YC0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | sing | 1.52Å | 1.56Å | |
| C19 | C17 | sing | 1.52Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| O6 | C32 | doub | 1.21Å | 1.20Å | |
| C16 | C15 | sing | 1.52Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C31 | O4 | sing | 1.43Å | 1.40Å | |
| C31 | C30 | sing | 1.53Å | 1.49Å | |
| C15 | C11 | sing | 1.53Å | 1.52Å | |
| N1 | C21 | sing | 1.46Å | 1.48Å | |
| N1 | C29 | sing | 1.35Å | 1.48Å | |
| N2 | C30 | sing | 1.47Å | 1.46Å | |
| N2 | C29 | sing | 1.35Å | 1.48Å | |
| C17 | C26 | sing | 1.55Å | 1.55Å | |
| C17 | C18 | sing | 1.52Å | 1.52Å | |
| C21 | C28 | sing | 1.55Å | 1.53Å | |
| C21 | C22 | sing | 1.52Å | 1.58Å | |
| C32 | C30 | sing | 1.51Å | 1.54Å | |
| C32 | O5 | sing | 1.34Å | 1.40Å | |
| C27 | C12 | sing | 1.53Å | 1.54Å | |
| C29 | O3 | doub | 1.22Å | 1.19Å | |
| C8 | C7 | sing | 1.40Å | 1.43Å | |
| C8 | C9 | doub | 1.34Å | 1.50Å | |
| C7 | C2 | doub | 1.40Å | 1.44Å | |
| C18 | C12 | sing | 1.51Å | 1.57Å | |
| C18 | C22 | sing | 1.52Å | 1.57Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C11 | C9 | sing | 1.51Å | 1.55Å | |
| C11 | C25 | sing | 1.53Å | 1.56Å | |
| C23 | C1 | sing | 1.51Å | 1.54Å | |
| C33 | O5 | sing | 1.45Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.50Å | 1.58Å | |
| C2 | C1 | sing | 1.41Å | 1.58Å | |
| C2 | C3 | sing | 1.41Å | 1.52Å | |
| C1 | C6 | doub | 1.36Å | 1.46Å | |
| C13 | C14 | sing | 1.52Å | 1.54Å | |
| C10 | C3 | sing | 1.51Å | 1.59Å | |
| C10 | C14 | sing | 1.52Å | 1.46Å | |
| C10 | C24 | sing | 1.54Å | 1.55Å | |
| C3 | C4 | doub | 1.36Å | 1.49Å | |
| C6 | O2 | sing | 1.36Å | 1.42Å | |
| C6 | C5 | sing | 1.41Å | 1.54Å | |
| C4 | C5 | sing | 1.41Å | 1.50Å | |
| C5 | O1 | doub | 1.22Å | 1.39Å | |
| C13 | H1 | sing | 1.08Å | 1.10Å | |
| C13 | H2 | sing | 1.10Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.11Å | 1.10Å | |
| C15 | H5 | sing | 1.10Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.10Å | 1.10Å | |
| C18 | H9 | sing | 1.13Å | 1.10Å | |
| C19 | H10 | sing | 1.10Å | 1.10Å | |
| C19 | H11 | sing | 1.08Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.10Å | 1.10Å | |
| C22 | H14 | sing | 1.10Å | 1.10Å | |
| C22 | H15 | sing | 1.10Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C4 | H40 | sing | 1.08Å | 1.08Å | |
| C7 | H41 | sing | 1.08Å | 1.08Å | |
| C8 | H43 | sing | 1.08Å | 1.08Å | |
| N1 | H44 | sing | 0.97Å | 1.00Å | |
| N2 | H45 | sing | 0.97Å | 1.00Å | |
| O2 | H47 | sing | 0.97Å | 0.95Å | |
| O4 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C17 | 111.0° | 110.1° |
| C19 | C20 | C21 | 110.4° | 111.6° |
| C20 | C19 | H10 | 109.1° | 108.3° |
| C20 | C19 | H11 | 109.1° | 110.8° |
| C19 | C20 | H12 | 109.2° | 111.4° |
| C19 | C20 | H13 | 109.2° | 108.1° |
| C19 | C17 | C16 | 109.9° | 110.4° |
| C19 | C17 | C26 | 107.3° | 107.6° |
| C19 | C17 | C18 | 111.8° | 112.1° |
| C17 | C19 | H10 | 109.1° | 108.4° |
| C17 | C19 | H11 | 109.1° | 111.7° |
| C20 | C21 | N1 | 106.1° | 110.7° |
| C20 | C21 | C28 | 110.0° | 106.6° |
| C20 | C21 | C22 | 110.8° | 113.2° |
| C21 | C20 | H12 | 109.2° | 110.4° |
| C21 | C20 | H13 | 109.2° | 108.1° |
| O6 | C32 | C30 | 121.6° | 120.0° |
| O6 | C32 | O5 | 119.1° | 120.0° |
| C15 | C16 | C17 | 116.3° | 113.0° |
| C16 | C15 | C11 | 112.0° | 109.8° |
| C16 | C15 | H5 | 108.8° | 108.1° |
| C16 | C15 | H6 | 108.8° | 110.9° |
| C15 | C16 | H7 | 107.7° | 110.8° |
| C15 | C16 | H8 | 107.7° | 108.3° |
| C16 | C17 | C26 | 108.0° | 105.6° |
| C16 | C17 | C18 | 113.3° | 113.4° |
| C17 | C16 | H7 | 107.7° | 109.8° |
| C17 | C16 | H8 | 107.7° | 108.0° |
| O4 | C31 | C30 | 107.4° | 109.4° |
| O4 | C31 | H35 | 110.0° | 109.5° |
| O4 | C31 | H36 | 110.0° | 109.5° |
| C31 | O4 | H48 | 109.5° | 113.9° |
| C31 | C30 | N2 | 112.1° | 109.5° |
| C31 | C30 | C32 | 109.5° | 109.5° |
| C31 | C30 | H34 | 111.4° | 109.5° |
| C30 | C31 | H35 | 110.0° | 109.4° |
| C30 | C31 | H36 | 110.0° | 109.4° |
| C15 | C11 | C12 | 105.5° | 108.3° |
| C15 | C11 | C9 | 112.4° | 110.3° |
| C15 | C11 | C25 | 106.2° | 108.7° |
| C11 | C15 | H5 | 108.8° | 108.1° |
| C11 | C15 | H6 | 108.8° | 111.8° |
| C21 | N1 | C29 | 125.6° | 120.0° |
| N1 | C21 | C28 | 109.7° | 106.3° |
| N1 | C21 | C22 | 109.3° | 112.6° |
| C21 | N1 | H44 | 117.3° | 120.0° |
| N1 | C29 | N2 | 112.2° | 120.0° |
| N1 | C29 | O3 | 125.3° | 120.0° |
| C29 | N1 | H44 | 117.2° | 120.0° |
| C30 | N2 | C29 | 121.5° | 120.0° |
| N2 | C30 | C32 | 100.7° | 109.5° |
| N2 | C30 | H34 | 111.9° | 109.4° |
| C30 | N2 | H45 | 119.2° | 120.0° |
| N2 | C29 | O3 | 122.4° | 120.0° |
| C29 | N2 | H45 | 119.3° | 120.0° |
| C26 | C17 | C18 | 106.2° | 107.3° |
| C17 | C26 | H25 | 109.5° | 109.5° |
| C17 | C26 | H26 | 109.5° | 109.5° |
| C17 | C26 | H27 | 109.5° | 109.4° |
| C17 | C18 | C12 | 116.5° | 115.7° |
| C17 | C18 | C22 | 113.3° | 112.3° |
| C17 | C18 | H9 | 105.1° | 104.2° |
| C28 | C21 | C22 | 110.8° | 106.9° |
| C21 | C28 | H31 | 109.5° | 109.5° |
| C21 | C28 | H32 | 109.5° | 109.5° |
| C21 | C28 | H33 | 109.5° | 109.5° |
| C21 | C22 | C18 | 122.0° | 117.0° |
| C21 | C22 | H14 | 106.3° | 108.3° |
| C21 | C22 | H15 | 106.3° | 108.3° |
| C30 | C32 | O5 | 119.3° | 120.0° |
| C32 | C30 | H34 | 110.7° | 109.5° |
| C32 | O5 | C33 | 115.9° | 117.0° |
| C27 | C12 | C18 | 113.0° | 112.1° |
| C27 | C12 | C11 | 107.9° | 107.4° |
| C27 | C12 | C13 | 107.8° | 107.4° |
| C12 | C27 | H28 | 109.5° | 109.5° |
| C12 | C27 | H29 | 109.5° | 109.5° |
| C12 | C27 | H30 | 109.5° | 109.5° |
| C7 | C8 | C9 | 121.7° | 122.8° |
| C8 | C7 | C2 | 119.9° | 120.3° |
| C8 | C7 | H41 | 120.1° | 118.2° |
| C7 | C8 | H43 | 119.2° | 118.0° |
| C8 | C9 | C11 | 123.3° | 118.5° |
| C8 | C9 | C10 | 120.7° | 121.6° |
| C9 | C8 | H43 | 119.1° | 119.2° |
| C7 | C2 | C1 | 122.4° | 120.8° |
| C7 | C2 | C3 | 119.4° | 119.4° |
| C2 | C7 | H41 | 120.0° | 121.5° |
| C12 | C18 | C22 | 111.3° | 114.7° |
| C18 | C12 | C11 | 110.2° | 110.5° |
| C18 | C12 | C13 | 108.9° | 111.0° |
| C12 | C18 | H9 | 104.6° | 105.1° |
| C22 | C18 | H9 | 104.6° | 103.0° |
| C18 | C22 | H14 | 106.3° | 109.0° |
| C18 | C22 | H15 | 106.2° | 108.5° |
| C12 | C11 | C9 | 109.7° | 107.1° |
| C12 | C11 | C25 | 112.7° | 111.7° |
| C11 | C12 | C13 | 108.9° | 108.1° |
| C9 | C11 | C25 | 110.2° | 110.8° |
| C11 | C9 | C10 | 115.8° | 119.9° |
| C11 | C25 | H22 | 109.5° | 109.5° |
| C11 | C25 | H23 | 109.5° | 109.5° |
| C11 | C25 | H24 | 109.4° | 109.5° |
| C23 | C1 | C2 | 119.6° | 121.1° |
| C23 | C1 | C6 | 120.5° | 118.8° |
| C1 | C23 | H16 | 109.5° | 109.5° |
| C1 | C23 | H17 | 109.5° | 109.5° |
| C1 | C23 | H18 | 109.5° | 109.5° |
| O5 | C33 | H37 | 109.5° | 109.5° |
| O5 | C33 | H38 | 109.5° | 109.5° |
| O5 | C33 | H39 | 109.4° | 109.5° |
| C12 | C13 | C14 | 112.4° | 110.9° |
| C12 | C13 | H1 | 108.7° | 110.7° |
| C12 | C13 | H2 | 108.7° | 108.2° |
| C9 | C10 | C3 | 109.6° | 112.4° |
| C9 | C10 | C14 | 112.5° | 111.8° |
| C9 | C10 | C24 | 113.3° | 109.5° |
| C1 | C2 | C3 | 118.1° | 119.8° |
| C2 | C1 | C6 | 119.8° | 120.1° |
| C2 | C3 | C10 | 121.7° | 121.4° |
| C2 | C3 | C4 | 121.0° | 119.8° |
| C1 | C6 | O2 | 120.6° | 119.9° |
| C1 | C6 | C5 | 120.8° | 119.9° |
| C13 | C14 | C10 | 113.0° | 112.6° |
| C14 | C13 | H1 | 108.7° | 111.0° |
| C14 | C13 | H2 | 108.7° | 108.2° |
| C13 | C14 | H3 | 108.6° | 111.5° |
| C13 | C14 | H4 | 108.6° | 107.7° |
| C3 | C10 | C14 | 107.7° | 109.6° |
| C3 | C10 | C24 | 103.8° | 105.2° |
| C10 | C3 | C4 | 117.3° | 118.8° |
| C14 | C10 | C24 | 109.4° | 108.1° |
| C10 | C14 | H3 | 108.6° | 110.5° |
| C10 | C14 | H4 | 108.6° | 107.9° |
| C10 | C24 | H19 | 109.5° | 109.5° |
| C10 | C24 | H20 | 109.5° | 109.5° |
| C10 | C24 | H21 | 109.5° | 109.5° |
| C3 | C4 | C5 | 120.3° | 120.4° |
| C3 | C4 | H40 | 119.8° | 120.2° |
| O2 | C6 | C5 | 118.6° | 120.2° |
| C6 | O2 | H47 | 109.5° | 114.0° |
| C6 | C5 | C4 | 119.9° | 119.9° |
| C6 | C5 | O1 | 120.6° | 120.1° |
| C4 | C5 | O1 | 119.4° | 120.0° |
| C5 | C4 | H40 | 119.8° | 119.4° |
| H1 | C13 | H2 | 109.5° | 107.8° |
| H3 | C14 | H4 | 109.5° | 106.3° |
| H5 | C15 | H6 | 109.5° | 107.9° |
| H7 | C16 | H8 | 109.5° | 106.6° |
| H10 | C19 | H11 | 109.5° | 107.4° |
| H12 | C20 | H13 | 109.5° | 107.1° |
| H14 | C22 | H15 | 109.5° | 105.1° |
| H16 | C23 | H17 | 109.5° | 109.4° |
| H16 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.4° | 109.4° |
| H19 | C24 | H20 | 109.4° | 109.4° |
| H19 | C24 | H21 | 109.5° | 109.4° |
| H20 | C24 | H21 | 109.4° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H22 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.4° |
| H25 | C26 | H26 | 109.5° | 109.5° |
| H25 | C26 | H27 | 109.4° | 109.5° |
| H26 | C26 | H27 | 109.4° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H28 | C27 | H30 | 109.5° | 109.4° |
| H29 | C27 | H30 | 109.4° | 109.5° |
| H31 | C28 | H32 | 109.4° | 109.4° |
| H31 | C28 | H33 | 109.5° | 109.5° |
| H32 | C28 | H33 | 109.4° | 109.5° |
| H35 | C31 | H36 | 109.4° | 109.5° |
| H37 | C33 | H38 | 109.4° | 109.5° |
| H37 | C33 | H39 | 109.5° | 109.4° |
| H38 | C33 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C17 | H10 | 120.2° | 118.3° |
| C20 | C19 | C17 | H11 | 120.2° | 123.5° |
| C19 | C20 | C21 | H12 | 120.2° | 124.5° |
| C19 | C20 | C21 | H13 | 120.2° | 118.7° |
| C20 | C19 | C17 | C16 | 173.0° | 173.0° |
| C19 | C20 | C21 | N1 | 69.2° | 78.7° |
| C20 | C19 | C17 | C26 | 55.8° | 58.1° |
| C20 | C19 | C17 | C18 | 60.2° | 59.6° |
| C19 | C20 | C21 | C28 | 172.2° | 166.1° |
| C19 | C20 | C21 | C22 | 49.3° | 48.9° |
| C20 | C19 | H10 | H11 | 119.3° | 119.7° |
| C19 | C20 | H12 | H13 | 119.6° | 118.0° |
| C17 | C19 | C20 | C21 | 66.5° | 58.3° |
| C19 | C17 | C16 | C15 | 92.2° | 82.3° |
| C19 | C17 | C16 | C26 | 116.8° | 116.1° |
| C19 | C17 | C16 | C18 | 125.9° | 126.7° |
| C19 | C17 | C26 | C18 | 119.7° | 120.8° |
| C19 | C17 | C18 | C12 | 91.9° | 83.8° |
| C19 | C17 | C18 | C22 | 39.2° | 50.5° |
| C19 | C17 | C16 | H7 | 146.9° | 153.4° |
| C19 | C17 | C16 | H8 | 28.9° | 37.5° |
| C19 | C17 | C18 | H9 | 152.8° | 161.3° |
| C17 | C19 | H10 | H11 | 119.3° | 120.8° |
| C17 | C19 | C20 | H12 | 53.7° | 65.6° |
| C17 | C19 | C20 | H13 | 173.4° | 177.0° |
| C19 | C17 | C26 | H25 | 180.0° | 58.0° |
| C19 | C17 | C26 | H26 | 60.0° | 62.0° |
| C19 | C17 | C26 | H27 | 60.0° | 178.0° |
| C20 | C21 | N1 | C28 | 118.8° | 115.4° |
| C20 | C21 | N1 | C22 | 119.6° | 127.9° |
| C20 | C21 | N1 | C29 | 173.4° | 53.6° |
| C20 | C21 | C28 | C22 | 122.9° | 121.4° |
| C20 | C21 | C22 | C18 | 32.0° | 41.3° |
| C21 | C20 | C19 | H10 | 53.8° | 176.7° |
| C21 | C20 | C19 | H11 | 173.4° | 65.7° |
| C21 | C20 | H12 | H13 | 119.5° | 117.5° |
| C20 | C21 | C22 | H14 | 89.8° | 164.9° |
| C20 | C21 | C22 | H15 | 153.7° | 81.6° |
| C20 | C21 | C28 | H31 | 180.0° | 60.0° |
| C20 | C21 | C28 | H32 | 60.0° | 180.0° |
| C20 | C21 | C28 | H33 | 60.0° | 60.0° |
| C20 | C21 | N1 | H44 | 6.6° | 126.3° |
| O6 | C32 | C30 | C31 | 65.8° | 120.0° |
| O6 | C32 | C30 | N2 | 52.5° | 0.0° |
| O6 | C32 | C30 | O5 | 179.5° | 180.0° |
| O6 | C32 | O5 | C33 | 2.0° | 0.0° |
| O6 | C32 | C30 | H34 | 171.0° | 120.0° |
| C15 | C16 | C17 | H7 | 121.0° | 124.3° |
| C15 | C16 | C17 | H8 | 121.0° | 119.8° |
| C16 | C15 | C11 | H5 | 120.3° | 117.8° |
| C16 | C15 | C11 | H6 | 120.3° | 123.6° |
| C15 | C16 | C17 | C26 | 151.1° | 161.6° |
| C15 | C16 | C17 | C18 | 33.7° | 44.4° |
| C16 | C15 | C11 | C12 | 65.0° | 63.3° |
| C16 | C15 | C11 | C9 | 175.4° | 179.8° |
| C16 | C15 | C11 | C25 | 54.8° | 58.1° |
| C16 | C15 | H5 | H6 | 118.9° | 120.1° |
| C15 | C16 | H7 | H8 | 116.9° | 117.6° |
| C17 | C16 | C15 | C11 | 51.8° | 56.1° |
| C16 | C17 | C26 | C18 | 121.8° | 121.2° |
| C16 | C17 | C18 | C12 | 33.0° | 42.0° |
| C16 | C17 | C18 | C22 | 164.1° | 176.4° |
| C17 | C16 | C15 | H5 | 68.5° | 173.8° |
| C17 | C16 | C15 | H6 | 172.2° | 68.0° |
| C17 | C16 | H7 | H8 | 116.9° | 116.8° |
| C16 | C17 | C18 | H9 | 82.3° | 72.9° |
| C16 | C17 | C19 | H10 | 66.8° | 54.7° |
| C16 | C17 | C19 | H11 | 52.8° | 63.5° |
| C16 | C17 | C26 | H25 | 61.5° | 60.0° |
| C16 | C17 | C26 | H26 | 58.5° | 180.0° |
| C16 | C17 | C26 | H27 | 178.5° | 60.0° |
| O4 | C31 | C30 | H35 | 119.7° | 120.0° |
| O4 | C31 | C30 | H36 | 119.7° | 120.0° |
| O4 | C31 | C30 | N2 | 170.8° | 65.0° |
| O4 | C31 | C30 | C32 | 59.9° | 55.0° |
| O4 | C31 | C30 | H34 | 62.9° | 175.0° |
| O4 | C31 | H35 | H36 | 120.9° | 120.0° |
| C31 | C30 | N2 | C32 | 116.4° | 120.0° |
| C31 | C30 | N2 | H34 | 126.0° | 120.0° |
| C31 | C30 | N2 | C29 | 140.5° | 85.0° |
| C31 | C30 | C32 | H34 | 123.2° | 120.1° |
| C31 | C30 | C32 | O5 | 114.8° | 60.0° |
| C30 | C31 | H35 | H36 | 121.0° | 120.0° |
| C31 | C30 | N2 | H45 | 39.5° | 95.0° |
| C30 | C31 | O4 | H48 | 180.0° | 180.0° |
| C15 | C11 | C12 | C27 | 61.0° | 62.7° |
| C15 | C11 | C9 | C8 | 19.9° | 11.4° |
| C15 | C11 | C12 | C18 | 62.9° | 59.9° |
| C15 | C11 | C12 | C9 | 121.3° | 118.9° |
| C15 | C11 | C12 | C25 | 115.4° | 119.6° |
| C15 | C11 | C9 | C25 | 118.2° | 120.4° |
| C15 | C11 | C12 | C13 | 177.7° | 178.4° |
| C15 | C11 | C9 | C10 | 165.2° | 168.9° |
| C11 | C15 | H5 | H6 | 118.9° | 121.1° |
| C11 | C15 | C16 | H7 | 69.1° | 67.7° |
| C11 | C15 | C16 | H8 | 172.8° | 175.7° |
| C15 | C11 | C25 | H22 | 180.0° | 171.1° |
| C15 | C11 | C25 | H23 | 60.0° | 68.9° |
| C15 | C11 | C25 | H24 | 60.0° | 51.0° |
| C21 | N1 | C29 | H44 | 180.0° | 179.9° |
| C21 | N1 | C29 | N2 | 179.4° | 180.0° |
| N1 | C21 | C28 | C22 | 120.8° | 120.5° |
| C21 | N1 | C29 | O3 | 0.6° | 0.1° |
| N1 | C21 | C22 | C18 | 84.6° | 85.2° |
| N1 | C21 | C20 | H12 | 170.6° | 156.8° |
| N1 | C21 | C20 | H13 | 50.9° | 40.0° |
| N1 | C21 | C22 | H14 | 153.7° | 38.3° |
| N1 | C21 | C22 | H15 | 37.1° | 151.9° |
| N1 | C21 | C28 | H31 | 63.7° | 58.1° |
| N1 | C21 | C28 | H32 | 176.3° | 61.9° |
| N1 | C21 | C28 | H33 | 56.4° | 178.1° |
| N1 | C29 | N2 | C30 | 175.5° | 179.9° |
| N1 | C29 | N2 | O3 | 178.9° | 179.9° |
| C29 | N1 | C21 | C28 | 67.8° | 61.7° |
| C29 | N1 | C21 | C22 | 53.9° | 178.5° |
| N1 | C29 | N2 | H45 | 4.5° | 0.0° |
| C30 | N2 | C29 | H45 | 180.0° | 179.9° |
| N2 | C30 | C32 | H34 | 118.5° | 120.0° |
| N2 | C30 | C32 | O5 | 127.0° | 180.0° |
| C30 | N2 | C29 | O3 | 5.6° | 0.0° |
| N2 | C30 | C31 | H35 | 51.1° | 175.0° |
| N2 | C30 | C31 | H36 | 69.5° | 55.0° |
| C29 | N2 | C30 | C32 | 103.1° | 155.0° |
| C29 | N2 | C30 | H34 | 14.5° | 35.0° |
| N2 | C29 | N1 | H44 | 0.6° | 0.1° |
| C26 | C17 | C18 | C12 | 151.4° | 158.2° |
| C26 | C17 | C18 | C22 | 77.6° | 67.4° |
| C26 | C17 | C16 | H7 | 30.1° | 37.3° |
| C26 | C17 | C16 | H8 | 87.9° | 78.6° |
| C26 | C17 | C18 | H9 | 36.1° | 43.3° |
| C26 | C17 | C19 | H10 | 176.0° | 60.2° |
| C26 | C17 | C19 | H11 | 64.4° | 178.3° |
| C17 | C26 | H25 | H26 | 120.0° | 120.0° |
| C17 | C26 | H25 | H27 | 120.0° | 120.0° |
| C17 | C26 | H26 | H27 | 120.0° | 120.0° |
| C17 | C18 | C22 | C21 | 26.7° | 41.9° |
| C17 | C18 | C12 | C27 | 71.6° | 69.7° |
| C17 | C18 | C12 | C22 | 132.0° | 133.3° |
| C17 | C18 | C12 | H9 | 115.5° | 114.4° |
| C17 | C18 | C22 | H9 | 113.9° | 111.5° |
| C17 | C18 | C12 | C11 | 49.3° | 50.1° |
| C17 | C18 | C12 | C13 | 168.7° | 170.1° |
| C18 | C17 | C16 | H7 | 87.2° | 79.9° |
| C18 | C17 | C16 | H8 | 154.8° | 164.2° |
| C18 | C17 | C19 | H10 | 60.0° | 177.9° |
| C18 | C17 | C19 | H11 | 179.6° | 63.9° |
| C17 | C18 | C22 | H14 | 95.0° | 165.1° |
| C17 | C18 | C22 | H15 | 148.4° | 81.0° |
| C18 | C17 | C26 | H25 | 60.3° | 178.8° |
| C18 | C17 | C26 | H26 | 179.7° | 58.8° |
| C18 | C17 | C26 | H27 | 59.7° | 61.2° |
| C28 | C21 | C22 | C18 | 154.4° | 158.4° |
| C28 | C21 | C20 | H12 | 52.0° | 41.6° |
| C28 | C21 | C20 | H13 | 67.6° | 75.2° |
| C28 | C21 | C22 | H14 | 32.7° | 78.1° |
| C28 | C21 | C22 | H15 | 83.9° | 35.5° |
| C21 | C28 | H31 | H32 | 120.0° | 120.0° |
| C21 | C28 | H31 | H33 | 120.0° | 120.0° |
| C21 | C28 | H32 | H33 | 120.0° | 120.0° |
| C28 | C21 | N1 | H44 | 112.2° | 118.4° |
| C21 | C22 | C18 | C12 | 106.9° | 93.0° |
| C21 | C22 | C18 | H14 | 121.7° | 123.2° |
| C21 | C22 | C18 | H15 | 121.7° | 122.9° |
| C21 | C22 | C18 | H9 | 140.7° | 153.4° |
| C22 | C21 | C20 | H12 | 70.8° | 75.6° |
| C22 | C21 | C20 | H13 | 169.5° | 167.6° |
| C21 | C22 | H14 | H15 | 114.4° | 115.6° |
| C22 | C21 | C28 | H31 | 57.1° | 178.6° |
| C22 | C21 | C28 | H32 | 62.9° | 58.6° |
| C22 | C21 | C28 | H33 | 177.1° | 61.4° |
| C22 | C21 | N1 | H44 | 126.1° | 1.6° |
| C30 | C32 | O5 | C33 | 178.5° | 180.0° |
| C32 | C30 | C31 | H35 | 59.8° | 65.0° |
| C32 | C30 | C31 | H36 | 179.6° | 175.0° |
| C32 | C30 | N2 | H45 | 76.9° | 25.0° |
| O5 | C32 | C30 | H34 | 8.5° | 60.1° |
| C32 | O5 | C33 | H37 | 180.0° | 60.0° |
| C32 | O5 | C33 | H38 | 60.0° | 60.0° |
| C32 | O5 | C33 | H39 | 60.0° | 180.0° |
| C27 | C12 | C18 | C11 | 120.9° | 119.9° |
| C27 | C12 | C18 | C13 | 119.7° | 120.2° |
| C27 | C12 | C18 | C22 | 60.5° | 63.6° |
| C27 | C12 | C11 | C13 | 116.7° | 115.7° |
| C27 | C12 | C11 | C9 | 60.3° | 56.2° |
| C27 | C12 | C11 | C25 | 176.4° | 177.7° |
| C27 | C12 | C13 | C14 | 54.7° | 50.7° |
| C27 | C12 | C13 | H1 | 175.2° | 174.2° |
| C27 | C12 | C13 | H2 | 65.7° | 67.9° |
| C27 | C12 | C18 | H9 | 172.9° | 175.9° |
| C12 | C27 | H28 | H29 | 120.0° | 120.0° |
| C12 | C27 | H28 | H30 | 120.0° | 120.0° |
| C12 | C27 | H29 | H30 | 120.0° | 120.0° |
| O3 | C29 | N1 | H44 | 179.4° | 180.0° |
| O3 | C29 | N2 | H45 | 174.3° | 180.0° |
| C7 | C8 | C9 | H43 | 180.0° | 179.9° |
| C8 | C7 | C2 | H41 | 180.0° | 177.3° |
| C7 | C8 | C9 | C11 | 177.9° | 176.5° |
| C7 | C8 | C9 | C10 | 3.3° | 3.8° |
| C8 | C7 | C2 | C1 | 159.4° | 171.0° |
| C8 | C7 | C2 | C3 | 20.6° | 8.9° |
| C9 | C8 | C7 | C2 | 19.8° | 8.6° |
| C8 | C9 | C11 | C12 | 137.0° | 129.0° |
| C8 | C9 | C11 | C10 | 174.8° | 179.7° |
| C8 | C9 | C11 | C25 | 98.3° | 109.0° |
| C8 | C9 | C10 | C3 | 21.8° | 14.0° |
| C8 | C9 | C10 | C14 | 141.6° | 137.8° |
| C8 | C9 | C10 | C24 | 93.6° | 102.5° |
| C9 | C8 | C7 | H41 | 160.2° | 174.0° |
| C7 | C2 | C1 | C23 | 0.2° | 2.0° |
| C7 | C2 | C1 | C3 | 180.0° | 179.9° |
| C7 | C2 | C1 | C6 | 179.9° | 177.8° |
| C7 | C2 | C3 | C10 | 1.0° | 2.6° |
| C7 | C2 | C3 | C4 | 179.6° | 177.6° |
| C2 | C7 | C8 | H43 | 160.2° | 171.4° |
| C12 | C18 | C22 | H9 | 112.4° | 113.6° |
| C18 | C12 | C11 | C13 | 119.4° | 121.7° |
| C18 | C12 | C11 | C9 | 175.8° | 178.9° |
| C18 | C12 | C11 | C25 | 52.6° | 59.7° |
| C18 | C12 | C13 | C14 | 177.7° | 173.6° |
| C18 | C12 | C13 | H1 | 61.9° | 62.8° |
| C18 | C12 | C13 | H2 | 57.2° | 55.1° |
| C12 | C18 | C22 | H14 | 131.3° | 30.2° |
| C12 | C18 | C22 | H15 | 14.8° | 144.1° |
| C18 | C12 | C27 | H28 | 180.0° | 159.4° |
| C18 | C12 | C27 | H29 | 60.0° | 80.6° |
| C18 | C12 | C27 | H30 | 60.0° | 39.5° |
| C22 | C18 | C12 | C11 | 178.7° | 176.6° |
| C22 | C18 | C12 | C13 | 59.3° | 56.6° |
| C18 | C22 | H14 | H15 | 114.3° | 116.1° |
| C12 | C11 | C9 | C25 | 124.7° | 122.0° |
| C12 | C11 | C9 | C10 | 48.1° | 51.3° |
| C11 | C12 | C13 | C14 | 62.1° | 65.0° |
| C11 | C12 | C13 | H1 | 58.3° | 58.6° |
| C11 | C12 | C13 | H2 | 177.5° | 176.5° |
| C12 | C11 | C15 | H5 | 55.3° | 178.9° |
| C12 | C11 | C15 | H6 | 174.6° | 60.3° |
| C11 | C12 | C18 | H9 | 66.2° | 64.2° |
| C12 | C11 | C25 | H22 | 64.9° | 51.7° |
| C12 | C11 | C25 | H23 | 175.1° | 171.7° |
| C12 | C11 | C25 | H24 | 55.1° | 68.3° |
| C11 | C12 | C27 | H28 | 57.8° | 37.8° |
| C11 | C12 | C27 | H29 | 177.8° | 157.8° |
| C11 | C12 | C27 | H30 | 62.2° | 82.2° |
| C9 | C11 | C12 | C13 | 56.4° | 59.4° |
| C11 | C9 | C10 | C3 | 163.2° | 166.3° |
| C11 | C9 | C10 | C14 | 43.4° | 42.5° |
| C11 | C9 | C10 | C24 | 81.4° | 77.2° |
| C9 | C11 | C15 | H5 | 64.3° | 62.0° |
| C9 | C11 | C15 | H6 | 55.0° | 56.6° |
| C9 | C11 | C25 | H22 | 58.0° | 67.6° |
| C9 | C11 | C25 | H23 | 61.9° | 52.5° |
| C9 | C11 | C25 | H24 | 178.1° | 172.4° |
| C11 | C9 | C8 | H43 | 2.1° | 3.6° |
| C25 | C11 | C12 | C13 | 66.8° | 62.0° |
| C25 | C11 | C9 | C10 | 76.6° | 70.7° |
| C25 | C11 | C15 | H5 | 175.2° | 59.6° |
| C25 | C11 | C15 | H6 | 65.5° | 178.3° |
| C11 | C25 | H22 | H23 | 120.0° | 120.0° |
| C11 | C25 | H22 | H24 | 120.0° | 120.0° |
| C11 | C25 | H23 | H24 | 120.0° | 120.0° |
| C23 | C1 | C2 | C6 | 179.9° | 179.8° |
| C23 | C1 | C2 | C3 | 179.8° | 178.0° |
| C23 | C1 | C6 | O2 | 0.3° | 0.2° |
| C23 | C1 | C6 | C5 | 179.9° | 179.8° |
| C1 | C23 | H16 | H17 | 120.0° | 120.0° |
| C1 | C23 | H16 | H18 | 120.0° | 120.1° |
| C1 | C23 | H17 | H18 | 120.0° | 120.0° |
| O5 | C33 | H37 | H38 | 120.0° | 120.0° |
| O5 | C33 | H37 | H39 | 120.0° | 120.0° |
| O5 | C33 | H38 | H39 | 120.0° | 120.0° |
| C12 | C13 | C14 | H1 | 120.4° | 123.4° |
| C12 | C13 | C14 | H2 | 120.4° | 118.5° |
| C12 | C13 | C14 | C10 | 57.9° | 55.8° |
| C12 | C13 | H1 | H2 | 118.6° | 118.1° |
| C12 | C13 | C14 | H3 | 178.4° | 69.1° |
| C12 | C13 | C14 | H4 | 62.6° | 174.6° |
| C13 | C12 | C18 | H9 | 53.2° | 55.7° |
| C13 | C12 | C27 | H28 | 59.6° | 78.3° |
| C13 | C12 | C27 | H29 | 60.4° | 41.7° |
| C13 | C12 | C27 | H30 | 179.6° | 161.7° |
| C9 | C10 | C3 | C2 | 20.8° | 13.4° |
| C9 | C10 | C14 | C13 | 45.8° | 42.2° |
| C9 | C10 | C3 | C14 | 122.7° | 125.0° |
| C9 | C10 | C3 | C24 | 121.3° | 119.0° |
| C9 | C10 | C14 | C24 | 126.9° | 120.6° |
| C9 | C10 | C3 | C4 | 160.6° | 166.8° |
| C9 | C10 | C14 | H3 | 166.3° | 83.2° |
| C9 | C10 | C14 | H4 | 74.7° | 161.0° |
| C9 | C10 | C24 | H19 | 180.0° | 58.2° |
| C9 | C10 | C24 | H20 | 60.0° | 61.8° |
| C9 | C10 | C24 | H21 | 60.0° | 178.2° |
| C10 | C9 | C8 | H43 | 176.7° | 176.1° |
| C1 | C2 | C3 | C10 | 179.0° | 177.4° |
| C1 | C2 | C3 | C4 | 0.5° | 2.4° |
| C2 | C1 | C6 | O2 | 179.8° | 179.7° |
| C2 | C1 | C6 | C5 | 0.0° | 0.4° |
| C2 | C1 | C23 | H16 | 180.0° | 179.7° |
| C2 | C1 | C23 | H17 | 60.0° | 59.7° |
| C2 | C1 | C23 | H18 | 60.0° | 60.2° |
| C1 | C2 | C7 | H41 | 20.7° | 6.3° |
| C3 | C2 | C1 | C6 | 0.1° | 2.2° |
| C2 | C3 | C10 | C4 | 178.6° | 179.8° |
| C2 | C3 | C10 | C14 | 143.5° | 138.4° |
| C2 | C3 | C10 | C24 | 100.5° | 105.6° |
| C2 | C3 | C4 | C5 | 0.8° | 0.8° |
| C2 | C3 | C4 | H40 | 179.2° | 179.2° |
| C3 | C2 | C7 | H41 | 159.3° | 173.8° |
| C1 | C6 | O2 | C5 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 1.2° |
| C1 | C6 | C5 | O1 | 179.7° | 178.9° |
| C6 | C1 | C23 | H16 | 0.1° | 0.1° |
| C6 | C1 | C23 | H17 | 119.9° | 120.1° |
| C6 | C1 | C23 | H18 | 120.2° | 119.9° |
| C1 | C6 | O2 | H47 | 179.8° | 180.0° |
| C13 | C14 | C10 | C3 | 166.7° | 167.6° |
| C13 | C14 | C10 | H3 | 120.5° | 125.4° |
| C13 | C14 | C10 | H4 | 120.5° | 118.7° |
| C13 | C14 | C10 | C24 | 81.1° | 78.3° |
| C14 | C13 | H1 | H2 | 118.7° | 118.3° |
| C13 | C14 | H3 | H4 | 118.4° | 117.2° |
| C3 | C10 | C14 | C24 | 112.2° | 114.1° |
| C10 | C3 | C4 | C5 | 179.4° | 179.0° |
| C3 | C10 | C14 | H3 | 72.8° | 42.1° |
| C3 | C10 | C14 | H4 | 46.2° | 73.7° |
| C3 | C10 | C24 | H19 | 61.2° | 62.8° |
| C3 | C10 | C24 | H20 | 58.8° | 177.2° |
| C3 | C10 | C24 | H21 | 178.8° | 57.2° |
| C10 | C3 | C4 | H40 | 0.6° | 1.0° |
| C14 | C10 | C3 | C4 | 37.9° | 41.8° |
| C10 | C14 | C13 | H1 | 62.5° | 67.6° |
| C10 | C14 | C13 | H2 | 178.3° | 174.3° |
| C10 | C14 | H3 | H4 | 118.4° | 116.8° |
| C14 | C10 | C24 | H19 | 53.6° | 179.8° |
| C14 | C10 | C24 | H20 | 173.6° | 60.2° |
| C14 | C10 | C24 | H21 | 66.5° | 59.8° |
| C24 | C10 | C3 | C4 | 78.1° | 74.1° |
| C24 | C10 | C14 | H3 | 39.4° | 156.2° |
| C24 | C10 | C14 | H4 | 158.4° | 40.4° |
| C10 | C24 | H19 | H20 | 120.0° | 120.0° |
| C10 | C24 | H19 | H21 | 120.0° | 120.1° |
| C10 | C24 | H20 | H21 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 0.6° | 1.0° |
| C3 | C4 | C5 | H40 | 180.0° | 180.0° |
| C3 | C4 | C5 | O1 | 179.9° | 179.1° |
| O2 | C6 | C5 | C4 | 179.5° | 178.8° |
| O2 | C6 | C5 | O1 | 0.0° | 1.1° |
| C6 | C5 | C4 | O1 | 179.5° | 179.9° |
| C6 | C5 | C4 | H40 | 179.4° | 179.0° |
| C5 | C6 | O2 | H47 | 0.0° | 0.1° |
| O1 | C5 | C4 | H40 | 0.1° | 0.9° |
| H1 | C13 | C14 | H3 | 58.0° | 167.5° |
| H1 | C13 | C14 | H4 | 177.0° | 51.2° |
| H2 | C13 | C14 | H3 | 61.2° | 49.4° |
| H2 | C13 | C14 | H4 | 57.8° | 66.9° |
| H5 | C15 | C16 | H7 | 170.5° | 50.0° |
| H5 | C15 | C16 | H8 | 52.5° | 66.6° |
| H6 | C15 | C16 | H7 | 51.2° | 168.2° |
| H6 | C15 | C16 | H8 | 66.8° | 51.6° |
| H9 | C18 | C22 | H14 | 18.9° | 83.4° |
| H9 | C18 | C22 | H15 | 97.6° | 30.5° |
| H10 | C19 | C20 | H12 | 174.0° | 52.8° |
| H10 | C19 | C20 | H13 | 66.3° | 64.6° |
| H11 | C19 | C20 | H12 | 66.5° | 170.4° |
| H11 | C19 | C20 | H13 | 53.2° | 53.0° |
| H16 | C23 | H17 | H18 | 120.0° | 120.0° |
| H19 | C24 | H20 | H21 | 120.0° | 119.9° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
| H25 | C26 | H26 | H27 | 120.0° | 120.0° |
| H28 | C27 | H29 | H30 | 120.0° | 119.9° |
| H31 | C28 | H32 | H33 | 120.0° | 120.0° |
| H34 | C30 | C31 | H35 | 177.4° | 55.1° |
| H34 | C30 | C31 | H36 | 56.8° | 65.0° |
| H34 | C30 | N2 | H45 | 165.5° | 144.9° |
| H35 | C31 | O4 | H48 | 60.3° | 60.1° |
| H36 | C31 | O4 | H48 | 60.3° | 60.0° |
| H37 | C33 | H38 | H39 | 120.0° | 120.0° |
| H41 | C7 | C8 | H43 | 19.8° | 6.0° |
