A1AT1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C02 | sing | 1.51Å | 1.52Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.31Å | 1.36Å | |
| C03 | C04 | sing | 1.51Å | 1.59Å | |
| C04 | C05 | sing | 1.53Å | 1.60Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C31 | C14 | sing | 1.51Å | 1.45Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | doub | 1.31Å | 1.28Å | |
| C14 | C15 | doub | 1.31Å | 1.32Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.51Å | 1.55Å | |
| C07 | C06 | doub | 1.31Å | 1.33Å | |
| C05 | C06 | sing | 1.51Å | 1.59Å | |
| C10 | C32 | sing | 1.51Å | 1.48Å | |
| C15 | C16 | sing | 1.51Å | 1.57Å | |
| C06 | C33 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.60Å | |
| O19 | C18 | doub | 1.21Å | 1.15Å | |
| C17 | O29 | sing | 1.43Å | 1.45Å | |
| C17 | C18 | sing | 1.52Å | 1.46Å | |
| C17 | C28 | sing | 1.54Å | 1.49Å | |
| O29 | C28 | sing | 1.43Å | 1.41Å | |
| C18 | C20 | sing | 1.48Å | 1.52Å | |
| C30 | C28 | sing | 1.53Å | 1.55Å | |
| C28 | C26 | sing | 1.54Å | 1.53Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C25 | sing | 1.42Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.52Å | |
| C26 | O27 | doub | 1.21Å | 1.20Å | |
| C25 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.34Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C02 | C01 | 111.2° | 120.0° |
| C34 | C02 | C03 | 123.8° | 120.0° |
| C02 | C34 | H38 | 109.5° | 109.4° |
| C02 | C34 | H39 | 109.5° | 109.5° |
| C02 | C34 | H40 | 109.5° | 109.5° |
| C01 | C02 | C03 | 125.0° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C03 | C04 | 132.0° | 120.0° |
| C02 | C03 | H4 | 114.0° | 120.0° |
| C03 | C04 | C05 | 126.0° | 109.5° |
| C04 | C03 | H4 | 114.0° | 120.0° |
| C03 | C04 | H5 | 105.2° | 109.5° |
| C03 | C04 | H6 | 105.2° | 109.5° |
| C04 | C05 | C06 | 128.9° | 109.5° |
| C05 | C04 | H5 | 105.2° | 109.4° |
| C05 | C04 | H6 | 105.2° | 109.4° |
| C04 | C05 | H7 | 104.4° | 109.5° |
| C04 | C05 | H8 | 104.4° | 109.4° |
| C14 | C13 | C12 | 119.5° | 109.5° |
| C13 | C14 | C31 | 109.3° | 120.0° |
| C13 | C14 | C15 | 127.9° | 120.0° |
| C14 | C13 | H17 | 106.9° | 109.5° |
| C14 | C13 | H18 | 106.9° | 109.4° |
| C13 | C12 | C11 | 108.2° | 109.5° |
| C13 | C12 | H15 | 109.8° | 109.5° |
| C13 | C12 | H16 | 109.8° | 109.4° |
| C12 | C13 | H17 | 106.9° | 109.5° |
| C12 | C13 | H18 | 106.9° | 109.4° |
| C31 | C14 | C15 | 122.8° | 120.0° |
| C14 | C31 | H29 | 109.5° | 109.5° |
| C14 | C31 | H30 | 109.4° | 109.5° |
| C14 | C31 | H31 | 109.5° | 109.5° |
| C12 | C11 | C10 | 120.9° | 120.0° |
| C12 | C11 | H14 | 119.5° | 120.0° |
| C11 | C12 | H15 | 109.8° | 109.4° |
| C11 | C12 | H16 | 109.8° | 109.5° |
| C11 | C10 | C09 | 122.3° | 120.0° |
| C11 | C10 | C32 | 112.3° | 120.0° |
| C10 | C11 | H14 | 119.5° | 120.0° |
| C14 | C15 | C16 | 131.1° | 120.0° |
| C14 | C15 | H19 | 114.4° | 120.0° |
| C10 | C09 | C08 | 122.7° | 109.5° |
| C09 | C10 | C32 | 125.3° | 120.0° |
| C10 | C09 | H12 | 106.0° | 109.5° |
| C10 | C09 | H13 | 106.1° | 109.5° |
| C09 | C08 | C07 | 104.0° | 109.5° |
| C09 | C08 | H10 | 110.8° | 109.4° |
| C09 | C08 | H11 | 110.8° | 109.5° |
| C08 | C09 | H12 | 106.1° | 109.4° |
| C08 | C09 | H13 | 106.1° | 109.5° |
| C08 | C07 | C06 | 125.7° | 119.9° |
| C08 | C07 | H9 | 117.1° | 120.0° |
| C07 | C08 | H10 | 110.8° | 109.5° |
| C07 | C08 | H11 | 110.8° | 109.5° |
| C07 | C06 | C05 | 125.9° | 120.0° |
| C07 | C06 | C33 | 111.9° | 120.1° |
| C06 | C07 | H9 | 117.2° | 120.1° |
| C05 | C06 | C33 | 122.1° | 120.0° |
| C06 | C05 | H7 | 104.4° | 109.4° |
| C06 | C05 | H8 | 104.4° | 109.5° |
| C10 | C32 | H32 | 109.5° | 109.5° |
| C10 | C32 | H33 | 109.5° | 109.5° |
| C10 | C32 | H34 | 109.4° | 109.4° |
| C15 | C16 | C17 | 129.4° | 109.5° |
| C16 | C15 | H19 | 114.5° | 120.0° |
| C15 | C16 | H20 | 104.3° | 109.5° |
| C15 | C16 | H21 | 104.3° | 109.5° |
| C06 | C33 | H35 | 109.5° | 109.5° |
| C06 | C33 | H36 | 109.5° | 109.5° |
| C06 | C33 | H37 | 109.4° | 109.5° |
| C16 | C17 | O29 | 95.4° | 118.8° |
| C16 | C17 | C18 | 107.0° | 116.4° |
| C16 | C17 | C28 | 135.3° | 119.0° |
| C17 | C16 | H20 | 104.3° | 109.5° |
| C17 | C16 | H21 | 104.3° | 109.4° |
| O19 | C18 | C17 | 122.2° | 121.4° |
| O19 | C18 | C20 | 115.7° | 121.5° |
| O29 | C17 | C18 | 144.8° | 116.7° |
| O29 | C17 | C28 | 57.5° | 57.4° |
| C17 | O29 | C28 | 62.8° | 65.2° |
| C18 | C17 | C28 | 114.9° | 115.6° |
| C17 | C18 | C20 | 121.8° | 117.1° |
| C17 | C28 | O29 | 59.7° | 57.4° |
| C17 | C28 | C30 | 107.1° | 119.0° |
| C17 | C28 | C26 | 123.4° | 113.9° |
| O29 | C28 | C30 | 103.9° | 119.5° |
| O29 | C28 | C26 | 150.0° | 117.6° |
| C18 | C20 | C21 | 116.9° | 121.8° |
| C18 | C20 | C25 | 122.4° | 118.4° |
| C30 | C28 | C26 | 102.9° | 116.3° |
| C28 | C30 | H26 | 109.5° | 109.4° |
| C28 | C30 | H27 | 109.5° | 109.5° |
| C28 | C30 | H28 | 109.5° | 109.5° |
| C28 | C26 | C25 | 115.7° | 117.9° |
| C28 | C26 | O27 | 128.4° | 120.6° |
| C21 | C20 | C25 | 120.6° | 119.8° |
| C20 | C21 | C22 | 116.2° | 119.5° |
| C20 | C21 | H22 | 121.9° | 120.2° |
| C20 | C25 | C26 | 119.8° | 118.4° |
| C20 | C25 | C24 | 120.5° | 119.8° |
| C21 | C22 | C23 | 123.0° | 120.7° |
| C22 | C21 | H22 | 121.9° | 120.3° |
| C21 | C22 | H23 | 118.5° | 119.7° |
| C25 | C26 | O27 | 115.8° | 121.5° |
| C26 | C25 | C24 | 119.7° | 121.8° |
| C25 | C24 | C23 | 118.5° | 119.6° |
| C25 | C24 | H25 | 120.7° | 120.2° |
| C22 | C23 | C24 | 121.2° | 120.6° |
| C23 | C22 | H23 | 118.5° | 119.7° |
| C22 | C23 | H24 | 119.4° | 119.7° |
| C24 | C23 | H24 | 119.4° | 119.7° |
| C23 | C24 | H25 | 120.8° | 120.2° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C04 | H6 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.5° | 109.5° |
| H10 | C08 | H11 | 109.5° | 109.5° |
| H12 | C09 | H13 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.4° | 109.4° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H26 | C30 | H28 | 109.4° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.6° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H29 | C31 | H31 | 109.5° | 109.4° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.5° |
| H32 | C32 | H34 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.4° |
| H35 | C33 | H37 | 109.5° | 109.4° |
| H36 | C33 | H37 | 109.5° | 109.5° |
| H38 | C34 | H39 | 109.5° | 109.5° |
| H38 | C34 | H40 | 109.5° | 109.5° |
| H39 | C34 | H40 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C02 | C01 | C03 | 179.5° | 180.0° |
| C34 | C02 | C03 | C04 | 2.9° | 180.0° |
| C34 | C02 | C01 | H1 | 180.0° | 120.0° |
| C34 | C02 | C01 | H2 | 60.0° | 0.0° |
| C34 | C02 | C01 | H3 | 60.0° | 120.0° |
| C34 | C02 | C03 | H4 | 177.1° | 0.0° |
| C02 | C34 | H38 | H39 | 120.0° | 120.0° |
| C02 | C34 | H38 | H40 | 120.0° | 120.0° |
| C02 | C34 | H39 | H40 | 120.0° | 120.0° |
| C01 | C02 | C03 | C04 | 177.7° | 0.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 2.3° | 180.0° |
| C01 | C02 | C34 | H38 | 180.0° | 90.0° |
| C01 | C02 | C34 | H39 | 60.0° | 150.0° |
| C01 | C02 | C34 | H40 | 60.0° | 30.0° |
| C02 | C03 | C04 | H4 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 179.8° | 125.0° |
| C03 | C02 | C01 | H1 | 0.5° | 60.0° |
| C03 | C02 | C01 | H2 | 120.5° | 180.0° |
| C03 | C02 | C01 | H3 | 119.5° | 60.0° |
| C02 | C03 | C04 | H5 | 58.0° | 115.0° |
| C02 | C03 | C04 | H6 | 57.6° | 5.0° |
| C03 | C02 | C34 | H38 | 0.5° | 90.0° |
| C03 | C02 | C34 | H39 | 119.5° | 30.0° |
| C03 | C02 | C34 | H40 | 120.5° | 150.0° |
| C03 | C04 | C05 | H5 | 122.2° | 120.0° |
| C03 | C04 | C05 | H6 | 122.2° | 120.0° |
| C03 | C04 | C05 | C06 | 46.3° | 180.0° |
| C03 | C04 | H5 | H6 | 112.6° | 120.0° |
| C03 | C04 | C05 | H7 | 76.3° | 60.0° |
| C03 | C04 | C05 | H8 | 168.8° | 60.0° |
| C04 | C05 | C06 | C07 | 55.0° | 95.0° |
| C04 | C05 | C06 | H7 | 122.5° | 120.0° |
| C04 | C05 | C06 | H8 | 122.5° | 120.0° |
| C04 | C05 | C06 | C33 | 126.7° | 85.0° |
| C05 | C04 | C03 | H4 | 0.2° | 54.9° |
| C05 | C04 | H5 | H6 | 112.6° | 119.9° |
| C04 | C05 | H7 | H8 | 111.3° | 120.0° |
| C14 | C13 | C12 | H17 | 121.4° | 120.0° |
| C14 | C13 | C12 | H18 | 121.4° | 120.0° |
| C13 | C14 | C31 | C15 | 179.1° | 180.0° |
| C14 | C13 | C12 | C11 | 123.1° | 180.0° |
| C13 | C14 | C15 | C16 | 179.5° | 172.9° |
| C14 | C13 | C12 | H15 | 117.1° | 60.0° |
| C14 | C13 | C12 | H16 | 3.2° | 60.0° |
| C14 | C13 | H17 | H18 | 115.5° | 120.0° |
| C13 | C14 | C15 | H19 | 0.5° | 7.1° |
| C13 | C14 | C31 | H29 | 180.0° | 95.6° |
| C13 | C14 | C31 | H30 | 60.0° | 144.4° |
| C13 | C14 | C31 | H31 | 60.0° | 24.4° |
| C12 | C13 | C14 | C31 | 120.1° | 85.0° |
| C13 | C12 | C11 | H15 | 119.8° | 120.0° |
| C13 | C12 | C11 | H16 | 119.8° | 120.0° |
| C13 | C12 | C11 | C10 | 178.7° | 126.1° |
| C12 | C13 | C14 | C15 | 60.9° | 95.0° |
| C13 | C12 | C11 | H14 | 1.3° | 53.8° |
| C13 | C12 | H15 | H16 | 120.5° | 120.0° |
| C12 | C13 | H17 | H18 | 115.5° | 120.0° |
| C31 | C14 | C15 | C16 | 1.6° | 7.1° |
| C31 | C14 | C13 | H17 | 1.4° | 155.0° |
| C31 | C14 | C13 | H18 | 118.5° | 35.0° |
| C31 | C14 | C15 | H19 | 178.4° | 172.9° |
| C14 | C31 | H29 | H30 | 120.0° | 120.0° |
| C14 | C31 | H29 | H31 | 120.0° | 120.0° |
| C14 | C31 | H30 | H31 | 120.0° | 120.0° |
| C12 | C11 | C10 | H14 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 179.7° | 174.2° |
| C12 | C11 | C10 | C32 | 4.3° | 5.8° |
| C11 | C12 | H15 | H16 | 120.6° | 120.0° |
| C11 | C12 | C13 | H17 | 1.7° | 60.0° |
| C11 | C12 | C13 | H18 | 115.5° | 60.0° |
| C11 | C10 | C09 | C32 | 174.8° | 180.0° |
| C11 | C10 | C09 | C08 | 73.3° | 95.0° |
| C11 | C10 | C09 | H12 | 48.5° | 24.9° |
| C11 | C10 | C09 | H13 | 164.9° | 145.0° |
| C10 | C11 | C12 | H15 | 61.5° | 113.9° |
| C10 | C11 | C12 | H16 | 58.9° | 6.1° |
| C11 | C10 | C32 | H32 | 180.0° | 84.6° |
| C11 | C10 | C32 | H33 | 60.0° | 35.4° |
| C11 | C10 | C32 | H34 | 60.0° | 155.4° |
| C14 | C15 | C16 | H19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 109.9° | 124.4° |
| C15 | C14 | C13 | H17 | 177.7° | 25.0° |
| C15 | C14 | C13 | H18 | 60.5° | 145.0° |
| C14 | C15 | C16 | H20 | 127.5° | 115.6° |
| C14 | C15 | C16 | H21 | 12.7° | 4.4° |
| C15 | C14 | C31 | H29 | 0.9° | 84.4° |
| C15 | C14 | C31 | H30 | 119.1° | 35.6° |
| C15 | C14 | C31 | H31 | 120.9° | 155.6° |
| C10 | C09 | C08 | H12 | 121.8° | 120.0° |
| C10 | C09 | C08 | H13 | 121.8° | 120.1° |
| C10 | C09 | C08 | C07 | 179.9° | NaN° |
| C10 | C09 | C08 | H10 | 60.8° | 60.0° |
| C10 | C09 | C08 | H11 | 61.0° | 59.9° |
| C10 | C09 | H12 | H13 | 114.0° | 120.1° |
| C09 | C10 | C11 | H14 | 0.3° | 5.7° |
| C09 | C10 | C32 | H32 | 4.8° | 95.4° |
| C09 | C10 | C32 | H33 | 115.2° | 144.5° |
| C09 | C10 | C32 | H34 | 124.8° | 24.6° |
| C09 | C08 | C07 | H10 | 119.1° | 119.9° |
| C09 | C08 | C07 | H11 | 119.1° | 120.0° |
| C09 | C08 | C07 | C06 | 147.3° | 126.2° |
| C08 | C09 | C10 | C32 | 111.9° | 85.0° |
| C09 | C08 | C07 | H9 | 32.7° | 53.8° |
| C09 | C08 | H10 | H11 | 122.5° | 119.9° |
| C08 | C09 | H12 | H13 | 114.0° | 120.0° |
| C08 | C07 | C06 | H9 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 179.0° | 174.3° |
| C08 | C07 | C06 | C33 | 0.6° | 5.8° |
| C07 | C08 | H10 | H11 | 122.5° | 120.1° |
| C07 | C08 | C09 | H12 | 58.3° | 60.0° |
| C07 | C08 | C09 | H13 | 58.0° | 59.9° |
| C07 | C06 | C05 | C33 | 178.3° | 179.9° |
| C07 | C06 | C05 | H7 | 177.5° | 25.0° |
| C07 | C06 | C05 | H8 | 67.5° | 145.0° |
| C06 | C07 | C08 | H10 | 28.2° | 113.9° |
| C06 | C07 | C08 | H11 | 93.6° | 6.2° |
| C07 | C06 | C33 | H35 | 180.0° | 84.6° |
| C07 | C06 | C33 | H36 | 60.0° | 35.4° |
| C07 | C06 | C33 | H37 | 60.0° | 155.4° |
| C06 | C05 | C04 | H5 | 168.5° | 60.0° |
| C06 | C05 | C04 | H6 | 75.9° | 60.0° |
| C06 | C05 | H7 | H8 | 111.4° | 120.0° |
| C05 | C06 | C07 | H9 | 1.0° | 5.7° |
| C05 | C06 | C33 | H35 | 1.5° | 95.5° |
| C05 | C06 | C33 | H36 | 118.5° | 144.6° |
| C05 | C06 | C33 | H37 | 121.5° | 24.5° |
| C32 | C10 | C09 | H12 | 126.2° | 155.0° |
| C32 | C10 | C09 | H13 | 9.9° | 35.0° |
| C32 | C10 | C11 | H14 | 175.6° | 174.3° |
| C10 | C32 | H32 | H33 | 120.0° | 120.0° |
| C10 | C32 | H32 | H34 | 120.0° | 120.0° |
| C10 | C32 | H33 | H34 | 120.0° | 120.0° |
| C15 | C16 | C17 | H20 | 122.6° | 120.1° |
| C15 | C16 | C17 | H21 | 122.6° | 120.0° |
| C15 | C16 | C17 | O29 | 102.2° | 111.3° |
| C15 | C16 | C17 | C18 | 105.2° | 36.4° |
| C15 | C16 | C17 | C28 | 54.3° | 177.9° |
| C15 | C16 | H20 | H21 | 111.1° | 120.0° |
| C33 | C06 | C05 | H7 | 4.2° | 155.0° |
| C33 | C06 | C05 | H8 | 110.8° | 35.0° |
| C33 | C06 | C07 | H9 | 179.5° | 174.2° |
| C06 | C33 | H35 | H36 | 120.0° | 119.9° |
| C06 | C33 | H35 | H37 | 120.0° | 120.1° |
| C06 | C33 | H36 | H37 | 120.0° | 120.1° |
| C16 | C17 | C18 | O19 | 14.3° | 68.4° |
| C16 | C17 | O29 | C18 | 130.2° | 147.7° |
| C16 | C17 | O29 | C28 | 141.9° | 107.7° |
| C16 | C17 | C18 | C28 | 164.3° | 146.8° |
| C16 | C17 | C18 | C20 | 171.8° | 111.5° |
| C16 | C17 | C28 | C30 | 35.4° | 0.8° |
| C16 | C17 | C28 | C26 | 154.3° | 144.0° |
| C17 | C16 | C15 | H19 | 70.1° | 55.6° |
| C17 | C16 | H20 | H21 | 111.1° | 119.9° |
| O19 | C18 | C17 | O29 | 113.0° | 80.1° |
| O19 | C18 | C17 | C20 | 173.9° | 179.9° |
| O19 | C18 | C17 | C28 | 178.6° | 144.7° |
| O19 | C18 | C20 | C21 | 5.9° | 35.4° |
| O19 | C18 | C20 | C25 | 176.8° | 144.5° |
| O29 | C17 | C18 | C28 | 68.4° | 64.7° |
| O29 | C17 | C18 | C20 | 60.9° | 100.0° |
| C17 | O29 | C28 | C30 | 101.9° | 107.4° |
| O29 | C17 | C28 | C26 | 144.7° | 108.5° |
| O29 | C17 | C16 | H20 | 20.4° | 128.6° |
| O29 | C17 | C16 | H21 | 135.2° | 8.6° |
| C18 | C17 | C28 | C30 | 123.0° | 145.1° |
| C18 | C17 | C28 | C26 | 4.1° | 2.0° |
| C17 | C18 | C20 | C21 | 168.4° | 144.5° |
| C17 | C18 | C20 | C25 | 8.9° | 35.5° |
| C18 | C17 | C16 | H20 | 132.2° | 83.6° |
| C18 | C17 | C16 | H21 | 17.4° | 156.4° |
| C28 | C17 | C18 | C20 | 7.5° | 35.3° |
| C17 | C28 | C30 | C26 | 131.4° | 142.3° |
| C17 | C28 | C26 | C25 | 14.2° | 32.4° |
| C17 | C28 | C26 | O27 | 165.5° | 146.9° |
| C28 | C17 | C16 | H20 | 68.2° | 62.1° |
| C28 | C17 | C16 | H21 | 177.0° | 57.9° |
| C17 | C28 | C30 | H26 | 180.0° | 60.0° |
| C17 | C28 | C30 | H27 | 60.0° | 180.0° |
| C17 | C28 | C30 | H28 | 60.0° | 59.9° |
| O29 | C28 | C30 | C26 | 166.5° | 150.9° |
| O29 | C28 | C26 | C25 | 72.0° | 96.7° |
| O29 | C28 | C26 | O27 | 108.4° | 82.6° |
| O29 | C28 | C30 | H26 | 117.9° | 6.7° |
| O29 | C28 | C30 | H27 | 122.1° | 113.2° |
| O29 | C28 | C30 | H28 | 2.1° | 126.7° |
| C18 | C20 | C21 | C25 | 177.3° | 179.9° |
| C18 | C20 | C21 | C22 | 178.5° | 179.9° |
| C18 | C20 | C25 | C26 | 2.2° | 0.1° |
| C18 | C20 | C25 | C24 | 177.8° | 179.9° |
| C18 | C20 | C21 | H22 | 1.5° | 0.1° |
| C30 | C28 | C26 | C25 | 135.0° | 111.8° |
| C30 | C28 | C26 | O27 | 44.7° | 68.9° |
| C28 | C30 | H26 | H27 | 120.0° | 120.0° |
| C28 | C30 | H26 | H28 | 120.0° | 119.9° |
| C28 | C30 | H27 | H28 | 120.0° | 120.0° |
| C28 | C26 | C25 | C20 | 12.8° | 34.6° |
| C28 | C26 | C25 | O27 | 179.7° | 179.3° |
| C28 | C26 | C25 | C24 | 167.1° | 145.4° |
| C26 | C28 | C30 | H26 | 48.6° | 157.7° |
| C26 | C28 | C30 | H27 | 71.5° | 37.7° |
| C26 | C28 | C30 | H28 | 168.6° | 82.4° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| C21 | C20 | C25 | C26 | 179.3° | 180.0° |
| C21 | C20 | C25 | C24 | 0.6° | 0.0° |
| C20 | C21 | C22 | C23 | 1.3° | 0.0° |
| C20 | C21 | C22 | H23 | 178.7° | 180.0° |
| C25 | C20 | C21 | C22 | 1.1° | 0.0° |
| C20 | C25 | C26 | C24 | 179.9° | 180.0° |
| C20 | C25 | C26 | O27 | 166.9° | 144.7° |
| C20 | C25 | C24 | C23 | 0.1° | 0.0° |
| C25 | C20 | C21 | H22 | 178.8° | 180.0° |
| C20 | C25 | C24 | H25 | 179.9° | 179.9° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.9° | 0.0° |
| C21 | C22 | C23 | H24 | 179.1° | 180.0° |
| C26 | C25 | C24 | C23 | 179.8° | 180.0° |
| C26 | C25 | C24 | H25 | 0.2° | 0.0° |
| O27 | C26 | C25 | C24 | 13.2° | 35.3° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C25 | C24 | C23 | H25 | 180.0° | 180.0° |
| C25 | C24 | C23 | H24 | 179.7° | 180.0° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C22 | C21 | H22 | 178.7° | 180.0° |
| C22 | C23 | C24 | H25 | 179.8° | 180.0° |
| C24 | C23 | C22 | H23 | 179.1° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H5 | 122.0° | 65.0° |
| H4 | C03 | C04 | H6 | 122.4° | 175.0° |
| H5 | C04 | C05 | H7 | 45.9° | 180.0° |
| H5 | C04 | C05 | H8 | 69.0° | 60.1° |
| H6 | C04 | C05 | H7 | 161.5° | 60.0° |
| H6 | C04 | C05 | H8 | 46.6° | 180.0° |
| H9 | C07 | C08 | H10 | 151.9° | 66.1° |
| H9 | C07 | C08 | H11 | 86.4° | 173.8° |
| H10 | C08 | C09 | H12 | 177.4° | 180.0° |
| H10 | C08 | C09 | H13 | 61.1° | 60.0° |
| H11 | C08 | C09 | H12 | 60.8° | 60.0° |
| H11 | C08 | C09 | H13 | 177.2° | 180.0° |
| H14 | C11 | C12 | H15 | 118.5° | 66.2° |
| H14 | C11 | C12 | H16 | 121.1° | 173.8° |
| H15 | C12 | C13 | H17 | 121.5° | 180.0° |
| H15 | C12 | C13 | H18 | 4.3° | 60.0° |
| H16 | C12 | C13 | H17 | 118.1° | 60.0° |
| H16 | C12 | C13 | H18 | 124.7° | 180.0° |
| H19 | C15 | C16 | H20 | 52.5° | 64.5° |
| H19 | C15 | C16 | H21 | 167.3° | 175.5° |
| H22 | C21 | C22 | H23 | 1.3° | 0.1° |
| H23 | C22 | C23 | H24 | 0.9° | 0.0° |
| H24 | C23 | C24 | H25 | 0.2° | 0.1° |
| H26 | C30 | H27 | H28 | 119.9° | 120.1° |
| H29 | C31 | H30 | H31 | 120.0° | 119.9° |
| H32 | C32 | H33 | H34 | 120.0° | 120.0° |
| H35 | C33 | H36 | H37 | 120.0° | 120.0° |
| H38 | C34 | H39 | H40 | 120.0° | 120.0° |
