108.9° | 110.6° |
| C32 | C31 | C33 | 118.5° | 120.3° |
| C31 | C32 | H38 | 109.5° | 109.5° |
| C31 | C32 | H39 | 109.5° | 109.5° |
| C31 | C32 | H40 | 109.5° | 109.5° |
| C28 | C27 | N36 | 81.2° | 108.3° |
| C28 | C27 | C34 | 107.1° | 114.1° |
| C28 | C27 | C25 | 121.0° | 106.0° |
| C27 | C28 | H11 | 110.2° | 109.1° |
| C27 | C28 | H12 | 110.2° | 109.6° |
| C31 | C33 | C34 | 117.6° | 127.2° |
| C31 | C33 | H41 | 121.2° | 117.3° |
| C35 | C34 | C33 | 108.4° | 102.1° |
| C35 | C34 | C27 | 108.2° | 108.9° |
| C35 | C34 | C12 | 104.2° | 108.7° |
| C34 | C35 | H43 | 109.5° | 109.5° |
| C34 | C35 | H44 | 109.5° | 109.5° |
| C34 | C35 | H45 | 109.4° | 109.5° |
| C33 | C34 | C27 | 104.8° | 111.4° |
| C33 | C34 | C12 | 112.7° | 106.9° |
| C34 | C33 | H41 | 121.2° | 115.4° |
| C27 | N36 | C02 | 106.7° | 108.1° |
| N36 | C27 | C34 | 109.3° | 109.2° |
| N36 | C27 | C25 | 107.5° | 103.4° |
| C27 | N36 | H46 | 126.6° | 125.9° |
| N36 | C02 | O01 | 124.3° | 122.9° |
| N36 | C02 | C03 | 108.6° | 110.0° |
| C02 | N36 | H46 | 126.6° | 125.9° |
| C34 | C27 | C25 | 122.5° | 115.1° |
| C27 | C34 | C12 | 118.2° | 117.7° |
| C27 | C25 | O26 | 126.7° | 126.4° |
| C27 | C25 | C03 | 107.3° | 107.1° |
| C34 | C12 | C11 | 122.8° | 122.7° |
| C34 | C12 | H22 | 106.0° | 106.9° |
| C34 | C12 | H23 | 106.0° | 107.2° |
| O01 | C02 | C03 | 127.1° | 127.0° |
| C02 | C03 | C25 | 108.0° | 107.4° |
| C02 | C03 | C04 | 132.7° | 131.5° |
| O26 | C25 | C03 | 125.9° | 126.5° |
| C25 | O26 | H49 | 109.5° | 117.0° |
| C25 | C03 | C04 | 117.6° | 121.0° |
| C12 | C11 | C09 | 108.4° | 117.6° |
| C12 | C11 | C13 | 108.4° | 107.6° |
| C12 | C11 | H21 | 110.2° | 109.8° |
| C11 | C12 | H22 | 106.0° | 106.9° |
| C11 | C12 | H23 | 106.1° | 107.5° |
| C03 | C04 | O24 | 115.6° | 118.0° |
| C03 | C04 | C05 | 125.2° | 123.5° |
| C09 | C11 | C13 | 108.9° | 107.3° |
| C11 | C09 | O10 | 108.9° | 109.6° |
| C11 | C09 | C08 | 111.0° | 109.1° |
| C11 | C09 | H20 | 108.7° | 111.1° |
| C09 | C11 | H21 | 110.5° | 108.0° |
| C11 | C13 | C14 | 113.1° | 109.5° |
| C11 | C13 | H1 | 108.6° | 109.5° |
| C11 | C13 | H2 | 108.6° | 109.5° |
| C13 | C11 | H21 | 110.4° | 105.9° |
| O24 | C04 | C05 | 119.1° | 118.5° |
| C04 | C05 | C06 | 111.6° | 109.8° |
| C04 | C05 | C07 | 106.5° | 107.3° |
| C04 | C05 | C18 | 107.1° | 110.0° |
| O10 | C09 | C08 | 109.4° | 108.9° |
| O10 | C09 | H20 | 110.5° | 109.7° |
| C09 | O10 | H47 | 109.5° | 114.0° |
| C09 | C08 | C07 | 113.4° | 110.5° |
| C09 | C08 | H18 | 108.5° | 109.0° |
| C09 | C08 | H19 | 108.5° | 109.8° |
| C08 | C09 | H20 | 108.3° | 108.4° |
| C14 | C13 | H1 | 108.6° | 109.4° |
| C14 | C13 | H2 | 108.6° | 109.4° |
| C13 | C14 | H24 | 109.5° | 109.5° |
| C13 | C14 | H25 | 109.4° | 109.5° |
| C13 | C14 | H26 | 109.5° | 109.4° |
| C06 | C05 | C07 | 110.3° | 110.1° |
| C06 | C05 | C18 | 108.2° | 110.0° |
| C05 | C06 | H14 | 109.5° | 109.5° |
| C05 | C06 | H15 | 109.5° | 109.5° |
| C05 | C06 | H16 | 109.5° | 109.4° |
| C07 | C05 | C18 | 113.1° | 109.7° |
| C05 | C07 | C08 | 109.4° | 109.4° |
| C05 | C07 | C15 | 111.3° | 112.6° |
| C05 | C07 | H17 | 108.6° | 108.7° |
| C05 | C18 | C19 | 110.9° | 112.2° |
| C05 | C18 | C17 | 116.3° | 111.4° |
| C05 | C18 | H29 | 107.2° | 109.1° |
| C08 | C07 | C15 | 108.3° | 108.1° |
| C08 | C07 | H17 | 111.0° | 109.0° |
| C07 | C08 | H18 | 108.5° | 109.2° |
| C07 | C08 | H19 | 108.5° | 109.9° |
| C07 | C15 | C16 | 117.2° | 125.7° |
| C07 | C15 | H3 | 121.4° | 117.0° |
| C15 | C07 | H17 | 108.2° | 109.0° |
| C18 | C19 | C20 | 108.9° | 108.7° |
| C19 | C18 | C17 | 107.5° | 107.2° |
| C19 | C18 | H29 | 106.9° | 108.1° |
| C18 | C19 | H30 | 109.6° | 110.6° |
| C18 | C19 | H31 | 109.6° | 109.8° |
| C19 | C20 | C21 | 111.9° | 110.2° |
| C19 | C20 | H6 | 108.8° | 109.3° |
| C19 | C20 | H7 | 108.9° | 109.1° |
| C20 | C19 | H30 | 109.6° | 109.6° |
| C20 | C19 | H31 | 109.6° | 108.5° |
| C18 | C17 | C16 | 115.0° | 110.6° |
| C18 | C17 | C22 | 109.3° | 108.1° |
| C18 | C17 | H5 | 107.9° | 110.4° |
| C17 | C18 | H29 | 107.5° | 108.8° |
| C15 | C16 | C17 | 119.0° | 122.3° |
| C16 | C15 | H3 | 121.4° | 117.2° |
| C15 | C16 | H27 | 120.5° | 118.7° |
| C20 | C21 | C22 | 114.9° | 110.1° |
| C21 | C20 | H6 | 108.9° | 109.6° |
| C21 | C20 | H7 | 108.8° | 109.2° |
| C20 | C21 | H8 | 108.1° | 109.5° |
| C20 | C21 | H9 | 108.1° | 109.3° |
| C16 | C17 | C22 | 108.9° | 110.6° |
| C16 | C17 | H5 | 108.2° | 109.7° |
| C17 | C16 | H27 | 120.5° | 119.0° |
| C17 | C22 | C21 | 113.9° | 108.4° |
| C17 | C22 | O23 | 108.6° | 109.6° |
| C22 | C17 | H5 | 107.2° | 107.3° |
| C17 | C22 | H10 | 107.7° | 109.7° |
| C21 | C22 | O23 | 108.4° | 109.6° |
| C22 | C21 | H8 | 108.1° | 109.5° |
| C22 | C21 | H9 | 108.1° | 109.3° |
| C21 | C22 | H10 | 107.8° | 109.8° |
| O23 | C22 | H10 | 110.4° | 109.6° |
| C22 | O23 | H48 | 109.5° | 114.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.1° |
| H11 | C28 | H12 | 109.5° | 109.0° |
| H14 | C06 | H15 | 109.5° | 109.5° |
| H14 | C06 | H16 | 109.5° | 109.5° |
| H15 | C06 | H16 | 109.5° | 109.4° |
| H18 | C08 | H19 | 109.4° | 108.5° |
| H22 | C12 | H23 | 109.5° | 104.1° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H24 | C14 | H26 | 109.4° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.4° |
| H30 | C19 | H31 | 109.5° | 109.6° |
| H34 | C30 | H35 | 109.5° | 109.4° |
| H34 | C30 | H36 | 109.4° | 109.4° |
| H35 | C30 | H36 | 109.5° | 109.4° |
| H38 | C32 | H39 | 109.5° | 109.5° |
| H38 | C32 | H40 | 109.5° | 109.4° |
| H39 | C32 | H40 | 109.4° | 109.5° |
| H43 | C35 | H44 | 109.4° | 109.4° |
| H43 | C35 | H45 | 109.5° | 109.5° |
| H44 | C35 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | C31 | 121.0° | 118.1° |
| C30 | C29 | C28 | H33 | 116.9° | 122.3° |
| C30 | C29 | C31 | H33 | 116.6° | 121.8° |
| C30 | C29 | C31 | C32 | 58.6° | 25.3° |
| C30 | C29 | C28 | C27 | 92.8° | 178.8° |
| C30 | C29 | C31 | C33 | 136.1° | 155.6° |
| C30 | C29 | C28 | H11 | 147.6° | 61.4° |
| C30 | C29 | C28 | H12 | 26.8° | 58.0° |
| C29 | C30 | H34 | H35 | 120.0° | 120.1° |
| C29 | C30 | H34 | H36 | 120.0° | 120.0° |
| C29 | C30 | H35 | H36 | 120.0° | 120.0° |
| C28 | C29 | C31 | H33 | 121.6° | 119.8° |
| C28 | C29 | C31 | C32 | 179.6° | 143.6° |
| C29 | C28 | C27 | H11 | 119.5° | 119.8° |
| C29 | C28 | C27 | H12 | 119.6° | 120.9° |
| C28 | C29 | C31 | C33 | 14.3° | 37.3° |
| C29 | C28 | C27 | N36 | 179.9° | 69.7° |
| C29 | C28 | C27 | C34 | 72.3° | 52.3° |
| C29 | C28 | C27 | C25 | 75.0° | 180.0° |
| C29 | C28 | H11 | H12 | 121.3° | 119.9° |
| C28 | C29 | C30 | H34 | 180.0° | 60.0° |
| C28 | C29 | C30 | H35 | 60.0° | 180.0° |
| C28 | C29 | C30 | H36 | 60.0° | 60.0° |
| C29 | C31 | C32 | C33 | 165.8° | 179.1° |
| C31 | C29 | C28 | C27 | 28.3° | 63.1° |
| C29 | C31 | C33 | C34 | 15.4° | 2.9° |
| C31 | C29 | C28 | H11 | 91.3° | 56.7° |
| C31 | C29 | C28 | H12 | 147.8° | 176.2° |
| C31 | C29 | C30 | H34 | 54.5° | 175.3° |
| C31 | C29 | C30 | H35 | 65.5° | 64.6° |
| C31 | C29 | C30 | H36 | 174.5° | 55.3° |
| C29 | C31 | C32 | H38 | 180.0° | 90.0° |
| C29 | C31 | C32 | H39 | 60.0° | 150.0° |
| C29 | C31 | C32 | H40 | 60.0° | 30.0° |
| C29 | C31 | C33 | H41 | 164.6° | 176.1° |
| C32 | C31 | C33 | C34 | 179.3° | 176.3° |
| C32 | C31 | C29 | H33 | 58.0° | 96.6° |
| C31 | C32 | H38 | H39 | 120.0° | 120.0° |
| C31 | C32 | H38 | H40 | 120.0° | 120.0° |
| C31 | C32 | H39 | H40 | 120.0° | 120.0° |
| C32 | C31 | C33 | H41 | 0.7° | 4.7° |
| C28 | C27 | C34 | C35 | 45.5° | 124.0° |
| C28 | C27 | C34 | C33 | 70.0° | 12.2° |
| C28 | C27 | N36 | C34 | 105.2° | 124.9° |
| C28 | C27 | N36 | C25 | 119.9° | 112.2° |
| C28 | C27 | N36 | C02 | 129.4° | 132.4° |
| C28 | C27 | C34 | C25 | 146.6° | 122.9° |
| C28 | C27 | C34 | C12 | 163.5° | 111.8° |
| C28 | C27 | C25 | O26 | 78.7° | 50.9° |
| C28 | C27 | C25 | C03 | 104.3° | 129.6° |
| C27 | C28 | H11 | H12 | 121.3° | 119.6° |
| C27 | C28 | C29 | H33 | 150.3° | 56.6° |
| C28 | C27 | N36 | H46 | 50.6° | 46.2° |
| C31 | C33 | C34 | C35 | 89.5° | 99.2° |
| C31 | C33 | C34 | H41 | 180.0° | 179.0° |
| C31 | C33 | C34 | C27 | 25.9° | 16.9° |
| C31 | C33 | C34 | C12 | 155.7° | 146.7° |
| C33 | C31 | C29 | H33 | 107.4° | 82.6° |
| C33 | C31 | C32 | H38 | 14.2° | 89.2° |
| C33 | C31 | C32 | H39 | 134.2° | 30.9° |
| C33 | C31 | C32 | H40 | 105.9° | 150.9° |
| C35 | C34 | C33 | C27 | 115.3° | 116.1° |
| C35 | C34 | C33 | C12 | 114.8° | 114.1° |
| C35 | C34 | C27 | N36 | 41.0° | 2.6° |
| C35 | C34 | C27 | C12 | 118.0° | 124.2° |
| C35 | C34 | C27 | C25 | 167.8° | 113.0° |
| C35 | C34 | C12 | C11 | 157.3° | 76.9° |
| C35 | C34 | C12 | H22 | 80.9° | 47.0° |
| C35 | C34 | C12 | H23 | 35.4° | 158.2° |
| C35 | C34 | C33 | H41 | 90.5° | 81.8° |
| C34 | C35 | H43 | H44 | 120.0° | 120.0° |
| C34 | C35 | H43 | H45 | 120.0° | 120.0° |
| C34 | C35 | H44 | H45 | 120.0° | 120.0° |
| C33 | C34 | C27 | N36 | 156.5° | 109.2° |
| C33 | C34 | C27 | C12 | 126.5° | 124.0° |
| C33 | C34 | C27 | C25 | 76.7° | 135.1° |
| C33 | C34 | C12 | C11 | 85.4° | 173.6° |
| C33 | C34 | C12 | H22 | 36.4° | 62.6° |
| C33 | C34 | C12 | H23 | 152.7° | 48.6° |
| C33 | C34 | C35 | H43 | 180.0° | 171.8° |
| C33 | C34 | C35 | H44 | 60.0° | 68.3° |
| C33 | C34 | C35 | H45 | 60.0° | 51.8° |
| C27 | N36 | C02 | H46 | 180.0° | 178.6° |
| N36 | C27 | C34 | C25 | 126.9° | 115.7° |
| N36 | C27 | C34 | C12 | 77.0° | 126.8° |
| C27 | N36 | C02 | O01 | 179.8° | 164.5° |
| C27 | N36 | C02 | C03 | 1.6° | 17.3° |
| N36 | C27 | C25 | O26 | 168.9° | 164.7° |
| N36 | C27 | C25 | C03 | 14.1° | 15.8° |
| N36 | C27 | C28 | H11 | 60.3° | 170.5° |
| N36 | C27 | C28 | H12 | 60.6° | 51.2° |
| C02 | N36 | C27 | C34 | 125.5° | 102.8° |
| C02 | N36 | C27 | C25 | 9.5° | 20.2° |
| N36 | C02 | O01 | C03 | 178.4° | 177.9° |
| N36 | C02 | C03 | C25 | 7.3° | 6.9° |
| N36 | C02 | C03 | C04 | 156.6° | 174.3° |
| C34 | C27 | C25 | O26 | 63.5° | 76.3° |
| C34 | C27 | C25 | C03 | 113.6° | 103.2° |
| C27 | C34 | C12 | C11 | 37.2° | 47.4° |
| C34 | C27 | C28 | H11 | 47.3° | 67.6° |
| C34 | C27 | C28 | H12 | 168.2° | 173.1° |
| C27 | C34 | C12 | H22 | 159.0° | 171.3° |
| C27 | C34 | C12 | H23 | 84.7° | 77.5° |
| C27 | C34 | C33 | H41 | 154.1° | 162.2° |
| C27 | C34 | C35 | H43 | 66.9° | 53.9° |
| C27 | C34 | C35 | H44 | 173.1° | 173.9° |
| C27 | C34 | C35 | H45 | 53.1° | 66.1° |
| C34 | C27 | N36 | H46 | 54.5° | 78.7° |
| C25 | C27 | C34 | C12 | 49.9° | 11.1° |
| C27 | C25 | C03 | C02 | 13.1° | 6.2° |
| C27 | C25 | O26 | C03 | 176.5° | 179.4° |
| C27 | C25 | C03 | C04 | 153.6° | 172.7° |
| C25 | C27 | C28 | H11 | 165.5° | 60.1° |
| C25 | C27 | C28 | H12 | 44.6° | 59.2° |
| C25 | C27 | N36 | H46 | 170.5° | 158.4° |
| C27 | C25 | O26 | H49 | 164.3° | 179.4° |
| C34 | C12 | C11 | H22 | 121.8° | 123.8° |
| C34 | C12 | C11 | H23 | 121.8° | 124.9° |
| C34 | C12 | C11 | C09 | 111.7° | 46.8° |
| C34 | C12 | C11 | C13 | 130.2° | 168.0° |
| C34 | C12 | C11 | H21 | 9.3° | 77.2° |
| C34 | C12 | H22 | H23 | 114.0° | 113.3° |
| C12 | C34 | C33 | H41 | 24.3° | 32.3° |
| C12 | C34 | C35 | H43 | 59.7° | 75.4° |
| C12 | C34 | C35 | H44 | 60.3° | 44.5° |
| C12 | C34 | C35 | H45 | 179.7° | 164.5° |
| O01 | C02 | C03 | C25 | 171.3° | 175.0° |
| O01 | C02 | C03 | C04 | 24.8° | 3.8° |
| O01 | C02 | N36 | H46 | 0.2° | 17.0° |
| C02 | C03 | C25 | O26 | 169.9° | 174.3° |
| C02 | C03 | C25 | C04 | 166.7° | 178.9° |
| C02 | C03 | C04 | O24 | 175.9° | 156.7° |
| C02 | C03 | C04 | C05 | 6.8° | 26.2° |
| C03 | C02 | N36 | H46 | 178.5° | 161.2° |
| O26 | C25 | C03 | C04 | 23.4° | 6.8° |
| C25 | C03 | C04 | O24 | 21.4° | 24.7° |
| C25 | C03 | C04 | C05 | 155.9° | 152.5° |
| C03 | C25 | O26 | H49 | 12.2° | 0.0° |
| C12 | C11 | C09 | C13 | 117.8° | 121.4° |
| C12 | C11 | C09 | H21 | 120.8° | 124.9° |
| C12 | C11 | C13 | H21 | 120.8° | 117.4° |
| C12 | C11 | C09 | O10 | 81.9° | 79.9° |
| C12 | C11 | C09 | C08 | 157.6° | 160.9° |
| C12 | C11 | C13 | C14 | 91.4° | 58.5° |
| C12 | C11 | C13 | H1 | 29.1° | 61.5° |
| C12 | C11 | C13 | H2 | 148.1° | 178.5° |
| C12 | C11 | C09 | H20 | 38.6° | 41.5° |
| C11 | C12 | H22 | H23 | 114.0° | 113.6° |
| C03 | C04 | O24 | C05 | 177.5° | 177.3° |
| C03 | C04 | C05 | C06 | 56.9° | 66.4° |
| C03 | C04 | C05 | C07 | 63.5° | 53.2° |
| C03 | C04 | C05 | C18 | 175.2° | 172.4° |
| C09 | C11 | C13 | H21 | 121.5° | 115.2° |
| C11 | C09 | O10 | C08 | 121.5° | 119.3° |
| C11 | C09 | O10 | H20 | 119.3° | 122.2° |
| C11 | C09 | C08 | H20 | 119.3° | 121.1° |
| C09 | C11 | C13 | C14 | 150.9° | 174.0° |
| C11 | C09 | C08 | C07 | 140.1° | 145.1° |
| C09 | C11 | C13 | H1 | 88.6° | 66.0° |
| C09 | C11 | C13 | H2 | 30.3° | 54.0° |
| C11 | C09 | C08 | H18 | 19.5° | 94.9° |
| C11 | C09 | C08 | H19 | 99.3° | 23.8° |
| C09 | C11 | C12 | H22 | 126.5° | 77.0° |
| C09 | C11 | C12 | H23 | 10.2° | 171.6° |
| C11 | C09 | O10 | H47 | 180.0° | 179.2° |
| C13 | C11 | C09 | O10 | 35.9° | 41.5° |
| C13 | C11 | C09 | C08 | 84.6° | 77.7° |
| C11 | C13 | C14 | H1 | 120.6° | 120.0° |
| C11 | C13 | C14 | H2 | 120.5° | 120.0° |
| C11 | C13 | H1 | H2 | 118.3° | 120.0° |
| C13 | C11 | C09 | H20 | 156.3° | 162.9° |
| C13 | C11 | C12 | H22 | 8.4° | 44.2° |
| C13 | C11 | C12 | H23 | 107.9° | 67.2° |
| C11 | C13 | C14 | H24 | 180.0° | 173.7° |
| C11 | C13 | C14 | H25 | 60.0° | 53.7° |
| C11 | C13 | C14 | H26 | 60.0° | 66.2° |
| O24 | C04 | C05 | C06 | 125.8° | 116.4° |
| O24 | C04 | C05 | C07 | 113.8° | 124.0° |
| O24 | C04 | C05 | C18 | 7.5° | 4.7° |
| C04 | C05 | C06 | C07 | 118.1° | 117.9° |
| C04 | C05 | C06 | C18 | 117.6° | 121.1° |
| C04 | C05 | C07 | C18 | 117.4° | 119.4° |
| C04 | C05 | C07 | C08 | 38.8° | 39.0° |
| C04 | C05 | C07 | C15 | 158.4° | 159.2° |
| C04 | C05 | C18 | C19 | 69.6° | 61.9° |
| C04 | C05 | C18 | C17 | 167.0° | 177.9° |
| C04 | C05 | C06 | H14 | 180.0° | 64.3° |
| C04 | C05 | C06 | H15 | 60.0° | 175.7° |
| C04 | C05 | C06 | H16 | 60.0° | 55.7° |
| C04 | C05 | C07 | H17 | 82.6° | 79.9° |
| C04 | C05 | C18 | H29 | 46.7° | 57.8° |
| O10 | C09 | C08 | H20 | 120.5° | 119.3° |
| O10 | C09 | C08 | C07 | 99.7° | 95.3° |
| O10 | C09 | C08 | H18 | 139.7° | 24.7° |
| O10 | C09 | C08 | H19 | 20.9° | 143.4° |
| O10 | C09 | C11 | H21 | 157.3° | 155.3° |
| C09 | C08 | C07 | C05 | 120.6° | 113.2° |
| C09 | C08 | C07 | H18 | 120.6° | 119.9° |
| C09 | C08 | C07 | H19 | 120.6° | 121.3° |
| C09 | C08 | C07 | C15 | 117.9° | 123.9° |
| C09 | C08 | C07 | H17 | 0.8° | 5.5° |
| C09 | C08 | H18 | H19 | 118.2° | 119.5° |
| C08 | C09 | C11 | H21 | 36.8° | 36.1° |
| C08 | C09 | O10 | H47 | 58.5° | 60.0° |
| C14 | C13 | H1 | H2 | 118.3° | 119.9° |
| C14 | C13 | C11 | H21 | 29.4° | 58.8° |
| C13 | C14 | H24 | H25 | 120.0° | 120.0° |
| C13 | C14 | H24 | H26 | 120.0° | 120.0° |
| C13 | C14 | H25 | H26 | 120.0° | 119.9° |
| C06 | C05 | C07 | C18 | 121.4° | 121.2° |
| C06 | C05 | C07 | C08 | 160.0° | 158.4° |
| C06 | C05 | C07 | C15 | 80.4° | 81.4° |
| C06 | C05 | C18 | C19 | 50.8° | 59.1° |
| C06 | C05 | C18 | C17 | 72.5° | 61.1° |
| C05 | C06 | H14 | H15 | 120.0° | 120.0° |
| C05 | C06 | H14 | H16 | 120.0° | 120.0° |
| C05 | C06 | H15 | H16 | 120.0° | 119.9° |
| C06 | C05 | C07 | H17 | 38.7° | 39.5° |
| C06 | C05 | C18 | H29 | 167.2° | 178.8° |
| C05 | C07 | C08 | C15 | 121.5° | 122.9° |
| C05 | C07 | C08 | H17 | 119.8° | 118.8° |
| C05 | C07 | C15 | H17 | 119.2° | 120.7° |
| C07 | C05 | C18 | C19 | 173.4° | 179.7° |
| C07 | C05 | C18 | C17 | 50.1° | 60.2° |
| C05 | C07 | C15 | C16 | 33.4° | 11.8° |
| C05 | C07 | C15 | H3 | 146.6° | 169.4° |
| C07 | C05 | C06 | H14 | 61.9° | 177.8° |
| C07 | C05 | C06 | H15 | 58.2° | 57.8° |
| C07 | C05 | C06 | H16 | 178.1° | 62.1° |
| C05 | C07 | C08 | H18 | 0.0° | 126.9° |
| C05 | C07 | C08 | H19 | 118.8° | 8.1° |
| C07 | C05 | C18 | H29 | 70.2° | 59.9° |
| C18 | C05 | C07 | C08 | 78.6° | 80.4° |
| C18 | C05 | C07 | C15 | 41.0° | 39.8° |
| C05 | C18 | C19 | C17 | 128.3° | 122.6° |
| C05 | C18 | C19 | H29 | 116.6° | 120.3° |
| C05 | C18 | C19 | C20 | 163.8° | 173.9° |
| C05 | C18 | C17 | H29 | 120.1° | 120.3° |
| C05 | C18 | C17 | C16 | 48.1° | 49.8° |
| C05 | C18 | C17 | C22 | 170.9° | 171.0° |
| C05 | C18 | C17 | H5 | 72.8° | 71.9° |
| C18 | C05 | C06 | H14 | 62.4° | 56.8° |
| C18 | C05 | C06 | H15 | 177.6° | 63.2° |
| C18 | C05 | C06 | H16 | 57.6° | 176.9° |
| C18 | C05 | C07 | H17 | 160.0° | 160.6° |
| C05 | C18 | C19 | H30 | 76.2° | 53.5° |
| C05 | C18 | C19 | H31 | 43.9° | 67.6° |
| C08 | C07 | C15 | H17 | 120.5° | 118.4° |
| C08 | C07 | C15 | C16 | 86.9° | 109.1° |
| C08 | C07 | C15 | H3 | 93.1° | 69.7° |
| C07 | C08 | H18 | H19 | 118.2° | 119.7° |
| C07 | C08 | C09 | H20 | 20.8° | 24.0° |
| C07 | C15 | C16 | H3 | 180.0° | 178.8° |
| C07 | C15 | C16 | C17 | 33.2° | 1.9° |
| C15 | C07 | C08 | H18 | 121.5° | 4.0° |
| C15 | C07 | C08 | H19 | 2.7° | 114.9° |
| C07 | C15 | C16 | H27 | 146.8° | 178.3° |
| C18 | C19 | C20 | H30 | 119.9° | 121.0° |
| C18 | C19 | C20 | H31 | 119.9° | 119.3° |
| C19 | C18 | C17 | H29 | 114.8° | 116.7° |
| C18 | C19 | C20 | C21 | 56.7° | 59.6° |
| C19 | C18 | C17 | C16 | 173.1° | 172.8° |
| C19 | C18 | C17 | C22 | 64.0° | 66.0° |
| C19 | C18 | C17 | H5 | 52.3° | 51.2° |
| C18 | C19 | C20 | H6 | 177.1° | 61.0° |
| C18 | C19 | C20 | H7 | 63.6° | 179.5° |
| C18 | C19 | H30 | H31 | 120.2° | 121.1° |
| C20 | C19 | C18 | C17 | 67.9° | 63.6° |
| C19 | C20 | C21 | H6 | 120.3° | 120.4° |
| C19 | C20 | C21 | H7 | 120.4° | 119.8° |
| C19 | C20 | C21 | C22 | 43.8° | 57.4° |
| C19 | C20 | H6 | H7 | 118.9° | 119.3° |
| C19 | C20 | C21 | H8 | 77.0° | 63.1° |
| C19 | C20 | C21 | H9 | 164.6° | 177.5° |
| C20 | C19 | C18 | H29 | 47.3° | 53.6° |
| C20 | C19 | H30 | H31 | 120.2° | 119.0° |
| C18 | C17 | C16 | C15 | 39.1° | 20.8° |
| C18 | C17 | C16 | C22 | 123.1° | 119.7° |
| C18 | C17 | C16 | H5 | 120.7° | 122.0° |
| C18 | C17 | C22 | H5 | 116.7° | 119.1° |
| C18 | C17 | C22 | C21 | 51.2° | 63.6° |
| C18 | C17 | C22 | O23 | 172.0° | 176.7° |
| C18 | C17 | C22 | H10 | 68.4° | 56.3° |
| C18 | C17 | C16 | H27 | 140.9° | 159.4° |
| C17 | C18 | C19 | H30 | 52.0° | 176.0° |
| C17 | C18 | C19 | H31 | 172.2° | 55.0° |
| C15 | C16 | C17 | H27 | 180.0° | 179.8° |
| C15 | C16 | C17 | C22 | 162.2° | 140.5° |
| C15 | C16 | C17 | H5 | 81.6° | 101.2° |
| C16 | C15 | C07 | H17 | 152.6° | 132.5° |
| C20 | C21 | C22 | C17 | 40.9° | 59.0° |
| C20 | C21 | C22 | H8 | 120.8° | 120.5° |
| C20 | C21 | C22 | H9 | 120.8° | 120.1° |
| C20 | C21 | C22 | O23 | 161.8° | 178.6° |
| C21 | C20 | H6 | H7 | 118.9° | 119.8° |
| C20 | C21 | H8 | H9 | 117.5° | 119.6° |
| C20 | C21 | C22 | H10 | 78.6° | 60.8° |
| C21 | C20 | C19 | H30 | 63.2° | 179.4° |
| C21 | C20 | C19 | H31 | 176.7° | 59.8° |
| C16 | C17 | C22 | H5 | 116.9° | 119.7° |
| C16 | C17 | C22 | C21 | 177.6° | 175.1° |
| C16 | C17 | C22 | O23 | 61.6° | 55.5° |
| C17 | C16 | C15 | H3 | 146.8° | 179.2° |
| C16 | C17 | C22 | H10 | 58.0° | 64.9° |
| C16 | C17 | C18 | H29 | 72.1° | 70.5° |
| C17 | C22 | C21 | O23 | 121.0° | 119.6° |
| C17 | C22 | C21 | H10 | 119.5° | 119.9° |
| C17 | C22 | O23 | H10 | 117.9° | 120.5° |
| C17 | C22 | C21 | H8 | 79.9° | 61.4° |
| C17 | C22 | C21 | H9 | 161.7° | 179.1° |
| C22 | C17 | C16 | H27 | 17.8° | 39.7° |
| C22 | C17 | C18 | H29 | 50.8° | 50.7° |
| C17 | C22 | O23 | H48 | 180.0° | 180.0° |
| C21 | C22 | O23 | H10 | 117.9° | 120.7° |
| C21 | C22 | C17 | H5 | 65.5° | 55.5° |
| C22 | C21 | C20 | H6 | 164.1° | 63.0° |
| C22 | C21 | C20 | H7 | 76.6° | 177.2° |
| C22 | C21 | H8 | H9 | 117.5° | 119.6° |
| C21 | C22 | O23 | H48 | 55.8° | 61.1° |
| O23 | C22 | C17 | H5 | 55.3° | 64.2° |
| O23 | C22 | C21 | H8 | 41.0° | 58.2° |
| O23 | C22 | C21 | H9 | 77.4° | 61.2° |
| H1 | C13 | C11 | H21 | 149.9° | 178.8° |
| H1 | C13 | C14 | H24 | 59.4° | 66.2° |
| H1 | C13 | C14 | H25 | 179.4° | 173.8° |
| H1 | C13 | C14 | H26 | 60.5° | 53.8° |
| H2 | C13 | C11 | H21 | 91.2° | 61.2° |
| H2 | C13 | C14 | H24 | 59.5° | 53.7° |
| H2 | C13 | C14 | H25 | 60.5° | 66.3° |
| H2 | C13 | C14 | H26 | 179.4° | 173.8° |
| H3 | C15 | C07 | H17 | 27.4° | 48.7° |
| H3 | C15 | C16 | H27 | 33.2° | 0.6° |
| H5 | C17 | C22 | H10 | 174.9° | 175.4° |
| H5 | C17 | C16 | H27 | 98.4° | 78.6° |
| H5 | C17 | C18 | H29 | 167.1° | 167.9° |
| H6 | C20 | C21 | H8 | 43.4° | 176.6° |
| H6 | C20 | C21 | H9 | 75.0° | 57.1° |
| H6 | C20 | C19 | H30 | 57.2° | 60.0° |
| H6 | C20 | C19 | H31 | 63.0° | 179.7° |
| H7 | C20 | C21 | H8 | 162.6° | 56.7° |
| H7 | C20 | C21 | H9 | 44.2° | 62.7° |
| H7 | C20 | C19 | H30 | 176.5° | 59.5° |
| H7 | C20 | C19 | H31 | 56.3° | 60.1° |
| H8 | C21 | C22 | H10 | 160.6° | 178.7° |
| H9 | C21 | C22 | H10 | 42.2° | 59.3° |
| H10 | C22 | O23 | H48 | 62.1° | 59.6° |
| H11 | C28 | C29 | H33 | 30.7° | 176.3° |
| H12 | C28 | C29 | H33 | 90.1° | 64.2° |
| H14 | C06 | H15 | H16 | 120.0° | 120.1° |
| H17 | C07 | C08 | H18 | 119.8° | 114.3° |
| H17 | C07 | C08 | H19 | 121.4° | 126.8° |
| H18 | C08 | C09 | H20 | 99.8° | 144.0° |
| H19 | C08 | C09 | H20 | 141.4° | 97.3° |
| H20 | C09 | C11 | H21 | 82.2° | 83.4° |
| H20 | C09 | O10 | H47 | 60.7° | 58.5° |
| H21 | C11 | C12 | H22 | 112.5° | 159.0° |
| H21 | C11 | C12 | H23 | 131.2° | 47.6° |
| H24 | C14 | H25 | H26 | 120.0° | 120.1° |
| H29 | C18 | C19 | H30 | 167.2° | 66.9° |
| H29 | C18 | C19 | H31 | 72.6° | 172.1° |
| H33 | C29 | C30 | H34 | 62.8° | 62.6° |
| H33 | C29 | C30 | H35 | 177.2° | 57.4° |
| H33 | C29 | C30 | H36 | 57.2° | 177.4° |
| H34 | C30 | H35 | H36 | 119.9° | 119.9° |
| H38 | C32 | H39 | H40 | 120.0° | 120.0° |
| H43 | C35 | H44 | H45 | 120.0° | 120.0° |
