2KB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.54Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| N35 | C34 | trip | 1.14Å | 1.16Å | |
| C4 | C5 | sing | 1.51Å | 1.55Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C28 | C26 | sing | 1.53Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.52Å | 1.51Å | |
| C34 | C33 | sing | 1.47Å | 1.22Å | |
| C31 | O19 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.58Å | |
| C11 | C12 | doub | 1.35Å | 1.38Å | |
| C11 | C10 | sing | 1.46Å | 1.42Å | |
| O19 | C15 | sing | 1.43Å | 1.44Å | |
| C20 | C5 | sing | 1.53Å | 1.53Å | |
| C14 | O30 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.56Å | 1.54Å | |
| C5 | C9 | sing | 1.52Å | 1.52Å | |
| C12 | C17 | sing | 1.48Å | 1.46Å | |
| C3 | C10 | doub | 1.33Å | 1.33Å | |
| C3 | C6 | sing | 1.50Å | 1.47Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C26 | O36 | sing | 1.43Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C21 | C9 | sing | 1.53Å | 1.57Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.55Å | 1.51Å | |
| C17 | C29 | doub | 1.33Å | 1.33Å | |
| C17 | C16 | sing | 1.52Å | 1.47Å | |
| C16 | O18 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.55Å | 1.55Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| O30 | H31 | sing | 0.97Å | 0.95Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| O18 | H33 | sing | 0.97Å | 0.95Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C11 | H36 | sing | 1.08Å | 1.08Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| O36 | H46 | sing | 0.97Å | 0.95Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C2 | 114.3° | 111.8° |
| C1 | C4 | C5 | 109.6° | 107.5° |
| C1 | C4 | H1 | 109.5° | 109.9° |
| C1 | C4 | H2 | 109.4° | 109.9° |
| C4 | C1 | H40 | 108.2° | 109.0° |
| C4 | C1 | H41 | 108.2° | 109.0° |
| C1 | C2 | C3 | 107.2° | 110.7° |
| C1 | C2 | H37 | 110.0° | 109.3° |
| C1 | C2 | H38 | 110.0° | 109.2° |
| C2 | C1 | H40 | 108.2° | 109.1° |
| C2 | C1 | H41 | 108.2° | 109.0° |
| N35 | C34 | C33 | 176.9° | 179.9° |
| C4 | C5 | C20 | 110.6° | 109.3° |
| C4 | C5 | C6 | 109.5° | 107.6° |
| C4 | C5 | C9 | 116.4° | 118.4° |
| C5 | C4 | H1 | 109.4° | 109.8° |
| C5 | C4 | H2 | 109.4° | 109.9° |
| C2 | C3 | C10 | 124.4° | 122.4° |
| C2 | C3 | C6 | 111.1° | 115.2° |
| C3 | C2 | H37 | 110.1° | 109.2° |
| C3 | C2 | H38 | 110.0° | 109.2° |
| C28 | C26 | O36 | 108.1° | 109.5° |
| C28 | C26 | C25 | 111.1° | 109.5° |
| C28 | C26 | C27 | 109.2° | 109.5° |
| C26 | C28 | H21 | 109.5° | 109.5° |
| C26 | C28 | H22 | 109.5° | 109.5° |
| C26 | C28 | H23 | 109.5° | 109.5° |
| C14 | C13 | C12 | 109.8° | 108.3° |
| C13 | C14 | O30 | 114.3° | 109.4° |
| C13 | C14 | C15 | 110.0° | 109.8° |
| C14 | C13 | H9 | 109.4° | 109.7° |
| C14 | C13 | H10 | 109.4° | 109.7° |
| C13 | C14 | H30 | 107.6° | 109.4° |
| C13 | C12 | C11 | 118.2° | 121.6° |
| C13 | C12 | C17 | 114.4° | 116.8° |
| C12 | C13 | H9 | 109.4° | 109.7° |
| C12 | C13 | H10 | 109.4° | 109.7° |
| C34 | C33 | C32 | 113.3° | 109.5° |
| C34 | C33 | H24 | 108.5° | 109.5° |
| C34 | C33 | H25 | 108.5° | 109.5° |
| O19 | C31 | C32 | 110.0° | 109.4° |
| C31 | O19 | C15 | 115.3° | 114.0° |
| O19 | C31 | H28 | 109.3° | 109.5° |
| O19 | C31 | H29 | 109.4° | 109.5° |
| C31 | C32 | C33 | 120.6° | 109.5° |
| C31 | C32 | H26 | 106.6° | 109.5° |
| C31 | C32 | H27 | 106.6° | 109.5° |
| C32 | C31 | H28 | 109.4° | 109.4° |
| C32 | C31 | H29 | 109.4° | 109.4° |
| C12 | C11 | C10 | 125.7° | 120.0° |
| C11 | C12 | C17 | 127.4° | 121.6° |
| C12 | C11 | H36 | 117.1° | 120.0° |
| C11 | C10 | C3 | 124.1° | 120.0° |
| C11 | C10 | H8 | 117.9° | 120.0° |
| C10 | C11 | H36 | 117.2° | 120.0° |
| O19 | C15 | C14 | 103.1° | 109.3° |
| O19 | C15 | C16 | 113.1° | 109.4° |
| O19 | C15 | H11 | 110.0° | 109.4° |
| C20 | C5 | C6 | 111.1° | 109.2° |
| C20 | C5 | C9 | 109.5° | 108.7° |
| C5 | C20 | H12 | 109.5° | 109.5° |
| C5 | C20 | H13 | 109.5° | 109.5° |
| C5 | C20 | H14 | 109.5° | 109.5° |
| O30 | C14 | C15 | 107.7° | 109.4° |
| O30 | C14 | H30 | 109.3° | 109.4° |
| C14 | O30 | H31 | 109.5° | 114.0° |
| C14 | C15 | C16 | 112.5° | 109.8° |
| C14 | C15 | H11 | 108.9° | 109.4° |
| C15 | C14 | H30 | 107.8° | 109.4° |
| C6 | C5 | C9 | 99.2° | 103.2° |
| C5 | C6 | C3 | 112.0° | 105.5° |
| C5 | C6 | C7 | 107.3° | 101.3° |
| C5 | C6 | H3 | 104.6° | 110.9° |
| C5 | C9 | C21 | 119.6° | 110.4° |
| C5 | C9 | C8 | 105.3° | 105.1° |
| C5 | C9 | H39 | 105.4° | 110.3° |
| C12 | C17 | C29 | 115.8° | 121.6° |
| C12 | C17 | C16 | 119.7° | 116.8° |
| C10 | C3 | C6 | 124.4° | 122.4° |
| C3 | C10 | H8 | 118.0° | 120.0° |
| C3 | C6 | C7 | 121.6° | 116.7° |
| C3 | C6 | H3 | 105.2° | 111.1° |
| C32 | C33 | H24 | 108.5° | 109.5° |
| C32 | C33 | H25 | 108.5° | 109.4° |
| C33 | C32 | H26 | 106.6° | 109.5° |
| C33 | C32 | H27 | 106.6° | 109.5° |
| O36 | C26 | C25 | 106.0° | 109.5° |
| O36 | C26 | C27 | 107.8° | 109.4° |
| C26 | O36 | H46 | 109.5° | 114.0° |
| C25 | C26 | C27 | 114.4° | 109.5° |
| C26 | C25 | C24 | 114.9° | 109.5° |
| C26 | C25 | H44 | 108.1° | 109.4° |
| C26 | C25 | H45 | 108.1° | 109.5° |
| C26 | C27 | H47 | 109.5° | 109.5° |
| C26 | C27 | H48 | 109.5° | 109.5° |
| C26 | C27 | H49 | 109.4° | 109.5° |
| C25 | C24 | C23 | 107.9° | 109.5° |
| C25 | C24 | H19 | 109.9° | 109.5° |
| C25 | C24 | H20 | 109.9° | 109.4° |
| C24 | C25 | H44 | 108.1° | 109.5° |
| C24 | C25 | H45 | 108.1° | 109.5° |
| C24 | C23 | C21 | 111.8° | 109.5° |
| C23 | C24 | H19 | 109.9° | 109.5° |
| C23 | C24 | H20 | 109.9° | 109.4° |
| C24 | C23 | H42 | 108.9° | 109.5° |
| C24 | C23 | H43 | 108.9° | 109.4° |
| C9 | C21 | C23 | 119.8° | 109.5° |
| C9 | C21 | C22 | 110.3° | 109.5° |
| C21 | C9 | C8 | 114.8° | 110.3° |
| C9 | C21 | H15 | 106.4° | 109.5° |
| C21 | C9 | H39 | 104.9° | 110.3° |
| C23 | C21 | C22 | 106.0° | 109.4° |
| C23 | C21 | H15 | 107.0° | 109.5° |
| C21 | C23 | H42 | 108.9° | 109.4° |
| C21 | C23 | H43 | 108.9° | 109.5° |
| C22 | C21 | H15 | 106.7° | 109.4° |
| C21 | C22 | H16 | 109.5° | 109.4° |
| C21 | C22 | H17 | 109.5° | 109.4° |
| C21 | C22 | H18 | 109.5° | 109.5° |
| C6 | C7 | C8 | 100.2° | 102.7° |
| C7 | C6 | H3 | 104.6° | 110.8° |
| C6 | C7 | H4 | 111.7° | 110.8° |
| C6 | C7 | H5 | 111.7° | 110.7° |
| C15 | C16 | C17 | 109.2° | 108.4° |
| C15 | C16 | O18 | 113.1° | 109.7° |
| C16 | C15 | H11 | 109.0° | 109.5° |
| C15 | C16 | H32 | 108.6° | 109.7° |
| C9 | C8 | C7 | 109.3° | 106.3° |
| C9 | C8 | H6 | 109.5° | 110.0° |
| C9 | C8 | H7 | 109.5° | 110.1° |
| C8 | C9 | H39 | 105.5° | 110.4° |
| C29 | C17 | C16 | 123.8° | 121.6° |
| C17 | C29 | H34 | 120.0° | 120.0° |
| C17 | C29 | H35 | 120.0° | 120.0° |
| C17 | C16 | O18 | 106.7° | 109.7° |
| C17 | C16 | H32 | 109.2° | 109.7° |
| O18 | C16 | H32 | 110.0° | 109.7° |
| C16 | O18 | H33 | 109.5° | 114.0° |
| C8 | C7 | H4 | 111.7° | 110.8° |
| C8 | C7 | H5 | 111.7° | 110.8° |
| C7 | C8 | H6 | 109.5° | 110.1° |
| C7 | C8 | H7 | 109.5° | 110.1° |
| H1 | C4 | H2 | 109.5° | 109.8° |
| H4 | C7 | H5 | 109.5° | 110.8° |
| H6 | C8 | H7 | 109.5° | 110.1° |
| H9 | C13 | H10 | 109.5° | 109.7° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H12 | C20 | H14 | 109.4° | 109.4° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H16 | C22 | H18 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.4° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.4° |
| H21 | C28 | H23 | 109.4° | 109.5° |
| H22 | C28 | H23 | 109.4° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.5° |
| H26 | C32 | H27 | 109.5° | 109.4° |
| H28 | C31 | H29 | 109.4° | 109.5° |
| H34 | C29 | H35 | 120.0° | 120.0° |
| H37 | C2 | H38 | 109.5° | 109.2° |
| H40 | C1 | H41 | 109.5° | 108.9° |
| H42 | C23 | H43 | 109.5° | 109.5° |
| H44 | C25 | H45 | 109.5° | 109.4° |
| H47 | C27 | H48 | 109.5° | 109.5° |
| H47 | C27 | H49 | 109.4° | 109.4° |
| H48 | C27 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C2 | H40 | 120.7° | 120.6° |
| C4 | C1 | C2 | H41 | 120.7° | 120.5° |
| C1 | C4 | C5 | H1 | 120.0° | 119.5° |
| C1 | C4 | C5 | H2 | 120.0° | 119.6° |
| C4 | C1 | C2 | C3 | 55.9° | 48.6° |
| C1 | C4 | C5 | C20 | 70.6° | 50.4° |
| C1 | C4 | C5 | C6 | 52.1° | 68.1° |
| C1 | C4 | C5 | C9 | 163.6° | 175.6° |
| C1 | C4 | H1 | H2 | 120.0° | 121.0° |
| C4 | C1 | C2 | H37 | 175.6° | 71.7° |
| C4 | C1 | C2 | H38 | 63.8° | 168.9° |
| C4 | C1 | H40 | H41 | 117.8° | 118.8° |
| C2 | C1 | C4 | C5 | 53.9° | 59.1° |
| C1 | C2 | C3 | H37 | 119.7° | 120.4° |
| C1 | C2 | C3 | H38 | 119.6° | 120.2° |
| C1 | C2 | C3 | C10 | 118.1° | 129.8° |
| C1 | C2 | C3 | C6 | 58.8° | 50.3° |
| C2 | C1 | C4 | H1 | 66.1° | 178.6° |
| C2 | C1 | C4 | H2 | 173.9° | 60.5° |
| C1 | C2 | H37 | H38 | 121.0° | 119.4° |
| C2 | C1 | H40 | H41 | 117.8° | 118.9° |
| N35 | C34 | C33 | C32 | 47.2° | 73.3° |
| N35 | C34 | C33 | H24 | 167.8° | 166.7° |
| N35 | C34 | C33 | H25 | 73.3° | 46.7° |
| C4 | C5 | C20 | C6 | 121.8° | 117.5° |
| C4 | C5 | C20 | C9 | 129.6° | 130.6° |
| C4 | C5 | C6 | C9 | 122.4° | 125.9° |
| C4 | C5 | C6 | C3 | 58.2° | 66.5° |
| C4 | C5 | C9 | C21 | 73.8° | 92.2° |
| C4 | C5 | C6 | C7 | 165.9° | 171.5° |
| C4 | C5 | C9 | C8 | 155.2° | 148.9° |
| C5 | C4 | H1 | H2 | 119.9° | 120.9° |
| C4 | C5 | C6 | H3 | 55.3° | 53.9° |
| C4 | C5 | C20 | H12 | 180.0° | 66.1° |
| C4 | C5 | C20 | H13 | 60.0° | 173.9° |
| C4 | C5 | C20 | H14 | 60.0° | 53.9° |
| C4 | C5 | C9 | H39 | 43.8° | 29.9° |
| C5 | C4 | C1 | H40 | 66.8° | 61.6° |
| C5 | C4 | C1 | H41 | 174.6° | 179.7° |
| C2 | C3 | C10 | C11 | 0.7° | 0.1° |
| C2 | C3 | C6 | C5 | 62.7° | 58.2° |
| C2 | C3 | C10 | C6 | 176.5° | 179.9° |
| C2 | C3 | C6 | C7 | 168.6° | 169.7° |
| C2 | C3 | C6 | H3 | 50.4° | 62.1° |
| C2 | C3 | C10 | H8 | 179.3° | 180.0° |
| C3 | C2 | H37 | H38 | 121.1° | 119.4° |
| C3 | C2 | C1 | H40 | 64.8° | 72.0° |
| C3 | C2 | C1 | H41 | 176.6° | 169.2° |
| C28 | C26 | O36 | C25 | 119.2° | 120.0° |
| C28 | C26 | O36 | C27 | 117.9° | 120.0° |
| C28 | C26 | C25 | C27 | 124.1° | 120.0° |
| C28 | C26 | C25 | C24 | 63.2° | 60.0° |
| C26 | C28 | H21 | H22 | 120.0° | 120.0° |
| C26 | C28 | H21 | H23 | 120.0° | 120.0° |
| C26 | C28 | H22 | H23 | 120.0° | 120.0° |
| C28 | C26 | C25 | H44 | 176.0° | 60.1° |
| C28 | C26 | C25 | H45 | 57.6° | 180.0° |
| C28 | C26 | O36 | H46 | 180.0° | 180.0° |
| C28 | C26 | C27 | H47 | 180.0° | 60.0° |
| C28 | C26 | C27 | H48 | 60.0° | 60.0° |
| C28 | C26 | C27 | H49 | 60.0° | 179.9° |
| C14 | C13 | C12 | H9 | 120.0° | 119.7° |
| C14 | C13 | C12 | H10 | 120.0° | 119.7° |
| C14 | C13 | C12 | C11 | 134.7° | 133.4° |
| C13 | C14 | C15 | O19 | 62.1° | 173.7° |
| C13 | C14 | O30 | C15 | 122.5° | 120.3° |
| C13 | C14 | O30 | H30 | 120.6° | 119.9° |
| C13 | C14 | C15 | H30 | 117.0° | 120.1° |
| C14 | C13 | C12 | C17 | 47.1° | 46.6° |
| C13 | C14 | C15 | C16 | 60.1° | 66.3° |
| C14 | C13 | H9 | H10 | 119.8° | 120.6° |
| C13 | C14 | C15 | H11 | 178.9° | 53.9° |
| C13 | C14 | O30 | H31 | 180.0° | 60.0° |
| C13 | C12 | C11 | C17 | 178.0° | 179.9° |
| C13 | C12 | C11 | C10 | 176.8° | 179.9° |
| C12 | C13 | C14 | O30 | 65.8° | 177.8° |
| C12 | C13 | C14 | C15 | 55.5° | 57.7° |
| C13 | C12 | C17 | C29 | 127.0° | 136.9° |
| C13 | C12 | C17 | C16 | 44.2° | 43.1° |
| C12 | C13 | H9 | H10 | 119.9° | 120.5° |
| C12 | C13 | C14 | H30 | 172.6° | 62.4° |
| C13 | C12 | C11 | H36 | 3.3° | 0.0° |
| C34 | C33 | C32 | C31 | 7.3° | 180.0° |
| C34 | C33 | C32 | H24 | 120.6° | 120.0° |
| C34 | C33 | C32 | H25 | 120.6° | 120.0° |
| C34 | C33 | H24 | H25 | 118.3° | 120.0° |
| C34 | C33 | C32 | H26 | 128.8° | 60.0° |
| C34 | C33 | C32 | H27 | 114.3° | 60.0° |
| O19 | C31 | C32 | H28 | 120.1° | 120.0° |
| O19 | C31 | C32 | H29 | 120.1° | 120.0° |
| C31 | O19 | C15 | C14 | 107.8° | 149.7° |
| O19 | C31 | C32 | C33 | 157.4° | 180.0° |
| C31 | O19 | C15 | C16 | 130.4° | 90.0° |
| C31 | O19 | C15 | H11 | 8.2° | 29.9° |
| O19 | C31 | C32 | H26 | 35.8° | 60.0° |
| O19 | C31 | C32 | H27 | 81.1° | 60.0° |
| O19 | C31 | H28 | H29 | 119.8° | 120.1° |
| C32 | C31 | O19 | C15 | 3.6° | 180.0° |
| C31 | C32 | C33 | H26 | 121.6° | 120.0° |
| C31 | C32 | C33 | H27 | 121.6° | 120.0° |
| C31 | C32 | C33 | H24 | 127.8° | 60.0° |
| C31 | C32 | C33 | H25 | 113.3° | 60.0° |
| C31 | C32 | H26 | H27 | 115.0° | 120.0° |
| C32 | C31 | H28 | H29 | 119.8° | 120.0° |
| C12 | C11 | C10 | H36 | 180.0° | 180.0° |
| C12 | C11 | C10 | C3 | 161.3° | 179.9° |
| C11 | C12 | C17 | C29 | 51.1° | 43.1° |
| C11 | C12 | C17 | C16 | 137.8° | 137.0° |
| C12 | C11 | C10 | H8 | 18.7° | 0.0° |
| C11 | C12 | C13 | H9 | 14.6° | 106.8° |
| C11 | C12 | C13 | H10 | 105.3° | 13.7° |
| C10 | C11 | C12 | C17 | 1.2° | 0.0° |
| C11 | C10 | C3 | H8 | 180.0° | 179.9° |
| C11 | C10 | C3 | C6 | 177.2° | 180.0° |
| O19 | C15 | C14 | O30 | 172.8° | 53.6° |
| O19 | C15 | C14 | C16 | 122.2° | 120.1° |
| O19 | C15 | C14 | H11 | 116.8° | 119.8° |
| O19 | C15 | C16 | H11 | 122.8° | 119.9° |
| O19 | C15 | C16 | C17 | 64.1° | 177.7° |
| O19 | C15 | C16 | O18 | 54.6° | 58.0° |
| C15 | O19 | C31 | H28 | 116.5° | 60.0° |
| C15 | O19 | C31 | H29 | 123.7° | 60.0° |
| O19 | C15 | C14 | H30 | 54.9° | 66.2° |
| O19 | C15 | C16 | H32 | 177.0° | 62.5° |
| C20 | C5 | C6 | C9 | 115.1° | 115.5° |
| C20 | C5 | C6 | C3 | 64.3° | 52.0° |
| C20 | C5 | C9 | C21 | 52.5° | 33.3° |
| C20 | C5 | C6 | C7 | 71.6° | 70.0° |
| C20 | C5 | C9 | C8 | 78.5° | 85.6° |
| C20 | C5 | C4 | H1 | 169.3° | 69.1° |
| C20 | C5 | C4 | H2 | 49.4° | 170.0° |
| C20 | C5 | C6 | H3 | 177.7° | 172.4° |
| C5 | C20 | H12 | H13 | 120.0° | 120.0° |
| C5 | C20 | H12 | H14 | 120.0° | 120.0° |
| C5 | C20 | H13 | H14 | 120.0° | 120.0° |
| C20 | C5 | C9 | H39 | 170.1° | 155.4° |
| O30 | C14 | C15 | H30 | 117.9° | 119.8° |
| O30 | C14 | C15 | C16 | 65.0° | 173.7° |
| O30 | C14 | C13 | H9 | 54.3° | 58.1° |
| O30 | C14 | C13 | H10 | 174.2° | 62.5° |
| O30 | C14 | C15 | H11 | 56.0° | 66.2° |
| C14 | C15 | C16 | H11 | 120.9° | 120.1° |
| C14 | C15 | C16 | C17 | 52.3° | 57.7° |
| C14 | C15 | C16 | O18 | 170.9° | 62.0° |
| C15 | C14 | C13 | H9 | 175.5° | 62.0° |
| C15 | C14 | C13 | H10 | 64.6° | 177.4° |
| C15 | C14 | O30 | H31 | 57.5° | 179.7° |
| C14 | C15 | C16 | H32 | 66.7° | 177.4° |
| C5 | C6 | C3 | C10 | 114.2° | 121.9° |
| C5 | C6 | C3 | C7 | 128.7° | 111.5° |
| C5 | C6 | C3 | H3 | 113.0° | 120.3° |
| C6 | C5 | C9 | C21 | 168.9° | 149.1° |
| C5 | C6 | C7 | H3 | 110.7° | 117.7° |
| C6 | C5 | C9 | C8 | 37.9° | 30.2° |
| C5 | C6 | C7 | C8 | 30.8° | 42.3° |
| C6 | C5 | C4 | H1 | 67.9° | 172.4° |
| C6 | C5 | C4 | H2 | 172.1° | 51.5° |
| C5 | C6 | C7 | H4 | 87.6° | 76.0° |
| C5 | C6 | C7 | H5 | 149.3° | 160.6° |
| C6 | C5 | C20 | H12 | 58.2° | 51.4° |
| C6 | C5 | C20 | H13 | 178.2° | 68.6° |
| C6 | C5 | C20 | H14 | 61.8° | 171.3° |
| C6 | C5 | C9 | H39 | 73.5° | 88.8° |
| C9 | C5 | C6 | C3 | 179.4° | 167.6° |
| C5 | C9 | C21 | C8 | 126.7° | 115.6° |
| C5 | C9 | C21 | H39 | 117.9° | 122.1° |
| C5 | C9 | C21 | C23 | 79.0° | 174.2° |
| C5 | C9 | C21 | C22 | 157.6° | 65.8° |
| C9 | C5 | C6 | C7 | 43.5° | 45.6° |
| C5 | C9 | C8 | H39 | 111.3° | 118.9° |
| C5 | C9 | C8 | C7 | 20.6° | 3.9° |
| C9 | C5 | C4 | H1 | 43.6° | 56.1° |
| C9 | C5 | C4 | H2 | 76.4° | 64.8° |
| C9 | C5 | C6 | H3 | 67.1° | 72.0° |
| C5 | C9 | C8 | H6 | 140.6° | 115.3° |
| C5 | C9 | C8 | H7 | 99.3° | 123.2° |
| C9 | C5 | C20 | H12 | 50.4° | 163.3° |
| C9 | C5 | C20 | H13 | 69.6° | 43.3° |
| C9 | C5 | C20 | H14 | 170.4° | 76.8° |
| C5 | C9 | C21 | H15 | 42.3° | 54.2° |
| C12 | C17 | C16 | C15 | 44.9° | 46.6° |
| C12 | C17 | C29 | C16 | 170.8° | 180.0° |
| C12 | C17 | C16 | O18 | 167.4° | 73.1° |
| C17 | C12 | C13 | H9 | 167.1° | 73.1° |
| C17 | C12 | C13 | H10 | 72.9° | 166.3° |
| C12 | C17 | C16 | H32 | 73.7° | 166.3° |
| C12 | C17 | C29 | H34 | 170.8° | 180.0° |
| C12 | C17 | C29 | H35 | 9.3° | 0.0° |
| C17 | C12 | C11 | H36 | 178.8° | 180.0° |
| C10 | C3 | C6 | C7 | 14.5° | 10.4° |
| C10 | C3 | C6 | H3 | 132.7° | 117.8° |
| C3 | C10 | C11 | H36 | 18.7° | 0.1° |
| C10 | C3 | C2 | H37 | 1.5° | 109.8° |
| C10 | C3 | C2 | H38 | 122.2° | 9.6° |
| C3 | C6 | C7 | H3 | 118.6° | 128.4° |
| C3 | C6 | C7 | C8 | 161.6° | 156.2° |
| C3 | C6 | C7 | H4 | 43.1° | 37.9° |
| C3 | C6 | C7 | H5 | 80.0° | 85.5° |
| C6 | C3 | C10 | H8 | 2.8° | 0.1° |
| C6 | C3 | C2 | H37 | 178.4° | 70.1° |
| C6 | C3 | C2 | H38 | 60.9° | 170.5° |
| C32 | C33 | H24 | H25 | 118.2° | 119.9° |
| C33 | C32 | H26 | H27 | 114.9° | 120.0° |
| C33 | C32 | C31 | H28 | 82.5° | 60.0° |
| C33 | C32 | C31 | H29 | 37.3° | 60.0° |
| O36 | C26 | C25 | C27 | 118.6° | 120.0° |
| O36 | C26 | C25 | C24 | 179.6° | 60.0° |
| O36 | C26 | C28 | H21 | 180.0° | 60.1° |
| O36 | C26 | C28 | H22 | 60.0° | 180.0° |
| O36 | C26 | C28 | H23 | 60.0° | 60.0° |
| O36 | C26 | C25 | H44 | 58.8° | 179.9° |
| O36 | C26 | C25 | H45 | 59.6° | 60.0° |
| O36 | C26 | C27 | H47 | 62.7° | 60.0° |
| O36 | C26 | C27 | H48 | 177.2° | 180.0° |
| O36 | C26 | C27 | H49 | 57.2° | 60.0° |
| C26 | C25 | C24 | H44 | 120.8° | 120.0° |
| C26 | C25 | C24 | H45 | 120.8° | 120.0° |
| C26 | C25 | C24 | C23 | 172.3° | 180.0° |
| C26 | C25 | C24 | H19 | 67.9° | 60.0° |
| C26 | C25 | C24 | H20 | 52.5° | 60.0° |
| C25 | C26 | C28 | H21 | 64.1° | 59.9° |
| C25 | C26 | C28 | H22 | 56.0° | 60.0° |
| C25 | C26 | C28 | H23 | 175.9° | 180.0° |
| C26 | C25 | H44 | H45 | 117.5° | 119.9° |
| C25 | C26 | O36 | H46 | 60.8° | 60.0° |
| C25 | C26 | C27 | H47 | 54.9° | 180.0° |
| C25 | C26 | C27 | H48 | 65.1° | 60.0° |
| C25 | C26 | C27 | H49 | 174.9° | 60.0° |
| C27 | C26 | C25 | C24 | 61.0° | 180.0° |
| C27 | C26 | C28 | H21 | 63.0° | 180.0° |
| C27 | C26 | C28 | H22 | 177.0° | 60.0° |
| C27 | C26 | C28 | H23 | 57.0° | 60.0° |
| C27 | C26 | C25 | H44 | 59.9° | 60.0° |
| C27 | C26 | C25 | H45 | 178.3° | 60.0° |
| C27 | C26 | O36 | H46 | 62.1° | 60.0° |
| C26 | C27 | H47 | H48 | 120.0° | 120.0° |
| C26 | C27 | H47 | H49 | 120.0° | 120.0° |
| C26 | C27 | H48 | H49 | 120.0° | 120.0° |
| C25 | C24 | C23 | H19 | 119.8° | 120.0° |
| C25 | C24 | C23 | H20 | 119.8° | 119.9° |
| C25 | C24 | C23 | C21 | 171.0° | 180.0° |
| C25 | C24 | H19 | H20 | 120.7° | 120.0° |
| C25 | C24 | C23 | H42 | 68.6° | 60.0° |
| C25 | C24 | C23 | H43 | 50.7° | 60.1° |
| C24 | C25 | H44 | H45 | 117.5° | 120.0° |
| C24 | C23 | C21 | C9 | 164.9° | 175.0° |
| C24 | C23 | C21 | H42 | 120.3° | 120.0° |
| C24 | C23 | C21 | H43 | 120.3° | 120.0° |
| C24 | C23 | C21 | C22 | 69.6° | 65.0° |
| C24 | C23 | C21 | H15 | 43.9° | 55.0° |
| C23 | C24 | H19 | H20 | 120.7° | 120.0° |
| C24 | C23 | H42 | H43 | 118.9° | 120.0° |
| C23 | C24 | C25 | H44 | 51.5° | 60.0° |
| C23 | C24 | C25 | H45 | 66.9° | 60.0° |
| C9 | C21 | C23 | C22 | 125.4° | 120.0° |
| C9 | C21 | C23 | H15 | 121.0° | 120.1° |
| C9 | C21 | C22 | H15 | 115.1° | 120.0° |
| C21 | C9 | C8 | H39 | 115.0° | 122.2° |
| C21 | C9 | C8 | C7 | 154.4° | 122.9° |
| C21 | C9 | C8 | H6 | 85.7° | 3.7° |
| C21 | C9 | C8 | H7 | 34.4° | 117.9° |
| C9 | C21 | C22 | H16 | 180.0° | 56.2° |
| C9 | C21 | C22 | H17 | 60.0° | 63.7° |
| C9 | C21 | C22 | H18 | 60.0° | 176.2° |
| C9 | C21 | C23 | H42 | 74.7° | 55.0° |
| C9 | C21 | C23 | H43 | 44.6° | 65.0° |
| C23 | C21 | C22 | H15 | 113.8° | 119.9° |
| C23 | C21 | C9 | C8 | 47.7° | 58.5° |
| C23 | C21 | C22 | H16 | 48.9° | 63.8° |
| C23 | C21 | C22 | H17 | 71.1° | 176.2° |
| C23 | C21 | C22 | H18 | 168.9° | 56.2° |
| C21 | C23 | C24 | H19 | 51.3° | 60.0° |
| C21 | C23 | C24 | H20 | 69.2° | 60.0° |
| C23 | C21 | C9 | H39 | 163.1° | 63.7° |
| C21 | C23 | H42 | H43 | 119.0° | 120.0° |
| C22 | C21 | C9 | C8 | 75.7° | 178.5° |
| C21 | C22 | H16 | H17 | 120.0° | 119.9° |
| C21 | C22 | H16 | H18 | 120.0° | 120.1° |
| C21 | C22 | H17 | H18 | 120.0° | 120.0° |
| C22 | C21 | C9 | H39 | 39.7° | 56.3° |
| C22 | C21 | C23 | H42 | 50.7° | 175.1° |
| C22 | C21 | C23 | H43 | 170.0° | 55.0° |
| C6 | C7 | C8 | C9 | 6.1° | 24.2° |
| C6 | C7 | C8 | H4 | 118.5° | 118.3° |
| C6 | C7 | C8 | H5 | 118.5° | 118.2° |
| C6 | C7 | H4 | H5 | 124.4° | 123.3° |
| C6 | C7 | C8 | H6 | 113.9° | 143.4° |
| C6 | C7 | C8 | H7 | 126.1° | 95.1° |
| C15 | C16 | C17 | C29 | 125.5° | 133.3° |
| C15 | C16 | C17 | O18 | 122.6° | 119.7° |
| C15 | C16 | C17 | H32 | 118.6° | 119.7° |
| C15 | C16 | O18 | H32 | 121.6° | 120.6° |
| C16 | C15 | C14 | H30 | 177.1° | 53.8° |
| C15 | C16 | O18 | H33 | 180.0° | 180.0° |
| C9 | C8 | C7 | H6 | 120.0° | 119.2° |
| C9 | C8 | C7 | H7 | 120.0° | 119.3° |
| C9 | C8 | C7 | H4 | 112.3° | 94.1° |
| C9 | C8 | C7 | H5 | 124.6° | 142.4° |
| C9 | C8 | H6 | H7 | 120.0° | 121.6° |
| C8 | C9 | C21 | H15 | 169.0° | 61.5° |
| C29 | C17 | C16 | O18 | 3.0° | 106.9° |
| C29 | C17 | C16 | H32 | 115.9° | 13.6° |
| C17 | C29 | H34 | H35 | 180.0° | 180.0° |
| C17 | C16 | O18 | H32 | 118.3° | 120.5° |
| C17 | C16 | C15 | H11 | 173.2° | 62.4° |
| C17 | C16 | O18 | H33 | 59.9° | 61.1° |
| C16 | C17 | C29 | H34 | 0.0° | 0.0° |
| C16 | C17 | C29 | H35 | 180.0° | 180.0° |
| O18 | C16 | C15 | H11 | 68.2° | 177.9° |
| C8 | C7 | C6 | H3 | 79.8° | 75.4° |
| C8 | C7 | H4 | H5 | 124.3° | 123.4° |
| C7 | C8 | H6 | H7 | 120.1° | 121.6° |
| C7 | C8 | C9 | H39 | 90.6° | 115.0° |
| H1 | C4 | C1 | H40 | 173.2° | 57.9° |
| H1 | C4 | C1 | H41 | 54.6° | 60.9° |
| H2 | C4 | C1 | H40 | 53.2° | 178.9° |
| H2 | C4 | C1 | H41 | 65.4° | 60.1° |
| H3 | C6 | C7 | H4 | 161.7° | 166.2° |
| H3 | C6 | C7 | H5 | 38.6° | 42.9° |
| H4 | C7 | C8 | H6 | 127.7° | 25.0° |
| H4 | C7 | C8 | H7 | 7.6° | 146.6° |
| H5 | C7 | C8 | H6 | 4.6° | 98.4° |
| H5 | C7 | C8 | H7 | 115.4° | 23.2° |
| H6 | C8 | C9 | H39 | 29.4° | 125.8° |
| H7 | C8 | C9 | H39 | 149.4° | 4.3° |
| H8 | C10 | C11 | H36 | 161.3° | 180.0° |
| H9 | C13 | C14 | H30 | 67.3° | 177.9° |
| H10 | C13 | C14 | H30 | 52.6° | 57.3° |
| H11 | C15 | C14 | H30 | 61.9° | 174.0° |
| H11 | C15 | C16 | H32 | 54.2° | 57.3° |
| H12 | C20 | H13 | H14 | 119.9° | 120.0° |
| H15 | C21 | C22 | H16 | 64.9° | 176.2° |
| H15 | C21 | C22 | H17 | 175.1° | 56.3° |
| H15 | C21 | C22 | H18 | 55.1° | 63.7° |
| H15 | C21 | C9 | H39 | 75.6° | 176.3° |
| H15 | C21 | C23 | H42 | 164.3° | 65.0° |
| H15 | C21 | C23 | H43 | 76.4° | 174.9° |
| H16 | C22 | H17 | H18 | 120.0° | 120.0° |
| H19 | C24 | C23 | H42 | 171.6° | 180.0° |
| H19 | C24 | C23 | H43 | 69.0° | 60.0° |
| H19 | C24 | C25 | H44 | 171.3° | 180.0° |
| H19 | C24 | C25 | H45 | 52.9° | 60.0° |
| H20 | C24 | C23 | H42 | 51.2° | 59.9° |
| H20 | C24 | C23 | H43 | 170.5° | 180.0° |
| H20 | C24 | C25 | H44 | 68.3° | 60.0° |
| H20 | C24 | C25 | H45 | 173.3° | 180.0° |
| H21 | C28 | H22 | H23 | 120.0° | 120.0° |
| H24 | C33 | C32 | H26 | 110.6° | 180.0° |
| H24 | C33 | C32 | H27 | 6.3° | 60.0° |
| H25 | C33 | C32 | H26 | 8.3° | 60.0° |
| H25 | C33 | C32 | H27 | 125.1° | 180.0° |
| H26 | C32 | C31 | H28 | 155.9° | 179.9° |
| H26 | C32 | C31 | H29 | 84.3° | 60.0° |
| H27 | C32 | C31 | H28 | 39.0° | 60.0° |
| H27 | C32 | C31 | H29 | 158.9° | 180.0° |
| H30 | C14 | O30 | H31 | 59.4° | 59.9° |
| H32 | C16 | O18 | H33 | 58.4° | 59.4° |
| H37 | C2 | C1 | H40 | 54.8° | 167.7° |
| H37 | C2 | C1 | H41 | 63.7° | 48.8° |
| H38 | C2 | C1 | H40 | 175.5° | 48.2° |
| H38 | C2 | C1 | H41 | 57.0° | 70.6° |
| H47 | C27 | H48 | H49 | 120.0° | 120.0° |
