YCC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | sing | 1.53Å | 1.61Å | |
| C19 | C17 | sing | 1.52Å | 1.57Å | |
| C20 | C21 | sing | 1.53Å | 1.58Å | |
| O5 | C33 | doub | 1.21Å | 1.20Å | |
| C16 | C15 | sing | 1.52Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.54Å | 1.40Å | |
| C31 | O4 | sing | 1.44Å | 1.63Å | |
| N2 | C30 | sing | 1.47Å | 1.46Å | |
| N2 | C29 | sing | 1.35Å | 1.47Å | |
| C15 | C11 | sing | 1.53Å | 1.50Å | |
| N1 | C21 | sing | 1.46Å | 1.48Å | |
| N1 | C29 | sing | 1.35Å | 1.47Å | |
| C17 | C26 | sing | 1.55Å | 1.56Å | |
| C17 | C18 | sing | 1.52Å | 1.52Å | |
| C33 | C30 | sing | 1.51Å | 1.65Å | |
| C33 | O6 | sing | 1.34Å | 1.40Å | |
| C30 | C32 | sing | 1.54Å | 1.40Å | |
| C21 | C28 | sing | 1.55Å | 1.51Å | |
| C21 | C22 | sing | 1.52Å | 1.54Å | |
| C29 | O3 | doub | 1.22Å | 1.19Å | |
| C27 | C12 | sing | 1.53Å | 1.57Å | |
| C23 | C1 | sing | 1.51Å | 1.55Å | |
| C8 | C7 | sing | 1.40Å | 1.37Å | |
| C8 | C9 | doub | 1.34Å | 1.28Å | |
| C7 | C2 | doub | 1.40Å | 1.62Å | |
| O4 | C32 | sing | 1.44Å | 1.63Å | |
| C34 | O6 | sing | 1.45Å | 1.42Å | |
| C11 | C12 | sing | 1.54Å | 1.56Å | |
| C11 | C9 | sing | 1.52Å | 1.61Å | |
| C11 | C24 | sing | 1.53Å | 1.57Å | |
| C18 | C22 | sing | 1.52Å | 1.52Å | |
| C18 | C12 | sing | 1.51Å | 1.63Å | |
| C12 | C13 | sing | 1.53Å | 1.45Å | |
| C9 | C10 | sing | 1.50Å | 1.45Å | |
| C1 | C2 | sing | 1.41Å | 1.35Å | |
| C1 | C6 | doub | 1.36Å | 1.43Å | |
| C2 | C3 | sing | 1.42Å | 1.57Å | |
| O2 | C6 | sing | 1.36Å | 1.41Å | |
| C6 | C5 | sing | 1.41Å | 1.63Å | |
| C13 | C14 | sing | 1.52Å | 1.50Å | |
| C3 | C10 | sing | 1.51Å | 1.68Å | |
| C3 | C4 | doub | 1.36Å | 1.36Å | |
| C10 | C14 | sing | 1.52Å | 1.49Å | |
| C10 | C25 | sing | 1.54Å | 1.56Å | |
| C4 | C5 | sing | 1.41Å | 1.59Å | |
| C5 | O1 | doub | 1.22Å | 1.40Å | |
| 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 | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C7 | H42 | sing | 1.08Å | 1.08Å | |
| C8 | H44 | sing | 1.08Å | 1.08Å | |
| N1 | H45 | sing | 0.97Å | 1.00Å | |
| N2 | H46 | sing | 0.97Å | 1.00Å | |
| O2 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C17 | 113.1° | 110.1° |
| C19 | C20 | C21 | 108.2° | 111.5° |
| C20 | C19 | H10 | 108.5° | 108.3° |
| C20 | C19 | H11 | 108.5° | 110.7° |
| C19 | C20 | H12 | 109.8° | 111.4° |
| C19 | C20 | H13 | 109.8° | 108.1° |
| C19 | C17 | C16 | 108.8° | 110.3° |
| C19 | C17 | C26 | 106.1° | 107.7° |
| C19 | C17 | C18 | 112.4° | 112.0° |
| C17 | C19 | H10 | 108.6° | 108.4° |
| C17 | C19 | H11 | 108.5° | 111.7° |
| C20 | C21 | N1 | 104.7° | 110.7° |
| C20 | C21 | C28 | 111.8° | 106.5° |
| C20 | C21 | C22 | 107.8° | 113.5° |
| C21 | C20 | H12 | 109.8° | 110.5° |
| C21 | C20 | H13 | 109.8° | 108.1° |
| O5 | C33 | C30 | 117.3° | 120.0° |
| O5 | C33 | O6 | 120.3° | 120.0° |
| C15 | C16 | C17 | 119.2° | 112.9° |
| C16 | C15 | C11 | 113.1° | 109.8° |
| C16 | C15 | H5 | 108.6° | 108.2° |
| C16 | C15 | H6 | 108.6° | 110.9° |
| C15 | C16 | H7 | 107.0° | 110.9° |
| C15 | C16 | H8 | 107.0° | 108.3° |
| C16 | C17 | C26 | 107.8° | 105.7° |
| C16 | C17 | C18 | 113.9° | 113.4° |
| C17 | C16 | H7 | 107.0° | 109.8° |
| C17 | C16 | H8 | 107.0° | 108.0° |
| C30 | C31 | O4 | 84.7° | 85.5° |
| C31 | C30 | N2 | 115.8° | 113.8° |
| C31 | C30 | C33 | 109.6° | 113.8° |
| C31 | C30 | C32 | 101.5° | 85.8° |
| C30 | C31 | H34 | 115.2° | 113.8° |
| C30 | C31 | H35 | 115.3° | 113.9° |
| C31 | O4 | C32 | 83.6° | 93.4° |
| O4 | C31 | H34 | 115.3° | 113.8° |
| O4 | C31 | H35 | 115.3° | 113.9° |
| C30 | N2 | C29 | 121.7° | 120.0° |
| N2 | C30 | C33 | 98.2° | 113.1° |
| N2 | C30 | C32 | 116.3° | 113.8° |
| C30 | N2 | H46 | 119.1° | 120.0° |
| N2 | C29 | N1 | 113.6° | 120.0° |
| N2 | C29 | O3 | 122.9° | 120.0° |
| C29 | N2 | H46 | 119.2° | 120.0° |
| C15 | C11 | C12 | 105.2° | 108.4° |
| C15 | C11 | C9 | 117.5° | 110.2° |
| C15 | C11 | C24 | 107.5° | 108.7° |
| C11 | C15 | H5 | 108.5° | 108.0° |
| C11 | C15 | H6 | 108.5° | 111.7° |
| C21 | N1 | C29 | 124.6° | 120.0° |
| N1 | C21 | C28 | 107.9° | 106.3° |
| N1 | C21 | C22 | 112.1° | 112.6° |
| C21 | N1 | H45 | 117.7° | 120.0° |
| N1 | C29 | O3 | 123.5° | 120.0° |
| C29 | N1 | H45 | 117.7° | 120.0° |
| C26 | C17 | C18 | 107.5° | 107.3° |
| C17 | C26 | H25 | 109.5° | 109.5° |
| C17 | C26 | H26 | 109.5° | 109.5° |
| C17 | C26 | H27 | 109.5° | 109.5° |
| C17 | C18 | C22 | 112.0° | 112.3° |
| C17 | C18 | C12 | 115.8° | 115.7° |
| C17 | C18 | H9 | 106.4° | 104.2° |
| C30 | C33 | O6 | 122.5° | 120.0° |
| C33 | C30 | C32 | 116.0° | 113.8° |
| C33 | O6 | C34 | 115.0° | 117.0° |
| C30 | C32 | O4 | 84.7° | 85.5° |
| C30 | C32 | H36 | 115.3° | 113.8° |
| C30 | C32 | H37 | 115.3° | 113.9° |
| C28 | C21 | C22 | 112.3° | 106.8° |
| C21 | C28 | H31 | 109.5° | 109.5° |
| C21 | C28 | H32 | 109.5° | 109.5° |
| C21 | C28 | H33 | 109.5° | 109.4° |
| C21 | C22 | C18 | 131.4° | 117.0° |
| C21 | C22 | H14 | 103.7° | 108.3° |
| C21 | C22 | H15 | 103.7° | 108.4° |
| C27 | C12 | C11 | 108.8° | 107.5° |
| C27 | C12 | C18 | 111.3° | 112.1° |
| C27 | C12 | C13 | 108.6° | 107.4° |
| C12 | C27 | H28 | 109.5° | 109.4° |
| C12 | C27 | H29 | 109.4° | 109.5° |
| C12 | C27 | H30 | 109.5° | 109.5° |
| C23 | C1 | C2 | 119.7° | 121.1° |
| C23 | C1 | C6 | 118.2° | 118.8° |
| C1 | C23 | H16 | 109.5° | 109.5° |
| C1 | C23 | H17 | 109.5° | 109.5° |
| C1 | C23 | H18 | 109.4° | 109.5° |
| C7 | C8 | C9 | 118.4° | 122.7° |
| C8 | C7 | C2 | 121.1° | 120.3° |
| C8 | C7 | H42 | 119.5° | 118.2° |
| C7 | C8 | H44 | 120.8° | 117.9° |
| C8 | C9 | C11 | 103.6° | 118.4° |
| C8 | C9 | C10 | 136.4° | 121.7° |
| C9 | C8 | H44 | 120.8° | 119.4° |
| C7 | C2 | C1 | 128.4° | 120.8° |
| C7 | C2 | C3 | 113.2° | 119.4° |
| C2 | C7 | H42 | 119.4° | 121.5° |
| O4 | C32 | H36 | 115.3° | 113.9° |
| O4 | C32 | H37 | 115.3° | 114.0° |
| O6 | C34 | H38 | 109.5° | 109.5° |
| O6 | C34 | H39 | 109.5° | 109.5° |
| O6 | C34 | H40 | 109.4° | 109.5° |
| C12 | C11 | C9 | 107.2° | 107.0° |
| C12 | C11 | C24 | 109.9° | 111.7° |
| C11 | C12 | C18 | 110.7° | 110.6° |
| C11 | C12 | C13 | 108.1° | 108.0° |
| C9 | C11 | C24 | 109.3° | 110.9° |
| C11 | C9 | C10 | 120.0° | 119.9° |
| C11 | C24 | H19 | 109.5° | 109.5° |
| C11 | C24 | H20 | 109.5° | 109.5° |
| C11 | C24 | H21 | 109.5° | 109.4° |
| C22 | C18 | C12 | 110.3° | 114.7° |
| C22 | C18 | H9 | 106.4° | 103.0° |
| C18 | C22 | H14 | 103.8° | 109.0° |
| C18 | C22 | H15 | 103.8° | 108.4° |
| C18 | C12 | C13 | 109.2° | 111.1° |
| C12 | C18 | H9 | 105.3° | 105.1° |
| C12 | C13 | C14 | 113.7° | 110.8° |
| C12 | C13 | H1 | 108.4° | 110.8° |
| C12 | C13 | H2 | 108.4° | 108.2° |
| C9 | C10 | C3 | 107.4° | 112.4° |
| C9 | C10 | C14 | 112.2° | 111.9° |
| C9 | C10 | C25 | 112.0° | 109.4° |
| C2 | C1 | C6 | 122.0° | 120.1° |
| C1 | C2 | C3 | 118.4° | 119.8° |
| C1 | C6 | O2 | 118.5° | 119.9° |
| C1 | C6 | C5 | 123.2° | 119.8° |
| C2 | C3 | C10 | 117.5° | 121.4° |
| C2 | C3 | C4 | 126.1° | 119.8° |
| O2 | C6 | C5 | 118.3° | 120.3° |
| C6 | O2 | H48 | 109.5° | 114.0° |
| C6 | C5 | C4 | 111.5° | 120.0° |
| C6 | C5 | O1 | 125.0° | 120.0° |
| C13 | C14 | C10 | 112.3° | 112.7° |
| C14 | C13 | H1 | 108.4° | 110.9° |
| C14 | C13 | H2 | 108.4° | 108.2° |
| C13 | C14 | H3 | 108.8° | 111.6° |
| C13 | C14 | H4 | 108.8° | 107.7° |
| C10 | C3 | C4 | 116.4° | 118.8° |
| C3 | C10 | C14 | 110.4° | 109.6° |
| C3 | C10 | C25 | 104.4° | 105.2° |
| C3 | C4 | C5 | 118.8° | 120.4° |
| C3 | C4 | H41 | 120.6° | 120.2° |
| C14 | C10 | C25 | 110.1° | 108.1° |
| C10 | C14 | H3 | 108.8° | 110.5° |
| C10 | C14 | H4 | 108.8° | 107.8° |
| C10 | C25 | H22 | 109.5° | 109.5° |
| C10 | C25 | H23 | 109.4° | 109.5° |
| C10 | C25 | H24 | 109.5° | 109.5° |
| C4 | C5 | O1 | 123.4° | 120.0° |
| C5 | C4 | H41 | 120.6° | 119.4° |
| H1 | C13 | H2 | 109.5° | 107.7° |
| H3 | C14 | H4 | 109.5° | 106.3° |
| H5 | C15 | H6 | 109.5° | 108.1° |
| H7 | C16 | H8 | 109.5° | 106.7° |
| 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° | 109.5° |
| H16 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.4° | 109.5° |
| H19 | C24 | H21 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H22 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.4° | 109.5° |
| H25 | C26 | H27 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H28 | C27 | H30 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H31 | C28 | H32 | 109.4° | 109.5° |
| H31 | C28 | H33 | 109.5° | 109.4° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H34 | C31 | H35 | 109.5° | 113.1° |
| H36 | C32 | H37 | 109.5° | 113.0° |
| H38 | C34 | H39 | 109.5° | 109.5° |
| H38 | C34 | H40 | 109.4° | 109.5° |
| H39 | C34 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C17 | H10 | 120.5° | 118.3° |
| C20 | C19 | C17 | H11 | 120.5° | 123.5° |
| C19 | C20 | C21 | H12 | 119.8° | 124.5° |
| C19 | C20 | C21 | H13 | 119.8° | 118.7° |
| C20 | C19 | C17 | C16 | 175.8° | 172.8° |
| C19 | C20 | C21 | N1 | 74.8° | 79.1° |
| C20 | C19 | C17 | C26 | 60.1° | 57.9° |
| C20 | C19 | C17 | C18 | 57.1° | 59.9° |
| C19 | C20 | C21 | C28 | 168.6° | 165.8° |
| C19 | C20 | C21 | C22 | 44.8° | 48.6° |
| C20 | C19 | H10 | H11 | 118.3° | 119.6° |
| C19 | C20 | H12 | H13 | 120.5° | 118.0° |
| C17 | C19 | C20 | C21 | 64.4° | 58.2° |
| C19 | C17 | C16 | C15 | 97.2° | 81.7° |
| C19 | C17 | C16 | C26 | 114.6° | 116.2° |
| C19 | C17 | C16 | C18 | 126.2° | 126.5° |
| C19 | C17 | C26 | C18 | 120.4° | 120.8° |
| C19 | C17 | C18 | C22 | 31.7° | 50.8° |
| C19 | C17 | C18 | C12 | 95.9° | 83.6° |
| C19 | C17 | C16 | H7 | 141.4° | 154.0° |
| C19 | C17 | C16 | H8 | 24.1° | 37.9° |
| C19 | C17 | C18 | H9 | 147.6° | 161.5° |
| C17 | C19 | H10 | H11 | 118.3° | 120.9° |
| C17 | C19 | C20 | H12 | 55.4° | 65.7° |
| C17 | C19 | C20 | H13 | 175.8° | 176.9° |
| 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 | 119.2° | 115.2° |
| C20 | C21 | N1 | C22 | 116.6° | 128.1° |
| C20 | C21 | N1 | C29 | 171.1° | 54.0° |
| C20 | C21 | C28 | C22 | 121.3° | 121.6° |
| C20 | C21 | C22 | C18 | 27.8° | 41.0° |
| C21 | C20 | C19 | H10 | 56.2° | 176.6° |
| C21 | C20 | C19 | H11 | 175.1° | 65.8° |
| C21 | C20 | H12 | H13 | 120.6° | 117.5° |
| C20 | C21 | C22 | H14 | 95.1° | 164.6° |
| C20 | C21 | C22 | H15 | 150.6° | 81.8° |
| C20 | C21 | C28 | H31 | 180.0° | 59.9° |
| C20 | C21 | C28 | H32 | 60.0° | 180.0° |
| C20 | C21 | C28 | H33 | 60.0° | 60.0° |
| C20 | C21 | N1 | H45 | 8.9° | 126.1° |
| O5 | C33 | C30 | C31 | 75.6° | 71.7° |
| O5 | C33 | C30 | N2 | 45.6° | 156.4° |
| O5 | C33 | C30 | O6 | 178.5° | 179.9° |
| O5 | C33 | C30 | C32 | 170.3° | 24.5° |
| O5 | C33 | O6 | C34 | 10.2° | 0.1° |
| C15 | C16 | C17 | H7 | 121.4° | 124.3° |
| C15 | C16 | C17 | H8 | 121.4° | 119.6° |
| C16 | C15 | C11 | H5 | 120.5° | 117.7° |
| C16 | C15 | C11 | H6 | 120.6° | 123.5° |
| C15 | C16 | C17 | C26 | 148.1° | 162.1° |
| C15 | C16 | C17 | C18 | 28.9° | 44.8° |
| C16 | C15 | C11 | C12 | 63.3° | 63.4° |
| C16 | C15 | C11 | C9 | 177.5° | 179.8° |
| C16 | C15 | C11 | C24 | 53.8° | 58.1° |
| C16 | C15 | H5 | H6 | 118.4° | 120.2° |
| C15 | C16 | H7 | H8 | 115.6° | 117.7° |
| C17 | C16 | C15 | C11 | 48.6° | 56.4° |
| C16 | C17 | C26 | C18 | 123.2° | 121.3° |
| C16 | C17 | C18 | C22 | 156.0° | 176.4° |
| C16 | C17 | C18 | C12 | 28.4° | 42.1° |
| C17 | C16 | C15 | H5 | 71.9° | 174.1° |
| C17 | C16 | C15 | H6 | 169.1° | 67.5° |
| C17 | C16 | H7 | H8 | 115.6° | 116.8° |
| C16 | C17 | C18 | H9 | 88.1° | 72.8° |
| C16 | C17 | C19 | H10 | 63.6° | 54.5° |
| C16 | C17 | C19 | H11 | 55.3° | 63.7° |
| C16 | C17 | C26 | H25 | 63.6° | 60.0° |
| C16 | C17 | C26 | H26 | 56.4° | 180.0° |
| C16 | C17 | C26 | H27 | 176.4° | 60.0° |
| C30 | C31 | O4 | H34 | 115.4° | 114.1° |
| C30 | C31 | O4 | H35 | 115.5° | 114.2° |
| C31 | C30 | N2 | C33 | 116.5° | 132.0° |
| C31 | C30 | N2 | C32 | 119.0° | 96.2° |
| C31 | C30 | N2 | C29 | 154.8° | 160.5° |
| C31 | C30 | C33 | C32 | 114.1° | 96.2° |
| C31 | C30 | C33 | O6 | 105.9° | 108.3° |
| C30 | C31 | O4 | C32 | 16.4° | 24.2° |
| C30 | C31 | H34 | H35 | 131.9° | 132.1° |
| C31 | C30 | C32 | H36 | 134.8° | 91.6° |
| C31 | C30 | C32 | H37 | 96.1° | 136.9° |
| C31 | C30 | N2 | H46 | 25.2° | 19.6° |
| O4 | C31 | C30 | N2 | 146.3° | 91.6° |
| O4 | C31 | C30 | C33 | 103.8° | 136.8° |
| O4 | C31 | H34 | H35 | 131.9° | 132.1° |
| C31 | O4 | C32 | H36 | 131.8° | 89.9° |
| C31 | O4 | C32 | H37 | 99.2° | 138.3° |
| C30 | N2 | C29 | H46 | 180.0° | 179.9° |
| C30 | N2 | C29 | N1 | 175.2° | 174.6° |
| N2 | C30 | C33 | C32 | 124.7° | 131.9° |
| N2 | C30 | C33 | O6 | 132.8° | 23.7° |
| C30 | N2 | C29 | O3 | 5.7° | 5.4° |
| N2 | C30 | C32 | O4 | 145.9° | 91.7° |
| N2 | C30 | C31 | H34 | 30.8° | 22.5° |
| N2 | C30 | C31 | H35 | 98.3° | 154.2° |
| N2 | C30 | C32 | H36 | 98.6° | 154.2° |
| N2 | C30 | C32 | H37 | 30.5° | 22.7° |
| N2 | C29 | N1 | C21 | 177.5° | 180.0° |
| N2 | C29 | N1 | O3 | 179.1° | 179.9° |
| C29 | N2 | C30 | C33 | 88.6° | 67.6° |
| C29 | N2 | C30 | C32 | 35.8° | 64.3° |
| N2 | C29 | N1 | H45 | 2.5° | 0.1° |
| C15 | C11 | C12 | C27 | 60.5° | 63.0° |
| C15 | C11 | C9 | C8 | 17.6° | 11.3° |
| C15 | C11 | C12 | C9 | 125.8° | 118.8° |
| C15 | C11 | C12 | C24 | 115.5° | 119.7° |
| C15 | C11 | C9 | C24 | 122.8° | 120.4° |
| C15 | C11 | C12 | C18 | 62.1° | 59.7° |
| C15 | C11 | C12 | C13 | 178.2° | 178.6° |
| C15 | C11 | C9 | C10 | 161.1° | 169.0° |
| C11 | C15 | H5 | H6 | 118.3° | 121.0° |
| C11 | C15 | C16 | H7 | 72.8° | 67.3° |
| C11 | C15 | C16 | H8 | 170.0° | 175.9° |
| C15 | C11 | C24 | H19 | 180.0° | 172.2° |
| C15 | C11 | C24 | H20 | 60.0° | 67.8° |
| C15 | C11 | C24 | H21 | 60.0° | 52.2° |
| C21 | N1 | C29 | H45 | 180.0° | 179.9° |
| N1 | C21 | C28 | C22 | 124.1° | 120.4° |
| C21 | N1 | C29 | O3 | 1.6° | 0.0° |
| N1 | C21 | C22 | C18 | 87.0° | 85.7° |
| N1 | C21 | C20 | H12 | 165.4° | 156.4° |
| N1 | C21 | C20 | H13 | 45.0° | 39.5° |
| N1 | C21 | C22 | H14 | 150.2° | 38.0° |
| N1 | C21 | C22 | H15 | 35.8° | 151.5° |
| N1 | C21 | C28 | H31 | 65.4° | 58.1° |
| N1 | C21 | C28 | H32 | 174.6° | 62.0° |
| N1 | C21 | C28 | H33 | 54.6° | 178.0° |
| C29 | N1 | C21 | C28 | 69.7° | 61.3° |
| C29 | N1 | C21 | C22 | 54.5° | 177.9° |
| N1 | C29 | N2 | H46 | 4.8° | 5.5° |
| C26 | C17 | C18 | C22 | 84.7° | 67.3° |
| C26 | C17 | C18 | C12 | 147.7° | 158.4° |
| C26 | C17 | C16 | H7 | 26.7° | 37.8° |
| C26 | C17 | C16 | H8 | 90.5° | 78.3° |
| C26 | C17 | C18 | H9 | 31.2° | 43.5° |
| C26 | C17 | C19 | H10 | 179.4° | 60.4° |
| C26 | C17 | C19 | H11 | 60.4° | 178.6° |
| 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 | 20.3° | 41.8° |
| C17 | C18 | C12 | C27 | 74.1° | 70.1° |
| C17 | C18 | C12 | C11 | 47.1° | 49.8° |
| C17 | C18 | C22 | C12 | 130.5° | 134.8° |
| C17 | C18 | C22 | H9 | 115.8° | 111.5° |
| C17 | C18 | C12 | H9 | 117.2° | 114.4° |
| C17 | C18 | C12 | C13 | 166.1° | 169.8° |
| C18 | C17 | C16 | H7 | 92.5° | 79.5° |
| C18 | C17 | C16 | H8 | 150.3° | 164.4° |
| C18 | C17 | C19 | H10 | 63.4° | 178.2° |
| C18 | C17 | C19 | H11 | 177.7° | 63.6° |
| C17 | C18 | C22 | H14 | 102.5° | 165.0° |
| C17 | C18 | C22 | H15 | 143.1° | 81.1° |
| C18 | C17 | C26 | H25 | 59.6° | 178.8° |
| C18 | C17 | C26 | H26 | 179.6° | 58.8° |
| C18 | C17 | C26 | H27 | 60.5° | 61.2° |
| C33 | C30 | C32 | O4 | 99.3° | 136.8° |
| C30 | C33 | O6 | C34 | 171.4° | 180.0° |
| C33 | C30 | C31 | H34 | 140.8° | 109.1° |
| C33 | C30 | C31 | H35 | 11.7° | 22.6° |
| C33 | C30 | C32 | H36 | 16.2° | 22.7° |
| C33 | C30 | C32 | H37 | 145.2° | 108.9° |
| C33 | C30 | N2 | H46 | 91.4° | 112.4° |
| O6 | C33 | C30 | C32 | 8.2° | 155.5° |
| C33 | O6 | C34 | H38 | 180.0° | 60.0° |
| C33 | O6 | C34 | H39 | 60.0° | 60.1° |
| C33 | O6 | C34 | H40 | 60.0° | 180.0° |
| C30 | C32 | O4 | H36 | 115.5° | 114.1° |
| C30 | C32 | O4 | H37 | 115.5° | 114.2° |
| C32 | C30 | C31 | H34 | 96.1° | 136.7° |
| C32 | C30 | C31 | H35 | 134.8° | 91.6° |
| C30 | C32 | H36 | H37 | 131.9° | 131.9° |
| C32 | C30 | N2 | H46 | 144.2° | 115.7° |
| C28 | C21 | C22 | C18 | 151.3° | 158.0° |
| C28 | C21 | C20 | H12 | 48.8° | 41.3° |
| C28 | C21 | C20 | H13 | 71.6° | 75.5° |
| C28 | C21 | C22 | H14 | 28.5° | 78.3° |
| C28 | C21 | C22 | H15 | 85.9° | 35.2° |
| C21 | C28 | H31 | H32 | 120.0° | 120.1° |
| C21 | C28 | H31 | H33 | 120.0° | 120.0° |
| C21 | C28 | H32 | H33 | 120.0° | 120.0° |
| C28 | C21 | N1 | H45 | 110.3° | 118.7° |
| C21 | C22 | C18 | H14 | 122.8° | 123.3° |
| C21 | C22 | C18 | H15 | 122.8° | 122.8° |
| C21 | C22 | C18 | C12 | 110.2° | 93.1° |
| C21 | C22 | C18 | H9 | 136.1° | 153.3° |
| C22 | C21 | C20 | H12 | 75.0° | 75.9° |
| C22 | C21 | C20 | H13 | 164.6° | 167.2° |
| C21 | C22 | H14 | H15 | 110.2° | 115.7° |
| C22 | C21 | C28 | H31 | 58.7° | 178.5° |
| C22 | C21 | C28 | H32 | 61.3° | 58.5° |
| C22 | C21 | C28 | H33 | 178.7° | 61.5° |
| C22 | C21 | N1 | H45 | 125.5° | 2.1° |
| O3 | C29 | N1 | H45 | 178.4° | 180.0° |
| O3 | C29 | N2 | H46 | 174.3° | 174.5° |
| C27 | C12 | C11 | C18 | 122.6° | 122.6° |
| C27 | C12 | C11 | C13 | 117.7° | 115.6° |
| C27 | C12 | C11 | C9 | 65.3° | 55.8° |
| C27 | C12 | C11 | C24 | 176.0° | 177.3° |
| C27 | C12 | C18 | C22 | 54.4° | 63.1° |
| C27 | C12 | C18 | C13 | 119.8° | 120.2° |
| C27 | C12 | C13 | C14 | 52.3° | 50.4° |
| C27 | C12 | C13 | H1 | 172.9° | 174.0° |
| C27 | C12 | C13 | H2 | 68.4° | 68.1° |
| C27 | C12 | C18 | H9 | 168.8° | 175.5° |
| C12 | C27 | H28 | H29 | 120.0° | 120.0° |
| C12 | C27 | H28 | H30 | 120.0° | 120.0° |
| C12 | C27 | H29 | H30 | 120.0° | 120.0° |
| C23 | C1 | C2 | C7 | 0.1° | 0.6° |
| C23 | C1 | C2 | C6 | 179.9° | 179.8° |
| C23 | C1 | C2 | C3 | 179.8° | 179.3° |
| C23 | C1 | C6 | O2 | 0.2° | 0.1° |
| C23 | C1 | C6 | C5 | 180.0° | 179.9° |
| C1 | C23 | H16 | H17 | 120.0° | 120.0° |
| C1 | C23 | H16 | H18 | 120.0° | 120.0° |
| C1 | C23 | H17 | H18 | 120.0° | 120.0° |
| C7 | C8 | C9 | H44 | 180.0° | 179.7° |
| C8 | C7 | C2 | H42 | 180.0° | 177.0° |
| C7 | C8 | C9 | C11 | 179.5° | 176.5° |
| C7 | C8 | C9 | C10 | 2.1° | 3.9° |
| C8 | C7 | C2 | C1 | 159.8° | 170.4° |
| C8 | C7 | C2 | C3 | 20.1° | 9.7° |
| C9 | C8 | C7 | C2 | 23.3° | 9.1° |
| C8 | C9 | C11 | C12 | 135.7° | 128.9° |
| C8 | C9 | C11 | C10 | 178.7° | 179.7° |
| C8 | C9 | C11 | C24 | 105.2° | 109.1° |
| C8 | C9 | C10 | C3 | 17.7° | 14.2° |
| C8 | C9 | C10 | C14 | 139.2° | 138.0° |
| C8 | C9 | C10 | C25 | 96.4° | 102.3° |
| C9 | C8 | C7 | H42 | 156.7° | 173.8° |
| C7 | C2 | C1 | C3 | 179.9° | 179.9° |
| C7 | C2 | C1 | C6 | 180.0° | 179.2° |
| C7 | C2 | C3 | C10 | 0.8° | 2.0° |
| C7 | C2 | C3 | C4 | 179.7° | 178.8° |
| C2 | C7 | C8 | H44 | 156.7° | 171.2° |
| C32 | O4 | C31 | H34 | 99.1° | 138.3° |
| C32 | O4 | C31 | H35 | 131.8° | 90.0° |
| O4 | C32 | H36 | H37 | 131.9° | 132.2° |
| O6 | C34 | H38 | H39 | 120.0° | 120.0° |
| O6 | C34 | H38 | H40 | 120.0° | 120.0° |
| O6 | C34 | H39 | H40 | 120.0° | 120.0° |
| C12 | C11 | C9 | C24 | 119.1° | 122.0° |
| C11 | C12 | C18 | C22 | 175.6° | 176.9° |
| C11 | C12 | C18 | C13 | 119.0° | 119.9° |
| C12 | C11 | C9 | C10 | 43.0° | 51.4° |
| C11 | C12 | C13 | C14 | 65.6° | 65.2° |
| C11 | C12 | C13 | H1 | 55.0° | 58.4° |
| C11 | C12 | C13 | H2 | 173.7° | 176.2° |
| C12 | C11 | C15 | H5 | 57.3° | 178.8° |
| C12 | C11 | C15 | H6 | 176.2° | 60.1° |
| C11 | C12 | C18 | H9 | 70.0° | 64.5° |
| C12 | C11 | C24 | H19 | 66.0° | 52.7° |
| C12 | C11 | C24 | H20 | 174.0° | 172.7° |
| C12 | C11 | C24 | H21 | 54.0° | 67.4° |
| C11 | C12 | C27 | H28 | 180.0° | 38.4° |
| C11 | C12 | C27 | H29 | 60.0° | 158.3° |
| C11 | C12 | C27 | H30 | 60.0° | 81.6° |
| C9 | C11 | C12 | C18 | 172.0° | 178.5° |
| C9 | C11 | C12 | C13 | 52.4° | 59.7° |
| C11 | C9 | C10 | C3 | 160.5° | 166.1° |
| C11 | C9 | C10 | C14 | 39.0° | 42.3° |
| C11 | C9 | C10 | C25 | 85.4° | 77.4° |
| C9 | C11 | C15 | H5 | 61.9° | 62.0° |
| C9 | C11 | C15 | H6 | 57.0° | 56.7° |
| C9 | C11 | C24 | H19 | 51.4° | 66.5° |
| C9 | C11 | C24 | H20 | 68.6° | 53.5° |
| C9 | C11 | C24 | H21 | 171.4° | 173.4° |
| C11 | C9 | C8 | H44 | 0.5° | 3.8° |
| C24 | C11 | C12 | C18 | 53.4° | 60.0° |
| C24 | C11 | C12 | C13 | 66.3° | 61.7° |
| C24 | C11 | C9 | C10 | 76.1° | 70.6° |
| C24 | C11 | C15 | H5 | 174.4° | 59.6° |
| C24 | C11 | C15 | H6 | 66.7° | 178.4° |
| C11 | C24 | H19 | H20 | 120.0° | 120.0° |
| C11 | C24 | H19 | H21 | 120.0° | 120.0° |
| C11 | C24 | H20 | H21 | 120.0° | 119.9° |
| C22 | C18 | C12 | H9 | 114.4° | 112.4° |
| C22 | C18 | C12 | C13 | 65.5° | 57.0° |
| C18 | C22 | H14 | H15 | 110.3° | 116.0° |
| C18 | C12 | C13 | C14 | 173.8° | 173.3° |
| C18 | C12 | C13 | H1 | 65.6° | 63.1° |
| C18 | C12 | C13 | H2 | 53.2° | 54.8° |
| C12 | C18 | C22 | H14 | 127.0° | 30.2° |
| C12 | C18 | C22 | H15 | 12.6° | 144.1° |
| C18 | C12 | C27 | H28 | 57.7° | 160.1° |
| C18 | C12 | C27 | H29 | 62.3° | 80.0° |
| C18 | C12 | C27 | H30 | 177.7° | 40.1° |
| C12 | C13 | C14 | H1 | 120.6° | 123.5° |
| C12 | C13 | C14 | H2 | 120.6° | 118.5° |
| C12 | C13 | C14 | C10 | 61.3° | 55.7° |
| C12 | C13 | H1 | H2 | 118.1° | 118.2° |
| C12 | C13 | C14 | H3 | 178.3° | 69.3° |
| C12 | C13 | C14 | H4 | 59.1° | 174.5° |
| C13 | C12 | C18 | H9 | 48.9° | 55.4° |
| C13 | C12 | C27 | H28 | 62.5° | 77.6° |
| C13 | C12 | C27 | H29 | 177.5° | 42.3° |
| C13 | C12 | C27 | H30 | 57.5° | 162.4° |
| C9 | C10 | C3 | C2 | 16.0° | 13.2° |
| C9 | C10 | C14 | C13 | 44.4° | 41.9° |
| C9 | C10 | C3 | C14 | 122.7° | 125.1° |
| C9 | C10 | C3 | C25 | 119.0° | 119.0° |
| C9 | C10 | C3 | C4 | 164.9° | 167.6° |
| C9 | C10 | C14 | C25 | 125.4° | 120.5° |
| C9 | C10 | C14 | H3 | 164.8° | 83.6° |
| C9 | C10 | C14 | H4 | 76.0° | 160.6° |
| C9 | C10 | C25 | H22 | 180.0° | 173.6° |
| C9 | C10 | C25 | H23 | 60.0° | 53.6° |
| C9 | C10 | C25 | H24 | 60.0° | 66.4° |
| C10 | C9 | C8 | H44 | 177.9° | 175.9° |
| C2 | C1 | C6 | O2 | 179.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C1 | C2 | C3 | C10 | 179.3° | 178.0° |
| C1 | C2 | C3 | C4 | 0.3° | 1.3° |
| C2 | C1 | C23 | H16 | 180.0° | 89.9° |
| C2 | C1 | C23 | H17 | 60.0° | 150.0° |
| C2 | C1 | C23 | H18 | 60.0° | 30.1° |
| C1 | C2 | C7 | H42 | 20.2° | 6.7° |
| C6 | C1 | C2 | C3 | 0.1° | 0.9° |
| C1 | C6 | O2 | C5 | 179.8° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.4° |
| C1 | C6 | C5 | O1 | 180.0° | 179.6° |
| C6 | C1 | C23 | H16 | 0.1° | 90.2° |
| C6 | C1 | C23 | H17 | 119.9° | 29.8° |
| C6 | C1 | C23 | H18 | 120.1° | 149.8° |
| C1 | C6 | O2 | H48 | 180.0° | 180.0° |
| C2 | C3 | C10 | C4 | 179.0° | 179.2° |
| C2 | C3 | C10 | C14 | 138.7° | 138.2° |
| C2 | C3 | C10 | C25 | 103.0° | 105.8° |
| C2 | C3 | C4 | C5 | 0.3° | 0.8° |
| C2 | C3 | C4 | H41 | 179.7° | 179.2° |
| C3 | C2 | C7 | H42 | 159.9° | 173.2° |
| O2 | C6 | C5 | C4 | 179.9° | 179.8° |
| O2 | C6 | C5 | O1 | 0.2° | 0.1° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C6 | C5 | C4 | O1 | 179.9° | 179.9° |
| C6 | C5 | C4 | H41 | 179.9° | 180.0° |
| C5 | C6 | O2 | H48 | 0.2° | 0.2° |
| C13 | C14 | C10 | C3 | 164.2° | 167.3° |
| C13 | C14 | C10 | H3 | 120.4° | 125.5° |
| C13 | C14 | C10 | H4 | 120.4° | 118.7° |
| C13 | C14 | C10 | C25 | 81.0° | 78.6° |
| C14 | C13 | H1 | H2 | 118.1° | 118.3° |
| C13 | C14 | H3 | H4 | 118.7° | 117.1° |
| C3 | C10 | C14 | C25 | 114.8° | 114.1° |
| C10 | C3 | C4 | C5 | 179.2° | 178.4° |
| C3 | C10 | C14 | H3 | 75.4° | 41.8° |
| C3 | C10 | C14 | H4 | 43.8° | 74.0° |
| C3 | C10 | C25 | H22 | 64.1° | 52.7° |
| C3 | C10 | C25 | H23 | 55.9° | 67.3° |
| C3 | C10 | C25 | H24 | 175.9° | 172.7° |
| C10 | C3 | C4 | H41 | 0.7° | 1.6° |
| C4 | C3 | C10 | C14 | 42.2° | 42.5° |
| C4 | C3 | C10 | C25 | 76.0° | 73.4° |
| C3 | C4 | C5 | H41 | 180.0° | 180.0° |
| C3 | C4 | C5 | O1 | 179.8° | 180.0° |
| C10 | C14 | C13 | H1 | 59.3° | 67.8° |
| C10 | C14 | C13 | H2 | 178.0° | 174.2° |
| C10 | C14 | H3 | H4 | 118.7° | 116.7° |
| C14 | C10 | C25 | H22 | 54.4° | 64.4° |
| C14 | C10 | C25 | H23 | 174.4° | 175.7° |
| C14 | C10 | C25 | H24 | 65.6° | 55.7° |
| C25 | C10 | C14 | H3 | 39.4° | 155.9° |
| C25 | C10 | C14 | H4 | 158.5° | 40.1° |
| C10 | C25 | H22 | H23 | 120.0° | 120.0° |
| C10 | C25 | H22 | H24 | 120.0° | 120.0° |
| C10 | C25 | H23 | H24 | 120.0° | 120.0° |
| O1 | C5 | C4 | H41 | 0.2° | 0.0° |
| H1 | C13 | C14 | H3 | 61.1° | 167.2° |
| H1 | C13 | C14 | H4 | 179.7° | 51.0° |
| H2 | C13 | C14 | H3 | 57.6° | 49.2° |
| H2 | C13 | C14 | H4 | 61.6° | 67.1° |
| H5 | C15 | C16 | H7 | 166.7° | 50.4° |
| H5 | C15 | C16 | H8 | 49.4° | 66.4° |
| H6 | C15 | C16 | H7 | 47.8° | 168.8° |
| H6 | C15 | C16 | H8 | 69.5° | 52.0° |
| H9 | C18 | C22 | H14 | 13.3° | 83.5° |
| H9 | C18 | C22 | H15 | 101.1° | 30.5° |
| H10 | C19 | C20 | H12 | 176.0° | 52.7° |
| H10 | C19 | C20 | H13 | 63.7° | 64.7° |
| H11 | C19 | C20 | H12 | 65.1° | 170.2° |
| H11 | C19 | C20 | H13 | 55.3° | 52.9° |
| H16 | C23 | H17 | H18 | 120.0° | 120.0° |
| H19 | C24 | H20 | H21 | 120.0° | 120.0° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
| H25 | C26 | H26 | H27 | 120.0° | 120.0° |
| H28 | C27 | H29 | H30 | 120.0° | 120.0° |
| H31 | C28 | H32 | H33 | 120.0° | 119.9° |
| H38 | C34 | H39 | H40 | 120.0° | 120.0° |
| H42 | C7 | C8 | H44 | 23.3° | 5.9° |
