A1BD6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| C02 | C05 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | doub | 1.33Å | 1.50Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.50Å | |
| C06 | C07 | sing | 1.51Å | 1.33Å | |
| C09 | C08 | sing | 1.47Å | 1.33Å | |
| C13 | C14 | doub | 1.33Å | 1.32Å | |
| C07 | C08 | doub | 1.33Å | 1.44Å | |
| C14 | C15 | sing | 1.47Å | 1.43Å | |
| C15 | C16 | doub | 1.33Å | 1.33Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C22 | O23 | sing | 1.43Å | 1.39Å | |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| O37 | C28 | sing | 1.43Å | 1.40Å | |
| O25 | C24 | sing | 1.43Å | 1.40Å | |
| C20 | O21 | sing | 1.43Å | 1.39Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C26 | O27 | sing | 1.43Å | 1.39Å | |
| O30 | C29 | sing | 1.46Å | 1.46Å | |
| O30 | C31 | sing | 1.34Å | 1.33Å | |
| C29 | C34 | sing | 1.54Å | 1.52Å | |
| C34 | C32 | sing | 1.55Å | 1.54Å | |
| C34 | O35 | sing | 1.43Å | 1.46Å | |
| C31 | O36 | doub | 1.21Å | 1.18Å | |
| C31 | C32 | sing | 1.52Å | 1.51Å | |
| O33 | C32 | sing | 1.43Å | 1.41Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.08Å | 1.08Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| O33 | H39 | sing | 0.97Å | 0.95Å | |
| O35 | H40 | sing | 0.97Å | 0.95Å | |
| O37 | H41 | sing | 0.97Å | 0.95Å | |
| O21 | H42 | sing | 0.97Å | 0.95Å | |
| O23 | H43 | sing | 0.97Å | 0.95Å | |
| O25 | H44 | sing | 0.97Å | 0.95Å | |
| O27 | H45 | sing | 0.97Å | 0.95Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 109.8° | 109.5° |
| C03 | C02 | C04 | 109.9° | 109.4° |
| C03 | C02 | C05 | 107.2° | 109.5° |
| C02 | C03 | H4 | 109.5° | 109.4° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.4° |
| C01 | C02 | C04 | 109.4° | 109.5° |
| C01 | C02 | C05 | 110.0° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C10 | C11 | C12 | 107.1° | 109.5° |
| C11 | C10 | C09 | 115.5° | 120.0° |
| C11 | C10 | H17 | 122.2° | 120.0° |
| C10 | C11 | H18 | 110.1° | 109.4° |
| C10 | C11 | H19 | 110.1° | 109.5° |
| C11 | C12 | C13 | 107.0° | 109.5° |
| C12 | C11 | H18 | 110.1° | 109.5° |
| C12 | C11 | H19 | 110.0° | 109.5° |
| C11 | C12 | H20 | 110.1° | 109.5° |
| C11 | C12 | H21 | 110.1° | 109.4° |
| C04 | C02 | C05 | 110.5° | 109.5° |
| C02 | C04 | H7 | 109.5° | 109.5° |
| C02 | C04 | H8 | 109.5° | 109.5° |
| C02 | C04 | H9 | 109.4° | 109.5° |
| C02 | C05 | C06 | 114.1° | 109.5° |
| C02 | C05 | H10 | 108.3° | 109.5° |
| C02 | C05 | H11 | 108.3° | 109.5° |
| C10 | C09 | C08 | 126.4° | 120.0° |
| C10 | C09 | H16 | 116.8° | 120.0° |
| C09 | C10 | H17 | 122.2° | 120.0° |
| C12 | C13 | C14 | 128.0° | 120.0° |
| C13 | C12 | H20 | 110.1° | 109.5° |
| C13 | C12 | H21 | 110.1° | 109.5° |
| C12 | C13 | H22 | 116.0° | 120.0° |
| C05 | C06 | C07 | 125.5° | 109.5° |
| C06 | C05 | H10 | 108.3° | 109.4° |
| C06 | C05 | H11 | 108.3° | 109.5° |
| C05 | C06 | H12 | 105.4° | 109.4° |
| C05 | C06 | H13 | 105.3° | 109.5° |
| C06 | C07 | C08 | 123.5° | 120.0° |
| C07 | C06 | H12 | 105.3° | 109.4° |
| C07 | C06 | H13 | 105.3° | 109.5° |
| C06 | C07 | H14 | 118.2° | 120.0° |
| C09 | C08 | C07 | 123.4° | 120.0° |
| C09 | C08 | H15 | 118.3° | 120.0° |
| C08 | C09 | H16 | 116.8° | 120.0° |
| C13 | C14 | C15 | 122.2° | 120.0° |
| C14 | C13 | H22 | 116.0° | 120.0° |
| C13 | C14 | H23 | 118.9° | 120.0° |
| C08 | C07 | H14 | 118.2° | 120.0° |
| C07 | C08 | H15 | 118.3° | 120.0° |
| C14 | C15 | C16 | 112.2° | 120.0° |
| C15 | C14 | H23 | 118.9° | 120.0° |
| C14 | C15 | H24 | 123.9° | 120.0° |
| C15 | C16 | C17 | 124.6° | 120.0° |
| C16 | C15 | H24 | 123.9° | 120.0° |
| C15 | C16 | H26 | 117.7° | 120.0° |
| C16 | C17 | C18 | 114.5° | 109.5° |
| C17 | C16 | H26 | 117.7° | 120.0° |
| C16 | C17 | H28 | 108.2° | 109.5° |
| C16 | C17 | H29 | 108.2° | 109.5° |
| C17 | C18 | C19 | 109.9° | 109.4° |
| C17 | C18 | C20 | 108.3° | 109.5° |
| C18 | C17 | H28 | 108.2° | 109.4° |
| C18 | C17 | H29 | 108.2° | 109.4° |
| C17 | C18 | H30 | 109.9° | 109.5° |
| C19 | C18 | C20 | 108.6° | 109.5° |
| C19 | C18 | H30 | 110.0° | 109.5° |
| C18 | C19 | H31 | 109.5° | 109.5° |
| C18 | C19 | H32 | 109.5° | 109.5° |
| C18 | C19 | H33 | 109.4° | 109.5° |
| C18 | C20 | C22 | 112.8° | 109.5° |
| C18 | C20 | O21 | 109.3° | 109.5° |
| C20 | C18 | H30 | 110.1° | 109.5° |
| C18 | C20 | H34 | 107.8° | 109.5° |
| O23 | C22 | C20 | 109.1° | 109.4° |
| O23 | C22 | C24 | 112.3° | 109.5° |
| O23 | C22 | H35 | 111.0° | 109.5° |
| C22 | O23 | H43 | 109.5° | 114.0° |
| C20 | C22 | C24 | 106.3° | 109.5° |
| C22 | C20 | O21 | 109.6° | 109.4° |
| C22 | C20 | H34 | 107.7° | 109.5° |
| C20 | C22 | H35 | 109.1° | 109.4° |
| C22 | C24 | O25 | 108.8° | 109.5° |
| C22 | C24 | C26 | 115.7° | 109.5° |
| C24 | C22 | H35 | 108.9° | 109.5° |
| C22 | C24 | H36 | 106.4° | 109.5° |
| O37 | C28 | C26 | 111.3° | 109.4° |
| O37 | C28 | C29 | 109.8° | 109.5° |
| O37 | C28 | H38 | 111.0° | 109.4° |
| C28 | O37 | H41 | 109.5° | 113.9° |
| O25 | C24 | C26 | 111.3° | 109.5° |
| O25 | C24 | H36 | 108.0° | 109.5° |
| C24 | O25 | H44 | 109.5° | 114.0° |
| O21 | C20 | H34 | 109.5° | 109.5° |
| C20 | O21 | H42 | 109.5° | 114.0° |
| C24 | C26 | C28 | 113.7° | 109.5° |
| C24 | C26 | O27 | 109.3° | 109.4° |
| C26 | C24 | H36 | 106.3° | 109.4° |
| C24 | C26 | H37 | 107.9° | 109.5° |
| C26 | C28 | C29 | 106.2° | 109.5° |
| C28 | C26 | O27 | 108.1° | 109.4° |
| C28 | C26 | H37 | 108.0° | 109.5° |
| C26 | C28 | H38 | 109.0° | 109.5° |
| C28 | C29 | O30 | 111.8° | 110.1° |
| C28 | C29 | C34 | 110.1° | 110.1° |
| C29 | C28 | H38 | 109.5° | 109.5° |
| C28 | C29 | H46 | 110.3° | 110.1° |
| O27 | C26 | H37 | 109.9° | 109.5° |
| C26 | O27 | H45 | 109.5° | 114.0° |
| C29 | O30 | C31 | 107.3° | 109.7° |
| O30 | C29 | C34 | 103.4° | 106.4° |
| O30 | C29 | H46 | 110.9° | 110.0° |
| O30 | C31 | O36 | 122.0° | 126.4° |
| O30 | C31 | C32 | 111.2° | 107.1° |
| C29 | C34 | C32 | 100.8° | 103.1° |
| C29 | C34 | O35 | 109.9° | 110.7° |
| C34 | C29 | H46 | 110.1° | 110.1° |
| C29 | C34 | H48 | 111.0° | 110.7° |
| C32 | C34 | O35 | 112.0° | 110.7° |
| C34 | C32 | C31 | 102.2° | 103.5° |
| C34 | C32 | O33 | 111.1° | 110.6° |
| C34 | C32 | H47 | 110.3° | 110.8° |
| C32 | C34 | H48 | 110.7° | 110.7° |
| C34 | O35 | H40 | 109.5° | 114.0° |
| O35 | C34 | H48 | 111.9° | 110.7° |
| O36 | C31 | C32 | 126.9° | 126.4° |
| C31 | C32 | O33 | 109.9° | 110.6° |
| C31 | C32 | H47 | 110.7° | 110.7° |
| C32 | O33 | H39 | 109.5° | 114.0° |
| O33 | C32 | H47 | 112.3° | 110.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.4° | 109.5° |
| H4 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.4° |
| H7 | C04 | H9 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.4° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H28 | C17 | H29 | 109.4° | 109.5° |
| H31 | C19 | H32 | 109.5° | 109.4° |
| H31 | C19 | H33 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | C04 | 120.7° | 119.9° |
| C03 | C02 | C01 | C05 | 117.7° | 120.0° |
| C03 | C02 | C04 | C05 | 118.1° | 120.0° |
| C03 | C02 | C05 | C06 | 56.1° | 60.0° |
| C03 | C02 | C01 | H1 | 180.0° | 59.9° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C02 | C03 | H4 | H5 | 120.0° | 120.0° |
| C02 | C03 | H4 | H6 | 120.0° | 119.9° |
| C02 | C03 | H5 | H6 | 120.0° | 119.9° |
| C03 | C02 | C04 | H7 | 180.0° | 180.0° |
| C03 | C02 | C04 | H8 | 60.0° | 60.0° |
| C03 | C02 | C04 | H9 | 60.0° | 60.1° |
| C03 | C02 | C05 | H10 | 64.5° | 59.9° |
| C03 | C02 | C05 | H11 | 176.8° | 179.9° |
| C01 | C02 | C04 | C05 | 121.3° | 120.0° |
| C01 | C02 | C05 | C06 | 63.2° | 60.0° |
| 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 | 180.0° | 59.9° |
| C01 | C02 | C03 | H5 | 60.0° | 180.0° |
| C01 | C02 | C03 | H6 | 60.0° | 60.0° |
| C01 | C02 | C04 | H7 | 59.4° | 60.0° |
| C01 | C02 | C04 | H8 | 179.4° | 180.0° |
| C01 | C02 | C04 | H9 | 60.6° | 59.9° |
| C01 | C02 | C05 | H10 | 176.1° | 180.0° |
| C01 | C02 | C05 | H11 | 57.5° | 60.0° |
| C10 | C11 | C12 | H18 | 119.6° | 119.9° |
| C10 | C11 | C12 | H19 | 119.6° | 120.0° |
| C11 | C10 | C09 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 9.5° | 180.0° |
| C11 | C10 | C09 | C08 | 179.9° | 180.0° |
| C11 | C10 | C09 | H16 | 0.1° | 0.0° |
| C10 | C11 | H18 | H19 | 121.1° | 120.0° |
| C10 | C11 | C12 | H20 | 110.2° | 60.0° |
| C10 | C11 | C12 | H21 | 129.1° | 60.0° |
| C12 | C11 | C10 | C09 | 84.6° | 125.0° |
| C11 | C12 | C13 | H20 | 119.6° | 120.0° |
| C11 | C12 | C13 | H21 | 119.6° | 120.0° |
| C11 | C12 | C13 | C14 | 162.9° | 125.0° |
| C12 | C11 | C10 | H17 | 95.4° | 55.0° |
| C12 | C11 | H18 | H19 | 121.1° | 120.1° |
| C11 | C12 | H20 | H21 | 121.1° | 120.0° |
| C11 | C12 | C13 | H22 | 17.1° | 55.0° |
| C04 | C02 | C05 | C06 | 175.9° | 180.0° |
| C04 | C02 | C01 | H1 | 59.3° | 60.0° |
| C04 | C02 | C01 | H2 | 60.7° | 180.0° |
| C04 | C02 | C01 | H3 | 179.3° | 60.0° |
| C04 | C02 | C03 | H4 | 59.7° | 60.0° |
| C04 | C02 | C03 | H5 | 179.6° | 60.0° |
| C04 | C02 | C03 | H6 | 60.4° | 180.0° |
| C02 | C04 | H7 | H8 | 120.0° | 120.0° |
| C02 | C04 | H7 | H9 | 120.0° | 120.0° |
| C02 | C04 | H8 | H9 | 120.0° | 120.1° |
| C04 | C02 | C05 | H10 | 55.2° | 60.0° |
| C04 | C02 | C05 | H11 | 63.4° | 60.0° |
| C02 | C05 | C06 | H10 | 120.7° | 120.0° |
| C02 | C05 | C06 | H11 | 120.7° | 120.0° |
| C02 | C05 | C06 | C07 | 153.3° | 180.0° |
| C05 | C02 | C01 | H1 | 62.3° | 180.0° |
| C05 | C02 | C01 | H2 | 177.7° | 60.0° |
| C05 | C02 | C01 | H3 | 57.7° | 60.0° |
| C05 | C02 | C03 | H4 | 60.5° | 180.0° |
| C05 | C02 | C03 | H5 | 59.5° | 59.9° |
| C05 | C02 | C03 | H6 | 179.5° | 60.0° |
| C05 | C02 | C04 | H7 | 61.9° | 60.0° |
| C05 | C02 | C04 | H8 | 58.1° | 59.9° |
| C05 | C02 | C04 | H9 | 178.1° | 180.0° |
| C02 | C05 | H10 | H11 | 117.9° | 120.0° |
| C02 | C05 | C06 | H12 | 31.1° | 60.0° |
| C02 | C05 | C06 | H13 | 84.6° | 60.0° |
| C10 | C09 | C08 | H16 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 113.0° | 174.7° |
| C10 | C09 | C08 | H15 | 67.0° | 5.3° |
| C09 | C10 | C11 | H18 | 35.0° | 115.0° |
| C09 | C10 | C11 | H19 | 155.8° | 5.0° |
| C12 | C13 | C14 | H22 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | C12 | C11 | H18 | 129.1° | 60.0° |
| C13 | C12 | C11 | H19 | 110.1° | 60.1° |
| C13 | C12 | H20 | H21 | 121.2° | 120.0° |
| C12 | C13 | C14 | H23 | 0.3° | 0.1° |
| C05 | C06 | C07 | H12 | 122.2° | 120.0° |
| C05 | C06 | C07 | H13 | 122.2° | 120.0° |
| C05 | C06 | C07 | C08 | 88.9° | 126.1° |
| C06 | C05 | H10 | H11 | 117.9° | 120.0° |
| C05 | C06 | H12 | H13 | 112.8° | 120.0° |
| C05 | C06 | C07 | H14 | 91.1° | 53.8° |
| C06 | C07 | C08 | C09 | 0.8° | 6.3° |
| C06 | C07 | C08 | H14 | 180.0° | 179.9° |
| C07 | C06 | C05 | H10 | 86.0° | 60.0° |
| C07 | C06 | C05 | H11 | 32.6° | 60.0° |
| C07 | C06 | H12 | H13 | 112.8° | 120.0° |
| C06 | C07 | C08 | H15 | 179.2° | 173.8° |
| C09 | C08 | C07 | H15 | 180.0° | 180.0° |
| C09 | C08 | C07 | H14 | 179.2° | 173.8° |
| C08 | C09 | C10 | H17 | 0.1° | 0.0° |
| C13 | C14 | C15 | H23 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 99.5° | 180.0° |
| C14 | C13 | C12 | H20 | 77.5° | 4.9° |
| C14 | C13 | C12 | H21 | 43.3° | 115.1° |
| C13 | C14 | C15 | H24 | 80.5° | 0.1° |
| C08 | C07 | C06 | H12 | 33.3° | 6.1° |
| C08 | C07 | C06 | H13 | 149.0° | 113.9° |
| C07 | C08 | C09 | H16 | 67.1° | 5.3° |
| C14 | C15 | C16 | H24 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C15 | C14 | C13 | H22 | 0.3° | 0.1° |
| C14 | C15 | C16 | H26 | 0.0° | 0.1° |
| C15 | C16 | C17 | H26 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 147.7° | 125.0° |
| C16 | C15 | C14 | H23 | 80.5° | 0.1° |
| C15 | C16 | C17 | H28 | 27.0° | 115.0° |
| C15 | C16 | C17 | H29 | 91.5° | 5.1° |
| C16 | C17 | C18 | H28 | 120.8° | 120.0° |
| C16 | C17 | C18 | H29 | 120.8° | 120.0° |
| C16 | C17 | C18 | C19 | 29.6° | 65.0° |
| C16 | C17 | C18 | C20 | 148.1° | 175.0° |
| C17 | C16 | C15 | H24 | 0.0° | 0.1° |
| C16 | C17 | H28 | H29 | 117.7° | 120.1° |
| C16 | C17 | C18 | H30 | 91.5° | 55.0° |
| C17 | C18 | C19 | C20 | 118.3° | 120.0° |
| C17 | C18 | C19 | H30 | 121.1° | 120.0° |
| C17 | C18 | C20 | H30 | 120.2° | 120.0° |
| C17 | C18 | C20 | C22 | 9.7° | 180.0° |
| C17 | C18 | C20 | O21 | 112.6° | 60.0° |
| C18 | C17 | C16 | H26 | 32.3° | 55.0° |
| C18 | C17 | H28 | H29 | 117.7° | 119.9° |
| C17 | C18 | C19 | H31 | 180.0° | 179.9° |
| C17 | C18 | C19 | H32 | 60.0° | 60.0° |
| C17 | C18 | C19 | H33 | 60.0° | 60.0° |
| C17 | C18 | C20 | H34 | 128.4° | 60.0° |
| C19 | C18 | C20 | H30 | 120.5° | 120.0° |
| C19 | C18 | C20 | C22 | 129.0° | 60.0° |
| C19 | C18 | C20 | O21 | 6.8° | 180.0° |
| C19 | C18 | C17 | H28 | 91.2° | 55.0° |
| C19 | C18 | C17 | H29 | 150.4° | 175.0° |
| C18 | C19 | H31 | H32 | 120.0° | 120.0° |
| C18 | C19 | H31 | H33 | 120.0° | 120.0° |
| C18 | C19 | H32 | H33 | 120.0° | 120.0° |
| C19 | C18 | C20 | H34 | 112.2° | 60.0° |
| C18 | C20 | C22 | O23 | 128.3° | 55.0° |
| C18 | C20 | C22 | O21 | 122.1° | 120.0° |
| C18 | C20 | C22 | H34 | 118.8° | 120.0° |
| C18 | C20 | C22 | C24 | 110.4° | 175.0° |
| C18 | C20 | O21 | H34 | 117.9° | 120.0° |
| C20 | C18 | C17 | H28 | 27.4° | 65.0° |
| C20 | C18 | C17 | H29 | 91.1° | 55.0° |
| C20 | C18 | C19 | H31 | 61.6° | 60.1° |
| C20 | C18 | C19 | H32 | 178.3° | 180.0° |
| C20 | C18 | C19 | H33 | 58.3° | 60.0° |
| C18 | C20 | C22 | H35 | 6.9° | 65.0° |
| C18 | C20 | O21 | H42 | 180.0° | 60.0° |
| O23 | C22 | C20 | C24 | 121.3° | 120.0° |
| O23 | C22 | C20 | H35 | 121.4° | 120.0° |
| O23 | C22 | C24 | H35 | 123.3° | 120.0° |
| O23 | C22 | C24 | O25 | 119.1° | 180.0° |
| O23 | C22 | C20 | O21 | 6.2° | 65.0° |
| O23 | C22 | C24 | C26 | 7.0° | 60.0° |
| O23 | C22 | C20 | H34 | 112.9° | 175.0° |
| O23 | C22 | C24 | H36 | 124.8° | 60.0° |
| C20 | C22 | C24 | H35 | 117.4° | 120.0° |
| C20 | C22 | C24 | O25 | 121.7° | 60.0° |
| C22 | C20 | O21 | H34 | 118.0° | 120.0° |
| C20 | C22 | C24 | C26 | 112.2° | 180.0° |
| C22 | C20 | C18 | H30 | 110.5° | 60.0° |
| C20 | C22 | C24 | H36 | 5.6° | 60.0° |
| C22 | C20 | O21 | H42 | 55.9° | 60.0° |
| C20 | C22 | O23 | H43 | 180.0° | 60.1° |
| C22 | C24 | O25 | C26 | 128.6° | 120.0° |
| C22 | C24 | O25 | H36 | 115.1° | 120.0° |
| C24 | C22 | C20 | O21 | 127.5° | 55.0° |
| C22 | C24 | C26 | H36 | 117.9° | 120.0° |
| C22 | C24 | C26 | C28 | 84.9° | 175.0° |
| C22 | C24 | C26 | O27 | 35.9° | 55.0° |
| C24 | C22 | C20 | H34 | 8.4° | 65.0° |
| C22 | C24 | C26 | H37 | 155.4° | 65.0° |
| C24 | C22 | O23 | H43 | 62.4° | 60.0° |
| C22 | C24 | O25 | H44 | 180.0° | 60.0° |
| O37 | C28 | C26 | C24 | 20.7° | 60.0° |
| O37 | C28 | C26 | C29 | 119.4° | 120.0° |
| O37 | C28 | C26 | H38 | 122.7° | 120.0° |
| O37 | C28 | C29 | H38 | 122.0° | 120.0° |
| O37 | C28 | C26 | O27 | 142.2° | 180.0° |
| O37 | C28 | C29 | O30 | 5.9° | 63.6° |
| O37 | C28 | C29 | C34 | 120.3° | 53.4° |
| O37 | C28 | C26 | H37 | 99.0° | 60.0° |
| O37 | C28 | C29 | H46 | 118.1° | 174.9° |
| O25 | C24 | C26 | H36 | 117.3° | 120.0° |
| O25 | C24 | C26 | C28 | 39.9° | 55.0° |
| O25 | C24 | C26 | O27 | 160.7° | 65.0° |
| O25 | C24 | C22 | H35 | 4.3° | 60.0° |
| O25 | C24 | C26 | H37 | 79.8° | 175.0° |
| O21 | C20 | C18 | H30 | 127.2° | 60.0° |
| O21 | C20 | C22 | H35 | 115.2° | 175.0° |
| C24 | C26 | C28 | O27 | 121.6° | 119.9° |
| C24 | C26 | C28 | H37 | 119.6° | 120.0° |
| C24 | C26 | C28 | C29 | 140.1° | 180.0° |
| C24 | C26 | O27 | H37 | 118.2° | 120.0° |
| C26 | C24 | C22 | H35 | 130.3° | 60.0° |
| C24 | C26 | C28 | H38 | 102.1° | 59.9° |
| C26 | C24 | O25 | H44 | 51.4° | 60.0° |
| C24 | C26 | O27 | H45 | 180.0° | 60.0° |
| C26 | C28 | C29 | H38 | 117.5° | 120.0° |
| C28 | C26 | O27 | H37 | 117.6° | 120.0° |
| C26 | C28 | C29 | O30 | 126.3° | 56.4° |
| C26 | C28 | C29 | C34 | 119.3° | 173.4° |
| C28 | C26 | C24 | H36 | 157.2° | 65.0° |
| C26 | C28 | O37 | H41 | 180.0° | 60.0° |
| C28 | C26 | O27 | H45 | 55.8° | 60.0° |
| C26 | C28 | C29 | H46 | 2.4° | 65.1° |
| C29 | C28 | C26 | O27 | 98.4° | 60.0° |
| C28 | C29 | O30 | C34 | 118.4° | 119.3° |
| C28 | C29 | O30 | H46 | 123.6° | 121.5° |
| C28 | C29 | O30 | C31 | 154.7° | 140.5° |
| C28 | C29 | C34 | H46 | 121.8° | 121.6° |
| C28 | C29 | C34 | C32 | 157.4° | 120.3° |
| C28 | C29 | C34 | O35 | 84.3° | 121.3° |
| C29 | C28 | C26 | H37 | 20.4° | 60.0° |
| C29 | C28 | O37 | H41 | 62.8° | 60.1° |
| C28 | C29 | C34 | H48 | 40.0° | 1.9° |
| O27 | C26 | C24 | H36 | 82.0° | 175.0° |
| O27 | C26 | C28 | H38 | 19.5° | 60.0° |
| O30 | C29 | C34 | H46 | 118.6° | 119.2° |
| O30 | C29 | C34 | C32 | 37.8° | 1.0° |
| O30 | C29 | C34 | O35 | 156.2° | 119.4° |
| C29 | O30 | C31 | O36 | 161.3° | 147.2° |
| C29 | O30 | C31 | C32 | 19.0° | 32.8° |
| O30 | C29 | C28 | H38 | 116.1° | 176.5° |
| O30 | C29 | C34 | H48 | 79.6° | 117.4° |
| C31 | O30 | C29 | C34 | 36.3° | 21.2° |
| O30 | C31 | C32 | C34 | 5.7° | 30.6° |
| O30 | C31 | O36 | C32 | 179.6° | 180.0° |
| O30 | C31 | C32 | O33 | 123.7° | 87.9° |
| C31 | O30 | C29 | H46 | 81.7° | 98.0° |
| O30 | C31 | C32 | H47 | 111.8° | 149.3° |
| C29 | C34 | C32 | O35 | 116.8° | 118.4° |
| C29 | C34 | C32 | H48 | 117.5° | 118.4° |
| C29 | C34 | O35 | H48 | 123.7° | 123.2° |
| C29 | C34 | C32 | C31 | 26.3° | 16.5° |
| C29 | C34 | C32 | O33 | 143.4° | 102.1° |
| C34 | C29 | C28 | H38 | 1.8° | 66.6° |
| C29 | C34 | O35 | H40 | 180.0° | 180.0° |
| C29 | C34 | C32 | H47 | 91.4° | 135.1° |
| C32 | C34 | O35 | H48 | 125.1° | 123.2° |
| C34 | C32 | C31 | O36 | 174.0° | 149.4° |
| C34 | C32 | C31 | O33 | 118.0° | 118.5° |
| C34 | C32 | C31 | H47 | 117.4° | 118.7° |
| C34 | C32 | O33 | H47 | 124.1° | 123.0° |
| C34 | C32 | O33 | H39 | 131.3° | 175.5° |
| C32 | C34 | O35 | H40 | 68.8° | 66.3° |
| C32 | C34 | C29 | H46 | 80.8° | 118.1° |
| O35 | C34 | C32 | C31 | 143.1° | 101.9° |
| O35 | C34 | C32 | O33 | 99.8° | 139.5° |
| O35 | C34 | C29 | H46 | 37.6° | 0.3° |
| O35 | C34 | C32 | H47 | 25.4° | 16.7° |
| O36 | C31 | C32 | O33 | 55.9° | 92.1° |
| O36 | C31 | C32 | H47 | 68.6° | 30.7° |
| C31 | C32 | O33 | H47 | 123.6° | 122.9° |
| C31 | C32 | O33 | H39 | 19.0° | 61.4° |
| C31 | C32 | C34 | H48 | 91.2° | 134.9° |
| O33 | C32 | C34 | H48 | 25.9° | 16.4° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 120.1° |
| H7 | C04 | H8 | H9 | 120.0° | 120.0° |
| H10 | C05 | C06 | H12 | 151.8° | 179.9° |
| H10 | C05 | C06 | H13 | 36.1° | 60.0° |
| H11 | C05 | C06 | H12 | 89.5° | 60.0° |
| H11 | C05 | C06 | H13 | 154.8° | 180.0° |
| H12 | C06 | C07 | H14 | 146.7° | 173.8° |
| H13 | C06 | C07 | H14 | 31.0° | 66.2° |
| H14 | C07 | C08 | H15 | 0.8° | 6.1° |
| H15 | C08 | C09 | H16 | 112.9° | 174.7° |
| H16 | C09 | C10 | H17 | 179.9° | 179.9° |
| H17 | C10 | C11 | H18 | 144.9° | 65.0° |
| H17 | C10 | C11 | H19 | 24.2° | 175.0° |
| H18 | C11 | C12 | H20 | 9.5° | 180.0° |
| H18 | C11 | C12 | H21 | 111.3° | 60.0° |
| H19 | C11 | C12 | H20 | 130.2° | 60.0° |
| H19 | C11 | C12 | H21 | 9.5° | 180.0° |
| H20 | C12 | C13 | H22 | 102.5° | 175.0° |
| H21 | C12 | C13 | H22 | 136.7° | 65.0° |
| H22 | C13 | C14 | H23 | 179.7° | 180.0° |
| H23 | C14 | C15 | H24 | 99.5° | NaN° |
| H24 | C15 | C16 | H26 | 180.0° | 180.0° |
| H26 | C16 | C17 | H28 | 153.0° | 64.9° |
| H26 | C16 | C17 | H29 | 88.5° | 175.0° |
| H28 | C17 | C18 | H30 | 147.7° | 175.0° |
| H29 | C17 | C18 | H30 | 29.2° | 65.1° |
| H30 | C18 | C19 | H31 | 58.9° | 59.9° |
| H30 | C18 | C19 | H32 | 61.1° | 60.0° |
| H30 | C18 | C19 | H33 | 178.9° | 180.0° |
| H30 | C18 | C20 | H34 | 8.3° | 180.0° |
| H31 | C19 | H32 | H33 | 120.0° | 120.0° |
| H34 | C20 | C22 | H35 | 125.7° | 55.0° |
| H34 | C20 | O21 | H42 | 62.1° | 180.0° |
| H35 | C22 | C24 | H36 | 111.9° | 180.0° |
| H35 | C22 | O23 | H43 | 59.8° | 180.0° |
| H36 | C24 | C26 | H37 | 37.5° | 55.0° |
| H36 | C24 | O25 | H44 | 64.9° | 180.0° |
| H37 | C26 | C28 | H38 | 138.3° | 180.0° |
| H37 | C26 | O27 | H45 | 61.8° | 180.0° |
| H38 | C28 | O37 | H41 | 58.4° | 180.0° |
| H38 | C28 | C29 | H46 | 119.9° | 55.0° |
| H39 | O33 | C32 | H47 | 104.6° | 61.5° |
| H40 | O35 | C34 | H48 | 56.3° | 56.8° |
| H46 | C29 | C34 | H48 | 161.8° | 123.4° |
| H47 | C32 | C34 | H48 | 151.1° | 106.4° |
