A1H1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | C33 | sing | 1.43Å | 1.39Å | |
| O30 | C29 | sing | 1.43Å | 1.39Å | |
| O17 | C16 | sing | 1.43Å | 1.40Å | |
| O19 | C18 | sing | 1.43Å | 1.39Å | |
| O19 | C20 | sing | 1.43Å | 1.39Å | |
| O21 | C22 | sing | 1.43Å | 1.38Å | |
| O21 | C20 | sing | 1.43Å | 1.38Å | |
| C15 | O14 | sing | 1.43Å | 1.39Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C18 | sing | 1.53Å | 1.54Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | C18 | sing | 1.53Å | 1.54Å | |
| C31 | O32 | sing | 1.43Å | 1.39Å | |
| O24 | C23 | sing | 1.43Å | 1.40Å | |
| O14 | C13 | sing | 1.43Å | 1.37Å | |
| C33 | C13 | sing | 1.53Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | C25 | sing | 1.53Å | 1.54Å | |
| C20 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C27 | sing | 1.53Å | 1.55Å | |
| C13 | O12 | sing | 1.43Å | 1.39Å | |
| C27 | C25 | sing | 1.53Å | 1.54Å | |
| C27 | O28 | sing | 1.43Å | 1.39Å | |
| C25 | O26 | sing | 1.43Å | 1.39Å | |
| O12 | C11 | sing | 1.43Å | 1.38Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | C09 | sing | 1.53Å | 1.50Å | |
| C11 | C35 | sing | 1.53Å | 1.51Å | |
| C09 | C08 | sing | 1.53Å | 1.51Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C08 | C36 | sing | 1.53Å | 1.50Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C37 | C07 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.50Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C38 | C04 | sing | 1.53Å | 1.50Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.50Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | 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 | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| O17 | H26 | sing | 0.97Å | 0.95Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| O24 | H30 | sing | 0.97Å | 0.95Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| O26 | H32 | sing | 0.97Å | 0.95Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| O28 | H34 | sing | 0.97Å | 0.95Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| O30 | H36 | sing | 0.97Å | 0.95Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| O32 | H38 | sing | 0.97Å | 0.95Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| O34 | H40 | sing | 0.97Å | 0.95Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | C33 | C31 | 106.6° | 109.4° |
| O34 | C33 | C13 | 107.6° | 109.5° |
| O34 | C33 | H39 | 111.4° | 109.6° |
| C33 | O34 | H40 | 109.5° | 114.0° |
| O30 | C29 | C20 | 106.9° | 109.5° |
| O30 | C29 | C27 | 109.0° | 109.5° |
| O30 | C29 | H35 | 111.9° | 109.6° |
| C29 | O30 | H36 | 109.5° | 114.0° |
| O17 | C16 | C15 | 106.3° | 109.5° |
| O17 | C16 | H18 | 110.3° | 109.5° |
| O17 | C16 | H19 | 110.3° | 109.4° |
| C16 | O17 | H26 | 109.5° | 114.0° |
| C18 | O19 | C20 | 116.1° | 114.0° |
| O19 | C18 | C15 | 109.1° | 109.5° |
| O19 | C18 | C31 | 106.5° | 109.6° |
| O19 | C18 | H20 | 111.9° | 109.5° |
| O19 | C20 | O21 | 101.8° | 109.5° |
| O19 | C20 | C29 | 107.6° | 109.5° |
| O19 | C20 | H1 | 112.6° | 109.5° |
| C22 | O21 | C20 | 115.6° | 114.1° |
| O21 | C22 | C23 | 110.0° | 109.4° |
| O21 | C22 | C25 | 113.2° | 109.5° |
| O21 | C22 | H27 | 108.7° | 109.5° |
| O21 | C20 | C29 | 111.4° | 109.4° |
| O21 | C20 | H1 | 112.8° | 109.6° |
| O14 | C15 | C16 | 108.1° | 109.5° |
| O14 | C15 | C18 | 115.3° | 109.4° |
| C15 | O14 | C13 | 121.2° | 114.1° |
| O14 | C15 | H25 | 108.8° | 109.5° |
| C16 | C15 | C18 | 110.7° | 109.5° |
| C15 | C16 | H18 | 110.3° | 109.5° |
| C15 | C16 | H19 | 110.3° | 109.5° |
| C16 | C15 | H25 | 106.8° | 109.5° |
| C15 | C18 | C31 | 109.8° | 109.1° |
| C15 | C18 | H20 | 109.7° | 109.5° |
| C18 | C15 | H25 | 106.8° | 109.5° |
| C33 | C31 | C18 | 113.8° | 109.0° |
| C33 | C31 | O32 | 104.9° | 109.6° |
| C31 | C33 | C13 | 112.9° | 109.2° |
| C33 | C31 | H37 | 110.0° | 109.6° |
| C31 | C33 | H39 | 109.3° | 109.6° |
| C18 | C31 | O32 | 106.0° | 109.5° |
| C31 | C18 | H20 | 109.7° | 109.6° |
| C18 | C31 | H37 | 109.9° | 109.5° |
| O32 | C31 | H37 | 112.2° | 109.7° |
| C31 | O32 | H38 | 109.5° | 113.9° |
| O24 | C23 | C22 | 105.5° | 109.5° |
| O24 | C23 | H28 | 110.4° | 109.5° |
| O24 | C23 | H29 | 110.5° | 109.5° |
| C23 | O24 | H30 | 109.5° | 114.0° |
| O14 | C13 | C33 | 113.3° | 109.4° |
| O14 | C13 | O12 | 105.5° | 109.5° |
| O14 | C13 | H24 | 109.6° | 109.5° |
| C33 | C13 | O12 | 112.0° | 109.5° |
| C33 | C13 | H24 | 107.1° | 109.5° |
| C13 | C33 | H39 | 109.0° | 109.5° |
| C23 | C22 | C25 | 111.1° | 109.5° |
| C23 | C22 | H27 | 106.6° | 109.4° |
| C22 | C23 | H28 | 110.5° | 109.4° |
| C22 | C23 | H29 | 110.5° | 109.5° |
| C22 | C25 | C27 | 111.1° | 109.1° |
| C22 | C25 | O26 | 108.9° | 109.5° |
| C25 | C22 | H27 | 106.8° | 109.5° |
| C22 | C25 | H31 | 110.1° | 109.5° |
| C20 | C29 | C27 | 110.0° | 109.2° |
| C29 | C20 | H1 | 110.3° | 109.4° |
| C20 | C29 | H35 | 109.5° | 109.5° |
| C29 | C27 | C25 | 110.4° | 109.0° |
| C29 | C27 | O28 | 105.6° | 109.5° |
| C29 | C27 | H33 | 109.6° | 109.6° |
| C27 | C29 | H35 | 109.5° | 109.5° |
| C13 | O12 | C11 | 114.7° | 114.0° |
| O12 | C13 | H24 | 109.3° | 109.5° |
| C25 | C27 | O28 | 109.7° | 109.6° |
| C27 | C25 | O26 | 104.4° | 109.5° |
| C27 | C25 | H31 | 110.0° | 109.6° |
| C25 | C27 | H33 | 109.7° | 109.6° |
| O28 | C27 | H33 | 111.9° | 109.5° |
| C27 | O28 | H34 | 109.5° | 114.0° |
| O26 | C25 | H31 | 112.3° | 109.5° |
| C25 | O26 | H32 | 109.5° | 113.9° |
| O12 | C11 | C10 | 109.0° | 109.5° |
| O12 | C11 | C35 | 111.3° | 109.5° |
| O12 | C11 | H17 | 110.6° | 109.5° |
| C11 | C10 | C09 | 111.8° | 109.5° |
| C10 | C11 | C35 | 108.3° | 109.4° |
| C10 | C11 | H17 | 108.8° | 109.5° |
| C11 | C10 | H22 | 108.9° | 109.5° |
| C11 | C10 | H23 | 108.9° | 109.5° |
| C10 | C09 | C08 | 113.4° | 109.4° |
| C10 | C09 | H15 | 108.5° | 109.5° |
| C10 | C09 | H16 | 108.5° | 109.5° |
| C09 | C10 | H22 | 108.9° | 109.6° |
| C09 | C10 | H23 | 108.9° | 109.4° |
| C11 | C35 | C36 | 114.8° | 109.5° |
| C35 | C11 | H17 | 108.8° | 109.5° |
| C11 | C35 | H41 | 108.1° | 109.5° |
| C11 | C35 | H42 | 108.1° | 109.5° |
| C09 | C08 | C36 | 109.2° | 109.4° |
| C09 | C08 | C07 | 105.7° | 109.5° |
| C09 | C08 | H14 | 107.1° | 109.4° |
| C08 | C09 | H15 | 108.5° | 109.4° |
| C08 | C09 | H16 | 108.5° | 109.5° |
| C35 | C36 | C08 | 111.2° | 109.4° |
| C36 | C35 | H41 | 108.1° | 109.5° |
| C36 | C35 | H42 | 108.1° | 109.4° |
| C35 | C36 | H43 | 109.1° | 109.5° |
| C35 | C36 | H44 | 109.1° | 109.5° |
| C36 | C08 | C07 | 119.7° | 109.5° |
| C36 | C08 | H14 | 107.3° | 109.5° |
| C08 | C36 | H43 | 109.0° | 109.5° |
| C08 | C36 | H44 | 109.1° | 109.4° |
| C08 | C07 | C37 | 106.7° | 109.5° |
| C08 | C07 | C06 | 122.2° | 109.5° |
| C07 | C08 | H14 | 107.1° | 109.5° |
| C08 | C07 | H21 | 106.0° | 109.5° |
| C07 | C37 | C38 | 110.8° | 109.5° |
| C37 | C07 | C06 | 108.9° | 109.4° |
| C37 | C07 | H21 | 106.0° | 109.4° |
| C07 | C37 | H45 | 109.1° | 109.5° |
| C07 | C37 | H46 | 109.1° | 109.4° |
| C37 | C38 | C04 | 110.8° | 109.4° |
| C38 | C37 | H45 | 109.1° | 109.5° |
| C38 | C37 | H46 | 109.1° | 109.5° |
| C37 | C38 | H47 | 109.1° | 109.5° |
| C37 | C38 | H48 | 109.1° | 109.4° |
| C07 | C06 | C05 | 118.9° | 109.5° |
| C07 | C06 | H12 | 107.1° | 109.4° |
| C07 | C06 | H13 | 107.1° | 109.5° |
| C06 | C07 | H21 | 105.9° | 109.5° |
| C38 | C04 | C03 | 110.4° | 109.4° |
| C38 | C04 | C05 | 107.9° | 109.5° |
| C38 | C04 | H9 | 108.2° | 109.5° |
| C04 | C38 | H47 | 109.2° | 109.5° |
| C04 | C38 | H48 | 109.2° | 109.5° |
| C04 | C03 | C02 | 113.7° | 109.5° |
| C03 | C04 | C05 | 114.0° | 109.5° |
| C04 | C03 | H7 | 108.4° | 109.5° |
| C04 | C03 | H8 | 108.4° | 109.5° |
| C03 | C04 | H9 | 108.0° | 109.4° |
| C03 | C02 | C01 | 113.0° | 109.5° |
| C03 | C02 | H5 | 108.6° | 109.4° |
| C03 | C02 | H6 | 108.6° | 109.5° |
| C02 | C03 | H7 | 108.4° | 109.5° |
| C02 | C03 | H8 | 108.4° | 109.5° |
| C06 | C05 | C04 | 114.1° | 109.5° |
| C06 | C05 | H10 | 108.3° | 109.5° |
| C06 | C05 | H11 | 108.3° | 109.4° |
| C05 | C06 | H12 | 107.1° | 109.5° |
| C05 | C06 | H13 | 107.0° | 109.5° |
| C05 | C04 | H9 | 108.2° | 109.5° |
| C04 | C05 | H10 | 108.3° | 109.5° |
| C04 | C05 | H11 | 108.3° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C01 | C02 | H5 | 108.6° | 109.5° |
| C01 | C02 | H6 | 108.6° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.6° |
| H5 | C02 | H6 | 109.5° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.4° |
| H10 | C05 | H11 | 109.5° | 109.4° |
| H12 | C06 | H13 | 109.5° | 109.4° |
| H15 | C09 | H16 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H22 | C10 | H23 | 109.5° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H41 | C35 | H42 | 109.5° | 109.4° |
| H43 | C36 | H44 | 109.5° | 109.5° |
| H45 | C37 | H46 | 109.5° | 109.4° |
| H47 | C38 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C33 | C31 | C13 | 118.0° | 119.9° |
| O34 | C33 | C31 | H39 | 120.5° | 120.2° |
| O34 | C33 | C31 | C18 | 113.5° | 176.9° |
| O34 | C33 | C31 | O32 | 131.1° | 63.3° |
| O34 | C33 | C13 | O14 | 71.4° | 177.5° |
| O34 | C33 | C13 | H39 | 120.9° | 120.2° |
| O34 | C33 | C13 | O12 | 169.4° | 62.6° |
| O34 | C33 | C13 | H24 | 49.6° | 57.5° |
| O34 | C33 | C31 | H37 | 10.3° | 57.1° |
| O30 | C29 | C20 | O19 | 35.2° | 57.5° |
| O30 | C29 | C20 | O21 | 75.6° | 177.5° |
| O30 | C29 | C20 | C27 | 118.2° | 119.9° |
| O30 | C29 | C20 | H35 | 121.4° | 120.2° |
| O30 | C29 | C27 | H35 | 122.7° | 120.2° |
| O30 | C29 | C27 | C25 | 132.3° | 176.9° |
| O30 | C29 | C27 | O28 | 109.2° | 63.2° |
| O30 | C29 | C20 | H1 | 158.4° | 62.5° |
| O30 | C29 | C27 | H33 | 11.4° | 57.0° |
| O17 | C16 | C15 | O14 | 156.4° | 63.5° |
| O17 | C16 | C15 | H18 | 119.5° | 120.0° |
| O17 | C16 | C15 | H19 | 119.5° | 120.0° |
| O17 | C16 | C15 | C18 | 76.5° | 176.6° |
| O17 | C16 | H18 | H19 | 121.5° | 119.9° |
| O17 | C16 | C15 | H25 | 39.4° | 56.5° |
| C18 | O19 | C20 | O21 | 144.0° | 72.8° |
| O19 | C18 | C15 | O14 | 166.9° | 177.6° |
| O19 | C18 | C15 | C16 | 70.0° | 62.4° |
| O19 | C18 | C15 | C31 | 116.4° | 120.0° |
| O19 | C18 | C15 | H20 | 123.0° | 120.1° |
| O19 | C18 | C31 | C33 | 158.1° | 176.9° |
| O19 | C18 | C31 | H20 | 121.3° | 120.2° |
| O19 | C18 | C31 | O32 | 87.2° | 63.2° |
| C18 | O19 | C20 | C29 | 98.7° | 167.2° |
| C18 | O19 | C20 | H1 | 23.0° | 47.3° |
| O19 | C18 | C15 | H25 | 45.9° | 57.6° |
| O19 | C18 | C31 | H37 | 34.3° | 57.1° |
| O19 | C20 | O21 | C22 | 178.6° | 58.9° |
| O19 | C20 | O21 | C29 | 114.5° | 120.0° |
| O19 | C20 | O21 | H1 | 120.9° | 120.1° |
| C20 | O19 | C18 | C15 | 126.9° | 154.5° |
| C20 | O19 | C18 | C31 | 114.6° | 85.8° |
| O19 | C20 | C29 | H1 | 123.2° | 120.0° |
| O19 | C20 | C29 | C27 | 153.4° | 62.4° |
| C20 | O19 | C18 | H20 | 5.3° | 34.4° |
| O19 | C20 | C29 | H35 | 86.2° | 177.7° |
| O21 | C22 | C23 | O24 | 37.9° | 65.0° |
| O21 | C22 | C23 | C25 | 126.2° | 120.0° |
| O21 | C22 | C23 | H27 | 117.8° | 119.9° |
| O21 | C22 | C25 | H27 | 119.6° | 120.0° |
| C22 | O21 | C20 | C29 | 67.0° | 61.1° |
| O21 | C22 | C25 | C27 | 36.8° | 57.6° |
| O21 | C22 | C25 | O26 | 151.2° | 177.5° |
| C22 | O21 | C20 | H1 | 57.7° | 178.9° |
| O21 | C22 | C23 | H28 | 81.5° | 175.1° |
| O21 | C22 | C23 | H29 | 157.2° | 55.1° |
| O21 | C22 | C25 | H31 | 85.3° | 62.4° |
| C20 | O21 | C22 | C23 | 101.0° | 178.9° |
| C20 | O21 | C22 | C25 | 24.0° | 61.1° |
| O21 | C20 | C29 | H1 | 126.0° | 120.1° |
| O21 | C20 | C29 | C27 | 42.7° | 57.6° |
| C20 | O21 | C22 | H27 | 142.5° | 58.9° |
| O21 | C20 | C29 | H35 | 163.0° | 62.3° |
| O14 | C15 | C16 | C18 | 127.1° | 119.9° |
| O14 | C15 | C16 | H25 | 117.0° | 120.0° |
| O14 | C15 | C18 | H25 | 121.0° | 120.0° |
| O14 | C15 | C18 | C31 | 50.5° | 57.6° |
| C15 | O14 | C13 | C33 | 39.8° | 61.2° |
| C15 | O14 | C13 | O12 | 83.0° | 178.8° |
| O14 | C15 | C16 | H18 | 36.9° | 176.5° |
| O14 | C15 | C16 | H19 | 84.1° | 56.5° |
| O14 | C15 | C18 | H20 | 70.1° | 62.3° |
| C15 | O14 | C13 | H24 | 159.4° | 58.8° |
| C16 | C15 | C18 | H25 | 115.9° | 120.1° |
| C16 | C15 | C18 | C31 | 173.6° | 177.6° |
| C16 | C15 | O14 | C13 | 133.8° | 178.8° |
| C15 | C16 | H18 | H19 | 121.5° | 120.0° |
| C16 | C15 | C18 | H20 | 53.0° | 57.7° |
| C15 | C16 | O17 | H26 | 180.0° | 180.0° |
| C15 | C18 | C31 | C33 | 40.1° | 57.0° |
| C15 | C18 | C31 | H20 | 120.6° | 119.9° |
| C15 | C18 | C31 | O32 | 154.8° | 176.8° |
| C18 | C15 | O14 | C13 | 9.4° | 61.2° |
| C18 | C15 | C16 | H18 | 164.0° | 56.6° |
| C18 | C15 | C16 | H19 | 43.0° | 63.4° |
| C15 | C18 | C31 | H37 | 83.8° | 62.9° |
| C33 | C31 | C18 | O32 | 114.7° | 119.8° |
| C33 | C31 | C18 | H37 | 123.9° | 119.9° |
| C33 | C31 | O32 | H37 | 119.3° | 120.3° |
| C31 | C33 | C13 | O14 | 46.0° | 57.7° |
| C31 | C33 | C13 | H39 | 121.7° | 120.0° |
| C31 | C33 | C13 | O12 | 73.2° | 177.6° |
| C33 | C31 | C18 | H20 | 80.5° | 62.9° |
| C31 | C33 | C13 | H24 | 167.0° | 62.3° |
| C33 | C31 | O32 | H38 | 180.0° | 60.1° |
| C31 | C33 | O34 | H40 | 180.0° | 180.0° |
| C18 | C31 | O32 | H37 | 120.0° | 120.2° |
| C18 | C31 | C33 | C13 | 4.5° | 57.0° |
| C31 | C18 | C15 | H25 | 70.5° | 62.3° |
| C18 | C31 | O32 | H38 | 59.3° | 179.6° |
| C18 | C31 | C33 | H39 | 126.0° | 62.9° |
| O32 | C31 | C33 | C13 | 110.9° | 176.8° |
| O32 | C31 | C18 | H20 | 34.2° | 57.0° |
| O32 | C31 | C33 | H39 | 10.6° | 56.9° |
| O24 | C23 | C22 | H28 | 119.3° | 120.0° |
| O24 | C23 | C22 | H29 | 119.4° | 120.1° |
| O24 | C23 | C22 | C25 | 164.1° | 175.0° |
| O24 | C23 | C22 | H27 | 79.9° | 55.0° |
| O24 | C23 | H28 | H29 | 121.8° | 120.1° |
| O14 | C13 | C33 | O12 | 119.2° | 120.0° |
| O14 | C13 | C33 | H24 | 121.0° | 120.0° |
| O14 | C13 | O12 | H24 | 117.7° | 120.0° |
| O14 | C13 | O12 | C11 | 96.7° | 65.0° |
| C13 | O14 | C15 | H25 | 110.6° | 58.8° |
| O14 | C13 | C33 | H39 | 167.7° | 62.3° |
| C33 | C13 | O12 | H24 | 118.6° | 120.1° |
| C33 | C13 | O12 | C11 | 139.6° | 175.1° |
| C13 | C33 | C31 | H37 | 128.3° | 62.8° |
| C13 | C33 | O34 | H40 | 58.6° | 60.3° |
| C23 | C22 | C25 | H27 | 115.9° | 120.0° |
| C23 | C22 | C25 | C27 | 161.2° | 177.6° |
| C23 | C22 | C25 | O26 | 84.4° | 62.5° |
| C22 | C23 | H28 | H29 | 121.9° | 120.0° |
| C22 | C23 | O24 | H30 | 180.0° | 180.0° |
| C23 | C22 | C25 | H31 | 39.1° | 57.6° |
| C22 | C25 | C27 | C29 | 54.6° | 57.0° |
| C22 | C25 | C27 | O26 | 117.2° | 119.9° |
| C22 | C25 | C27 | H31 | 122.1° | 120.0° |
| C22 | C25 | C27 | O28 | 170.5° | 176.8° |
| C22 | C25 | O26 | H31 | 122.1° | 120.1° |
| C25 | C22 | C23 | H28 | 44.7° | 55.1° |
| C25 | C22 | C23 | H29 | 76.5° | 64.9° |
| C22 | C25 | O26 | H32 | 180.0° | 179.9° |
| C22 | C25 | C27 | H33 | 66.2° | 62.9° |
| C20 | C29 | C27 | H35 | 120.4° | 119.9° |
| C20 | C29 | C27 | C25 | 15.4° | 57.0° |
| C20 | C29 | C27 | O28 | 133.9° | 176.9° |
| C20 | C29 | C27 | H33 | 105.5° | 63.0° |
| C20 | C29 | O30 | H36 | 180.0° | 60.0° |
| C29 | C27 | C25 | O28 | 116.0° | 119.8° |
| C29 | C27 | C25 | H33 | 120.8° | 119.9° |
| C29 | C27 | O28 | H33 | 119.1° | 120.2° |
| C29 | C27 | C25 | O26 | 171.8° | 176.8° |
| C27 | C29 | C20 | H1 | 83.4° | 177.6° |
| C29 | C27 | C25 | H31 | 67.5° | 63.0° |
| C29 | C27 | O28 | H34 | 180.0° | 60.4° |
| C27 | C29 | O30 | H36 | 61.1° | 179.7° |
| C13 | O12 | C11 | C10 | 33.6° | 90.0° |
| C13 | O12 | C11 | C35 | 153.0° | 150.0° |
| C13 | O12 | C11 | H17 | 86.0° | 30.0° |
| O12 | C13 | C33 | H39 | 48.5° | 57.7° |
| C25 | C27 | O28 | H33 | 121.9° | 120.2° |
| C27 | C25 | O26 | H31 | 119.2° | 120.2° |
| C27 | C25 | C22 | H27 | 82.9° | 62.4° |
| C27 | C25 | O26 | H32 | 61.3° | 60.3° |
| C25 | C27 | O28 | H34 | 61.0° | 180.0° |
| C25 | C27 | C29 | H35 | 105.0° | 62.9° |
| O28 | C27 | C25 | O26 | 72.3° | 63.3° |
| O28 | C27 | C25 | H31 | 48.4° | 56.9° |
| O28 | C27 | C29 | H35 | 13.5° | 57.0° |
| O26 | C25 | C22 | H27 | 31.6° | 57.5° |
| O26 | C25 | C27 | H33 | 50.9° | 56.9° |
| O12 | C11 | C10 | C35 | 121.2° | 120.0° |
| O12 | C11 | C10 | H17 | 120.7° | 120.0° |
| O12 | C11 | C10 | C09 | 111.4° | 59.9° |
| O12 | C11 | C35 | H17 | 122.1° | 120.0° |
| O12 | C11 | C35 | C36 | 168.3° | 60.0° |
| O12 | C11 | C10 | H22 | 9.0° | 180.0° |
| O12 | C11 | C10 | H23 | 128.3° | 60.0° |
| C11 | O12 | C13 | H24 | 21.1° | 55.0° |
| O12 | C11 | C35 | H41 | 70.9° | 180.0° |
| O12 | C11 | C35 | H42 | 47.5° | 60.0° |
| C11 | C10 | C09 | H22 | 120.4° | 120.1° |
| C11 | C10 | C09 | H23 | 120.3° | 120.0° |
| C10 | C11 | C35 | H17 | 118.2° | 120.0° |
| C11 | C10 | C09 | C08 | 61.7° | 60.0° |
| C10 | C11 | C35 | C36 | 48.6° | 60.0° |
| C11 | C10 | C09 | H15 | 58.9° | 180.0° |
| C11 | C10 | C09 | H16 | 177.8° | 60.0° |
| C11 | C10 | H22 | H23 | 118.9° | 120.0° |
| C10 | C11 | C35 | H41 | 169.3° | 60.0° |
| C10 | C11 | C35 | H42 | 72.2° | 180.0° |
| C09 | C10 | C11 | C35 | 9.8° | 60.1° |
| C10 | C09 | C08 | H15 | 120.6° | 120.0° |
| C10 | C09 | C08 | H16 | 120.6° | 120.0° |
| C10 | C09 | C08 | C36 | 50.8° | 60.0° |
| C10 | C09 | C08 | C07 | 179.2° | 180.0° |
| C10 | C09 | C08 | H14 | 65.2° | 60.0° |
| C10 | C09 | H15 | H16 | 118.2° | 120.0° |
| C09 | C10 | C11 | H17 | 127.9° | 180.0° |
| C09 | C10 | H22 | H23 | 118.9° | 120.0° |
| C11 | C35 | C36 | H41 | 120.8° | 120.1° |
| C11 | C35 | C36 | H42 | 120.8° | 120.0° |
| C11 | C35 | C36 | C08 | 59.3° | 60.0° |
| C35 | C11 | C10 | H22 | 130.2° | 60.1° |
| C35 | C11 | C10 | H23 | 110.5° | 180.0° |
| C11 | C35 | H41 | H42 | 117.6° | 120.0° |
| C11 | C35 | C36 | H43 | 61.0° | 60.0° |
| C11 | C35 | C36 | H44 | 179.5° | 180.0° |
| C09 | C08 | C36 | C35 | 7.1° | 60.0° |
| C09 | C08 | C36 | C07 | 121.9° | 120.0° |
| C09 | C08 | C36 | H14 | 115.8° | 119.9° |
| C09 | C08 | C07 | H14 | 114.0° | 120.0° |
| C09 | C08 | C07 | C37 | 79.2° | 60.0° |
| C09 | C08 | C07 | C06 | 154.7° | 180.0° |
| C08 | C09 | H15 | H16 | 118.2° | 120.0° |
| C09 | C08 | C07 | H21 | 33.5° | 59.9° |
| C08 | C09 | C10 | H22 | 178.0° | 60.0° |
| C08 | C09 | C10 | H23 | 58.7° | 180.0° |
| C09 | C08 | C36 | H43 | 113.1° | 60.0° |
| C09 | C08 | C36 | H44 | 127.4° | 180.0° |
| C35 | C36 | C08 | H43 | 120.2° | 120.0° |
| C35 | C36 | C08 | H44 | 120.3° | 120.0° |
| C35 | C36 | C08 | C07 | 114.8° | 180.0° |
| C35 | C36 | C08 | H14 | 122.9° | 59.9° |
| C36 | C35 | C11 | H17 | 69.6° | 180.0° |
| C36 | C35 | H41 | H42 | 117.6° | 119.9° |
| C35 | C36 | H43 | H44 | 119.3° | 120.0° |
| C36 | C08 | C07 | H14 | 122.4° | 120.1° |
| C36 | C08 | C07 | C37 | 157.1° | 180.0° |
| C36 | C08 | C07 | C06 | 31.1° | 60.1° |
| C36 | C08 | C09 | H15 | 69.8° | 180.0° |
| C36 | C08 | C09 | H16 | 171.3° | 60.0° |
| C36 | C08 | C07 | H21 | 90.1° | 60.0° |
| C08 | C36 | C35 | H41 | 180.0° | 60.0° |
| C08 | C36 | C35 | H42 | 61.5° | 180.0° |
| C08 | C36 | H43 | H44 | 119.2° | 120.0° |
| C08 | C07 | C37 | C06 | 133.7° | 120.0° |
| C08 | C07 | C37 | H21 | 112.7° | 120.0° |
| C08 | C07 | C37 | C38 | 113.3° | 180.0° |
| C08 | C07 | C06 | H21 | 121.2° | 120.1° |
| C08 | C07 | C06 | C05 | 159.2° | 180.0° |
| C08 | C07 | C06 | H12 | 37.9° | 60.0° |
| C08 | C07 | C06 | H13 | 79.5° | 59.9° |
| C07 | C08 | C09 | H15 | 60.2° | 60.0° |
| C07 | C08 | C09 | H16 | 58.6° | 60.0° |
| C07 | C08 | C36 | H43 | 125.0° | 60.0° |
| C07 | C08 | C36 | H44 | 5.5° | 60.1° |
| C08 | C07 | C37 | H45 | 126.5° | 60.0° |
| C08 | C07 | C37 | H46 | 6.9° | 60.0° |
| C07 | C37 | C38 | H45 | 120.2° | 120.0° |
| C07 | C37 | C38 | H46 | 120.2° | 120.0° |
| C37 | C07 | C06 | H21 | 113.7° | 119.9° |
| C07 | C37 | C38 | C04 | 70.4° | 60.0° |
| C37 | C07 | C06 | C05 | 34.1° | 60.0° |
| C37 | C07 | C06 | H12 | 87.2° | 180.0° |
| C37 | C07 | C06 | H13 | 155.4° | 60.1° |
| C37 | C07 | C08 | H14 | 34.8° | 60.0° |
| C07 | C37 | H45 | H46 | 119.4° | 119.9° |
| C07 | C37 | C38 | H47 | 169.4° | 180.0° |
| C07 | C37 | C38 | H48 | 49.8° | 60.0° |
| C38 | C37 | C07 | C06 | 20.4° | 60.0° |
| C37 | C38 | C04 | H47 | 120.2° | 120.0° |
| C37 | C38 | C04 | H48 | 120.2° | 120.0° |
| C37 | C38 | C04 | C03 | 66.0° | 180.0° |
| C37 | C38 | C04 | C05 | 59.1° | 60.0° |
| C37 | C38 | C04 | H9 | 176.0° | 60.0° |
| C38 | C37 | C07 | H21 | 134.0° | 60.0° |
| C38 | C37 | H45 | H46 | 119.4° | 120.0° |
| C37 | C38 | H47 | H48 | 119.4° | 120.0° |
| C07 | C06 | C05 | H12 | 121.3° | 120.0° |
| C07 | C06 | C05 | H13 | 121.3° | 120.1° |
| C07 | C06 | C05 | C04 | 44.3° | 60.0° |
| C07 | C06 | C05 | H10 | 165.0° | 60.0° |
| C07 | C06 | C05 | H11 | 76.4° | 179.9° |
| C07 | C06 | H12 | H13 | 115.8° | 120.0° |
| C06 | C07 | C08 | H14 | 91.3° | 60.0° |
| C06 | C07 | C37 | H45 | 99.8° | 180.0° |
| C06 | C07 | C37 | H46 | 140.6° | 60.0° |
| C38 | C04 | C03 | C05 | 121.6° | 120.0° |
| C38 | C04 | C03 | H9 | 118.1° | 120.0° |
| C38 | C04 | C03 | C02 | 179.9° | 65.0° |
| C38 | C04 | C05 | C06 | 3.9° | 60.0° |
| C38 | C04 | C05 | H9 | 116.9° | 120.1° |
| C38 | C04 | C03 | H7 | 59.3° | 55.0° |
| C38 | C04 | C03 | H8 | 59.4° | 175.0° |
| C38 | C04 | C05 | H10 | 116.8° | 60.0° |
| C38 | C04 | C05 | H11 | 124.6° | 180.0° |
| C04 | C38 | C37 | H45 | 49.8° | 180.0° |
| C04 | C38 | C37 | H46 | 169.4° | 60.0° |
| C04 | C38 | H47 | H48 | 119.4° | 120.0° |
| C04 | C03 | C02 | H7 | 120.6° | 120.0° |
| C04 | C03 | C02 | H8 | 120.6° | 120.0° |
| C03 | C04 | C05 | C06 | 119.1° | 180.0° |
| C03 | C04 | C05 | H9 | 120.1° | 120.0° |
| C04 | C03 | C02 | C01 | 167.4° | 180.0° |
| C04 | C03 | C02 | H5 | 46.9° | 60.0° |
| C04 | C03 | C02 | H6 | 72.1° | 59.9° |
| C04 | C03 | H7 | H8 | 118.0° | 120.0° |
| C03 | C04 | C05 | H10 | 120.2° | 60.0° |
| C03 | C04 | C05 | H11 | 1.6° | 60.0° |
| C03 | C04 | C38 | H47 | 54.1° | 60.0° |
| C03 | C04 | C38 | H48 | 173.8° | 60.0° |
| C02 | C03 | C04 | C05 | 58.3° | 175.0° |
| C03 | C02 | C01 | H5 | 120.5° | 119.9° |
| C03 | C02 | C01 | H6 | 120.6° | 120.0° |
| C03 | C02 | C01 | H2 | 180.0° | 179.9° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | C01 | H4 | 60.0° | 60.1° |
| C03 | C02 | H5 | H6 | 118.4° | 120.0° |
| C02 | C03 | H7 | H8 | 118.1° | 120.0° |
| C02 | C03 | C04 | H9 | 61.9° | 55.0° |
| C06 | C05 | C04 | H10 | 120.7° | 120.0° |
| C06 | C05 | C04 | H11 | 120.7° | 120.0° |
| C06 | C05 | C04 | H9 | 120.8° | 60.0° |
| C06 | C05 | H10 | H11 | 117.9° | 119.9° |
| C05 | C06 | H12 | H13 | 115.7° | 120.0° |
| C05 | C06 | C07 | H21 | 79.6° | 60.0° |
| C05 | C04 | C03 | H7 | 62.3° | 65.0° |
| C05 | C04 | C03 | H8 | 178.9° | 55.0° |
| C04 | C05 | H10 | H11 | 117.9° | 120.1° |
| C04 | C05 | C06 | H12 | 77.1° | 180.0° |
| C04 | C05 | C06 | H13 | 165.6° | 60.1° |
| C05 | C04 | C38 | H47 | 179.3° | 180.0° |
| C05 | C04 | C38 | H48 | 61.1° | 60.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | H5 | H6 | 118.4° | 120.1° |
| C01 | C02 | C03 | H7 | 72.0° | 60.0° |
| C01 | C02 | C03 | H8 | 46.8° | 60.0° |
| H1 | C20 | C29 | H35 | 37.0° | 57.8° |
| H2 | C01 | H3 | H4 | 120.0° | 120.1° |
| H2 | C01 | C02 | H5 | 59.5° | 60.0° |
| H2 | C01 | C02 | H6 | 59.4° | 60.1° |
| H3 | C01 | C02 | H5 | 179.5° | 59.9° |
| H3 | C01 | C02 | H6 | 60.5° | 180.0° |
| H4 | C01 | C02 | H5 | 60.5° | 180.0° |
| H4 | C01 | C02 | H6 | 179.5° | 60.0° |
| H5 | C02 | C03 | H7 | 167.5° | 180.0° |
| H5 | C02 | C03 | H8 | 73.7° | 60.0° |
| H6 | C02 | C03 | H7 | 48.6° | 60.1° |
| H6 | C02 | C03 | H8 | 167.3° | 180.0° |
| H7 | C03 | C04 | H9 | 177.4° | 175.0° |
| H8 | C03 | C04 | H9 | 58.7° | 65.0° |
| H9 | C04 | C05 | H10 | 0.1° | 180.0° |
| H9 | C04 | C05 | H11 | 118.5° | 60.0° |
| H9 | C04 | C38 | H47 | 63.9° | 60.0° |
| H9 | C04 | C38 | H48 | 55.8° | 180.0° |
| H10 | C05 | C06 | H12 | 43.6° | 60.0° |
| H10 | C05 | C06 | H13 | 73.7° | 179.9° |
| H11 | C05 | C06 | H12 | 162.3° | 60.0° |
| H11 | C05 | C06 | H13 | 44.9° | 60.0° |
| H12 | C06 | C07 | H21 | 159.1° | 60.0° |
| H13 | C06 | C07 | H21 | 41.8° | NaN° |
| H14 | C08 | C09 | H15 | 174.2° | 60.0° |
| H14 | C08 | C09 | H16 | 55.4° | 180.0° |
| H14 | C08 | C07 | H21 | 147.5° | 179.9° |
| H14 | C08 | C36 | H43 | 2.7° | 179.9° |
| H14 | C08 | C36 | H44 | 116.8° | 60.0° |
| H15 | C09 | C10 | H22 | 61.4° | 59.9° |
| H15 | C09 | C10 | H23 | 179.3° | 60.0° |
| H16 | C09 | C10 | H22 | 57.4° | 180.0° |
| H16 | C09 | C10 | H23 | 61.9° | 60.0° |
| H17 | C11 | C10 | H22 | 111.7° | 59.9° |
| H17 | C11 | C10 | H23 | 7.6° | 60.0° |
| H17 | C11 | C35 | H41 | 51.2° | 60.0° |
| H17 | C11 | C35 | H42 | 169.7° | 60.0° |
| H18 | C16 | C15 | H25 | 80.1° | 63.5° |
| H18 | C16 | O17 | H26 | 60.5° | 59.9° |
| H19 | C16 | C15 | H25 | 158.9° | 176.5° |
| H19 | C16 | O17 | H26 | 60.5° | 60.0° |
| H20 | C18 | C15 | H25 | 168.8° | 177.8° |
| H20 | C18 | C31 | H37 | 155.6° | 177.2° |
| H21 | C07 | C37 | H45 | 13.8° | 60.0° |
| H21 | C07 | C37 | H46 | 105.8° | 180.0° |
| H24 | C13 | C33 | H39 | 71.4° | 177.7° |
| H27 | C22 | C23 | H28 | 160.7° | 65.0° |
| H27 | C22 | C23 | H29 | 39.5° | 175.0° |
| H27 | C22 | C25 | H31 | 155.0° | 177.6° |
| H28 | C23 | O24 | H30 | 60.6° | 60.0° |
| H29 | C23 | O24 | H30 | 60.6° | 60.0° |
| H31 | C25 | O26 | H32 | 57.9° | 59.9° |
| H31 | C25 | C27 | H33 | 171.6° | 177.1° |
| H33 | C27 | O28 | H34 | 60.9° | 59.8° |
| H33 | C27 | C29 | H35 | 134.1° | 177.2° |
| H35 | C29 | O30 | H36 | 60.1° | 60.2° |
| H37 | C31 | O32 | H38 | 60.6° | 60.2° |
| H37 | C31 | C33 | H39 | 110.2° | 177.2° |
| H39 | C33 | O34 | H40 | 60.8° | 59.9° |
| H41 | C35 | C36 | H43 | 59.8° | 180.0° |
| H41 | C35 | C36 | H44 | 59.7° | 59.9° |
| H42 | C35 | C36 | H43 | 178.3° | 60.1° |
| H42 | C35 | C36 | H44 | 58.8° | 60.0° |
| H45 | C37 | C38 | H47 | 70.4° | 60.0° |
| H45 | C37 | C38 | H48 | 170.0° | 60.0° |
| H46 | C37 | C38 | H47 | 49.2° | 60.0° |
| H46 | C37 | C38 | H48 | 70.4° | 180.0° |
