KYO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| C45 | C43 | sing | 1.53Å | 1.55Å | |
| C43 | C42 | sing | 1.53Å | 1.56Å | |
| C30 | C16 | sing | 1.52Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.52Å | 1.55Å | |
| C31 | C20 | sing | 1.53Å | 1.50Å | |
| C42 | N4 | sing | 1.50Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.43Å | |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C41 | N4 | sing | 1.50Å | 1.57Å | |
| C41 | C39 | sing | 1.52Å | 1.56Å | |
| C40 | N4 | sing | 1.49Å | 1.57Å | |
| C40 | C38 | sing | 1.52Å | 1.56Å | |
| C15 | O11 | doub | 1.22Å | 1.22Å | |
| C15 | N1 | sing | 1.34Å | 1.50Å | |
| N1 | C2 | sing | 1.39Å | 1.46Å | |
| C39 | C37 | sing | 1.51Å | 1.60Å | |
| C32 | C22 | sing | 1.53Å | 1.52Å | |
| N2 | C37 | sing | 1.50Å | 1.36Å | |
| N2 | C3 | sing | 1.43Å | 1.36Å | |
| C38 | C37 | sing | 1.52Å | 1.58Å | |
| C21 | C22 | sing | 1.52Å | 1.56Å | |
| C21 | O10 | sing | 1.43Å | 1.38Å | |
| C22 | C23 | sing | 1.54Å | 1.56Å | |
| C37 | N3 | sing | 1.50Å | 1.35Å | |
| C33 | C24 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | doub | 1.42Å | 1.49Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.52Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | O9 | sing | 1.43Å | 1.37Å | |
| N3 | C4 | sing | 1.44Å | 1.30Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C4 | C10 | doub | 1.40Å | 1.46Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.33Å | |
| C1 | C9 | doub | 1.41Å | 1.52Å | Aromatic |
| O7 | C25 | sing | 1.45Å | 1.38Å | |
| O7 | C35 | sing | 1.35Å | 1.39Å | |
| C52 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C52 | C51 | sing | 1.40Å | 1.39Å | Aromatic |
| C47 | C48 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.42Å | 1.55Å | Aromatic |
| C10 | C5 | sing | 1.47Å | 1.51Å | Aromatic |
| C34 | C26 | sing | 1.53Å | 1.50Å | |
| C35 | C51 | sing | 1.48Å | 1.48Å | |
| C35 | O8 | doub | 1.21Å | 1.18Å | |
| C9 | C8 | sing | 1.41Å | 1.58Å | Aromatic |
| C51 | C50 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C48 | C49 | doub | 1.38Å | 1.39Å | Aromatic |
| O4 | C11 | doub | 1.21Å | 1.26Å | |
| C50 | C49 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C11 | sing | 1.42Å | 1.40Å | |
| C5 | C6 | doub | 1.41Å | 1.48Å | Aromatic |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C8 | O2 | sing | 1.36Å | 1.28Å | |
| C8 | C7 | doub | 1.38Å | 1.54Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | O6 | sing | 1.43Å | 1.38Å | |
| C28 | C29 | sing | 1.52Å | 1.41Å | |
| O6 | C36 | sing | 1.43Å | 1.39Å | |
| C6 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | O3 | sing | 1.38Å | 1.38Å | |
| C7 | C14 | sing | 1.51Å | 1.51Å | |
| C12 | O5 | sing | 1.39Å | 1.40Å | |
| C12 | C13 | sing | 1.54Å | 1.50Å | |
| C12 | O3 | sing | 1.46Å | 1.47Å | |
| C29 | O5 | sing | 1.42Å | 1.55Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.10Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.10Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.10Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.10Å | 1.10Å | |
| C28 | H11 | sing | 1.10Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.11Å | 1.10Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.10Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.10Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.10Å | 1.10Å | |
| C29 | H39 | sing | 1.10Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.11Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C41 | H51 | sing | 1.09Å | 1.10Å | |
| C41 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.09Å | 1.10Å | |
| C42 | H54 | sing | 1.09Å | 1.10Å | |
| C43 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C44 | H57 | sing | 1.09Å | 1.10Å | |
| C44 | H58 | sing | 1.09Å | 1.10Å | |
| C45 | H59 | sing | 1.09Å | 1.10Å | |
| C45 | H60 | sing | 1.09Å | 1.10Å | |
| C45 | H61 | sing | 1.09Å | 1.10Å | |
| C47 | H62 | sing | 1.08Å | 1.08Å | |
| C48 | H63 | sing | 1.08Å | 1.08Å | |
| C49 | H64 | sing | 1.08Å | 1.08Å | |
| C50 | H65 | sing | 1.08Å | 1.08Å | |
| C52 | H66 | sing | 1.08Å | 1.08Å | |
| N1 | H67 | sing | 0.99Å | 1.00Å | |
| N2 | H68 | sing | 1.07Å | 1.00Å | |
| N3 | H69 | sing | 1.07Å | 1.00Å | |
| O10 | H71 | sing | 0.97Å | 0.95Å | |
| O2 | H72 | sing | 0.97Å | 0.95Å | |
| O9 | H73 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | C43 | C45 | 111.1° | 109.5° |
| C44 | C43 | C42 | 111.0° | 109.5° |
| C44 | C43 | H55 | 107.9° | 109.5° |
| C43 | C44 | H56 | 109.5° | 109.5° |
| C43 | C44 | H57 | 109.5° | 109.5° |
| C43 | C44 | H58 | 109.4° | 109.4° |
| C45 | C43 | C42 | 111.1° | 109.4° |
| C45 | C43 | H55 | 107.8° | 109.5° |
| C43 | C45 | H59 | 109.5° | 109.5° |
| C43 | C45 | H60 | 109.5° | 109.5° |
| C43 | C45 | H61 | 109.5° | 109.4° |
| C43 | C42 | N4 | 137.0° | 109.5° |
| C43 | C42 | H53 | 102.2° | 109.4° |
| C43 | C42 | H54 | 102.2° | 109.5° |
| C42 | C43 | H55 | 107.7° | 109.5° |
| C30 | C16 | C17 | 105.6° | 111.7° |
| C30 | C16 | C15 | 111.5° | 109.9° |
| C16 | C30 | H24 | 109.5° | 109.5° |
| C16 | C30 | H25 | 109.5° | 109.4° |
| C16 | C30 | H26 | 109.5° | 109.5° |
| C30 | C16 | H36 | 107.0° | 108.6° |
| C18 | C17 | C16 | 123.8° | 111.3° |
| C17 | C18 | C19 | 122.0° | 109.8° |
| C18 | C17 | H19 | 105.8° | 108.9° |
| C18 | C17 | H20 | 105.7° | 108.7° |
| C17 | C18 | H21 | 106.3° | 110.3° |
| C17 | C18 | H22 | 106.2° | 107.1° |
| C17 | C16 | C15 | 119.0° | 110.9° |
| C16 | C17 | H19 | 105.8° | 110.3° |
| C16 | C17 | H20 | 105.8° | 109.3° |
| C17 | C16 | H36 | 106.5° | 108.1° |
| C31 | C20 | C19 | 107.8° | 110.6° |
| C31 | C20 | C21 | 113.0° | 110.5° |
| C20 | C31 | H13 | 109.5° | 109.4° |
| C20 | C31 | H14 | 109.5° | 109.4° |
| C20 | C31 | H15 | 109.5° | 109.4° |
| C31 | C20 | H23 | 107.9° | 109.5° |
| C42 | N4 | C41 | 87.7° | 105.9° |
| C42 | N4 | C40 | 86.9° | 106.1° |
| N4 | C42 | H53 | 102.2° | 109.5° |
| N4 | C42 | H54 | 102.2° | 109.5° |
| C18 | C19 | C20 | 112.3° | 112.2° |
| C18 | C19 | H4 | 108.8° | 108.7° |
| C18 | C19 | H5 | 108.7° | 109.4° |
| C19 | C18 | H21 | 106.2° | 108.5° |
| C19 | C18 | H22 | 106.3° | 110.5° |
| C16 | C15 | O11 | 120.3° | 117.4° |
| C16 | C15 | N1 | 121.4° | 123.2° |
| C15 | C16 | H36 | 106.6° | 107.5° |
| C19 | C20 | C21 | 113.2° | 108.0° |
| C20 | C19 | H4 | 108.7° | 109.2° |
| C20 | C19 | H5 | 108.7° | 109.0° |
| C19 | C20 | H23 | 107.5° | 108.5° |
| C20 | C21 | C22 | 116.1° | 113.8° |
| C20 | C21 | O10 | 107.9° | 108.6° |
| C20 | C21 | H6 | 106.8° | 107.9° |
| C21 | C20 | H23 | 107.3° | 109.7° |
| N4 | C41 | C39 | 112.1° | 112.6° |
| C41 | N4 | C40 | 111.7° | 106.5° |
| N4 | C41 | H51 | 108.9° | 107.4° |
| N4 | C41 | H52 | 108.8° | 107.4° |
| C41 | C39 | C37 | 122.6° | 111.9° |
| C41 | C39 | H47 | 106.1° | 108.0° |
| C41 | C39 | H48 | 106.1° | 111.5° |
| C39 | C41 | H51 | 108.8° | 110.2° |
| C39 | C41 | H52 | 108.8° | 110.2° |
| N4 | C40 | C38 | 110.6° | 112.7° |
| N4 | C40 | H49 | 109.2° | 107.4° |
| N4 | C40 | H50 | 109.2° | 107.7° |
| C40 | C38 | C37 | 122.2° | 112.1° |
| C40 | C38 | H16 | 106.2° | 111.9° |
| C40 | C38 | H17 | 106.2° | 107.8° |
| C38 | C40 | H49 | 109.2° | 109.9° |
| C38 | C40 | H50 | 109.2° | 109.9° |
| O11 | C15 | N1 | 118.2° | 119.3° |
| C15 | N1 | C2 | 124.3° | 124.1° |
| C15 | N1 | H67 | 117.8° | 117.9° |
| N1 | C2 | C3 | 115.8° | 117.8° |
| N1 | C2 | C1 | 124.2° | 123.9° |
| C2 | N1 | H67 | 117.8° | 118.0° |
| C39 | C37 | N2 | 109.6° | 110.7° |
| C39 | C37 | C38 | 112.8° | 112.6° |
| C39 | C37 | N3 | 107.9° | 111.2° |
| C37 | C39 | H47 | 106.1° | 108.2° |
| C37 | C39 | H48 | 106.1° | 111.0° |
| C32 | C22 | C21 | 112.0° | 110.3° |
| C32 | C22 | C23 | 111.0° | 108.6° |
| C32 | C22 | H7 | 107.2° | 109.7° |
| C22 | C32 | H27 | 109.5° | 109.5° |
| C22 | C32 | H28 | 109.5° | 109.5° |
| C22 | C32 | H29 | 109.5° | 109.4° |
| C37 | N2 | C3 | 108.6° | 101.0° |
| N2 | C37 | C38 | 111.5° | 109.9° |
| N2 | C37 | N3 | 108.0° | 102.0° |
| C37 | N2 | H68 | 109.7° | 102.3° |
| N2 | C3 | C2 | 133.6° | 129.3° |
| N2 | C3 | C4 | 105.0° | 109.8° |
| C3 | N2 | H68 | 109.7° | 101.4° |
| C38 | C37 | N3 | 106.9° | 109.9° |
| C37 | C38 | H16 | 106.2° | 110.7° |
| C37 | C38 | H17 | 106.2° | 107.7° |
| C22 | C21 | O10 | 110.3° | 109.3° |
| C21 | C22 | C23 | 112.7° | 109.4° |
| C22 | C21 | H6 | 106.7° | 109.0° |
| C21 | C22 | H7 | 106.8° | 111.1° |
| O10 | C21 | H6 | 108.9° | 108.1° |
| C21 | O10 | H71 | 109.5° | 114.0° |
| C22 | C23 | C24 | 114.4° | 110.8° |
| C22 | C23 | O9 | 110.4° | 110.3° |
| C23 | C22 | H7 | 106.7° | 107.7° |
| C22 | C23 | H8 | 106.2° | 107.8° |
| C37 | N3 | C4 | 109.8° | 101.1° |
| C37 | N3 | H69 | 109.4° | 102.1° |
| C33 | C24 | C23 | 108.5° | 108.2° |
| C33 | C24 | C25 | 107.4° | 109.6° |
| C33 | C24 | H9 | 107.8° | 108.5° |
| C24 | C33 | H41 | 109.5° | 109.4° |
| C24 | C33 | H42 | 109.5° | 109.4° |
| C24 | C33 | H43 | 109.5° | 109.5° |
| C2 | C3 | C4 | 121.2° | 120.9° |
| C3 | C2 | C1 | 120.1° | 118.1° |
| C3 | C4 | N3 | 107.7° | 108.8° |
| C3 | C4 | C10 | 122.4° | 121.5° |
| C2 | C1 | O1 | 121.1° | 119.4° |
| C2 | C1 | C9 | 118.3° | 120.7° |
| C24 | C23 | O9 | 110.7° | 110.6° |
| C23 | C24 | C25 | 118.5° | 111.4° |
| C24 | C23 | H8 | 106.3° | 108.5° |
| C23 | C24 | H9 | 107.2° | 108.8° |
| O9 | C23 | H8 | 108.5° | 108.8° |
| C23 | O9 | H73 | 109.5° | 114.0° |
| N3 | C4 | C10 | 129.3° | 129.7° |
| C4 | N3 | H69 | 109.4° | 101.6° |
| C24 | C25 | O7 | 108.0° | 109.0° |
| C24 | C25 | C26 | 112.4° | 111.8° |
| C25 | C24 | H9 | 107.1° | 110.3° |
| C24 | C25 | H37 | 106.9° | 109.7° |
| C4 | C10 | C9 | 119.1° | 117.0° |
| C4 | C10 | C5 | 124.6° | 123.5° |
| O1 | C1 | C9 | 120.5° | 119.9° |
| C1 | O1 | H18 | 109.5° | 114.0° |
| C1 | C9 | C10 | 118.8° | 120.3° |
| C1 | C9 | C8 | 120.9° | 121.7° |
| C25 | O7 | C35 | 112.8° | 116.9° |
| O7 | C25 | C26 | 113.1° | 108.5° |
| O7 | C25 | H37 | 109.2° | 108.9° |
| O7 | C35 | C51 | 111.1° | 119.9° |
| O7 | C35 | O8 | 123.4° | 120.0° |
| C47 | C52 | C51 | 120.1° | 119.9° |
| C52 | C47 | C48 | 120.0° | 120.1° |
| C52 | C47 | H62 | 120.0° | 120.0° |
| C47 | C52 | H66 | 119.9° | 120.1° |
| C52 | C51 | C35 | 123.8° | 120.2° |
| C52 | C51 | C50 | 119.6° | 119.7° |
| C51 | C52 | H66 | 120.0° | 120.1° |
| C47 | C48 | C49 | 120.1° | 120.3° |
| C48 | C47 | H62 | 120.0° | 119.9° |
| C47 | C48 | H63 | 119.9° | 119.8° |
| C25 | C26 | C34 | 107.9° | 110.2° |
| C25 | C26 | C27 | 118.4° | 111.2° |
| C25 | C26 | H10 | 107.4° | 109.3° |
| C26 | C25 | H37 | 106.9° | 108.9° |
| C9 | C10 | C5 | 116.2° | 119.5° |
| C10 | C9 | C8 | 120.3° | 118.0° |
| C10 | C5 | C11 | 133.4° | 134.6° |
| C10 | C5 | C6 | 120.2° | 118.2° |
| C34 | C26 | C27 | 107.2° | 109.4° |
| C34 | C26 | H10 | 108.1° | 108.6° |
| C26 | C34 | H30 | 109.5° | 109.5° |
| C26 | C34 | H31 | 109.5° | 109.5° |
| C26 | C34 | H32 | 109.5° | 109.5° |
| C51 | C35 | O8 | 125.5° | 120.0° |
| C35 | C51 | C50 | 116.6° | 120.2° |
| C9 | C8 | O2 | 120.6° | 120.6° |
| C9 | C8 | C7 | 118.9° | 121.0° |
| C51 | C50 | C49 | 120.6° | 119.8° |
| C51 | C50 | H65 | 119.7° | 120.1° |
| C26 | C27 | C28 | 112.2° | 111.0° |
| C26 | C27 | O6 | 109.7° | 110.5° |
| C27 | C26 | H10 | 107.6° | 108.1° |
| C26 | C27 | H38 | 107.3° | 108.6° |
| C48 | C49 | C50 | 119.6° | 120.2° |
| C49 | C48 | H63 | 119.9° | 119.9° |
| C48 | C49 | H64 | 120.2° | 119.9° |
| O4 | C11 | C5 | 132.0° | 128.3° |
| O4 | C11 | C12 | 119.4° | 129.8° |
| C50 | C49 | H64 | 120.2° | 119.9° |
| C49 | C50 | H65 | 119.7° | 120.1° |
| C11 | C5 | C6 | 106.4° | 107.1° |
| C5 | C11 | C12 | 108.6° | 101.9° |
| C5 | C6 | C7 | 127.3° | 119.8° |
| C5 | C6 | O3 | 111.2° | 110.4° |
| C11 | C12 | O5 | 104.2° | 113.9° |
| C11 | C12 | C13 | 114.6° | 108.6° |
| C11 | C12 | O3 | 105.1° | 101.3° |
| O2 | C8 | C7 | 120.5° | 118.3° |
| C8 | O2 | H72 | 109.5° | 114.0° |
| C8 | C7 | C6 | 116.8° | 122.1° |
| C8 | C7 | C14 | 119.3° | 118.5° |
| C28 | C27 | O6 | 110.9° | 109.7° |
| C27 | C28 | C29 | 125.3° | 111.8° |
| C27 | C28 | H11 | 105.4° | 108.5° |
| C27 | C28 | H12 | 105.4° | 110.0° |
| C28 | C27 | H38 | 107.2° | 108.3° |
| C27 | O6 | C36 | 119.8° | 114.0° |
| O6 | C27 | H38 | 109.4° | 108.7° |
| C28 | C29 | O5 | 126.5° | 114.1° |
| C29 | C28 | H11 | 105.4° | 108.7° |
| C29 | C28 | H12 | 105.4° | 110.1° |
| C28 | C29 | H39 | 105.0° | 108.0° |
| C28 | C29 | H40 | 105.0° | 109.5° |
| O6 | C36 | H44 | 109.5° | 109.5° |
| O6 | C36 | H45 | 109.5° | 109.4° |
| O6 | C36 | H46 | 109.5° | 109.5° |
| C7 | C6 | O3 | 121.5° | 129.7° |
| C6 | C7 | C14 | 123.9° | 119.4° |
| C6 | O3 | C12 | 108.4° | 102.4° |
| C7 | C14 | H33 | 109.5° | 109.5° |
| C7 | C14 | H34 | 109.4° | 109.5° |
| C7 | C14 | H35 | 109.5° | 109.4° |
| O5 | C12 | C13 | 114.4° | 112.5° |
| O5 | C12 | O3 | 107.9° | 115.1° |
| C12 | O5 | C29 | 126.8° | 121.6° |
| C13 | C12 | O3 | 110.0° | 104.5° |
| C12 | C13 | H1 | 109.5° | 109.4° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C12 | C13 | H3 | 109.4° | 109.4° |
| O5 | C29 | H39 | 105.1° | 107.9° |
| O5 | C29 | H40 | 105.1° | 109.8° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H4 | C19 | H5 | 109.5° | 108.2° |
| H11 | C28 | H12 | 109.5° | 107.6° |
| H13 | C31 | H14 | 109.5° | 109.5° |
| H13 | C31 | H15 | 109.4° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.5° |
| H16 | C38 | H17 | 109.4° | 106.3° |
| H19 | C17 | H20 | 109.5° | 108.3° |
| H21 | C18 | H22 | 109.5° | 110.6° |
| H24 | C30 | H25 | 109.4° | 109.5° |
| H24 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.4° |
| H27 | C32 | H29 | 109.5° | 109.5° |
| H28 | C32 | H29 | 109.5° | 109.5° |
| H30 | C34 | H31 | 109.4° | 109.5° |
| H30 | C34 | H32 | 109.5° | 109.4° |
| H31 | C34 | H32 | 109.5° | 109.5° |
| H33 | C14 | H34 | 109.5° | 109.5° |
| H33 | C14 | H35 | 109.5° | 109.5° |
| H34 | C14 | H35 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 107.4° |
| H41 | C33 | H42 | 109.5° | 109.4° |
| H41 | C33 | H43 | 109.5° | 109.5° |
| H42 | C33 | H43 | 109.4° | 109.5° |
| H44 | C36 | H45 | 109.4° | 109.5° |
| H44 | C36 | H46 | 109.5° | 109.6° |
| H45 | C36 | H46 | 109.5° | 109.4° |
| H47 | C39 | H48 | 109.5° | 106.0° |
| H49 | C40 | H50 | 109.5° | 109.0° |
| H51 | C41 | H52 | 109.5° | 108.9° |
| H53 | C42 | H54 | 109.5° | 109.5° |
| H56 | C44 | H57 | 109.5° | 109.4° |
| H56 | C44 | H58 | 109.5° | 109.5° |
| H57 | C44 | H58 | 109.5° | 109.5° |
| H59 | C45 | H60 | 109.4° | 109.5° |
| H59 | C45 | H61 | 109.5° | 109.4° |
| H60 | C45 | H61 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | C43 | C45 | C42 | 124.1° | 120.0° |
| C44 | C43 | C45 | H55 | 118.1° | 120.0° |
| C44 | C43 | C42 | H55 | 117.9° | 120.0° |
| C44 | C43 | C42 | N4 | 116.7° | 175.0° |
| C44 | C43 | C42 | H53 | 119.9° | 65.0° |
| C44 | C43 | C42 | H54 | 6.6° | 55.0° |
| C43 | C44 | H56 | H57 | 120.0° | 120.0° |
| C43 | C44 | H56 | H58 | 120.0° | 119.9° |
| C43 | C44 | H57 | H58 | 120.0° | 120.0° |
| C44 | C43 | C45 | H59 | 180.0° | 60.0° |
| C44 | C43 | C45 | H60 | 60.0° | 180.0° |
| C44 | C43 | C45 | H61 | 60.0° | 60.0° |
| C45 | C43 | C42 | H55 | 117.9° | 120.0° |
| C45 | C43 | C42 | N4 | 119.1° | 65.0° |
| C45 | C43 | C42 | H53 | 4.3° | 55.0° |
| C45 | C43 | C42 | H54 | 117.6° | 175.0° |
| C45 | C43 | C44 | H56 | 180.0° | 60.0° |
| C45 | C43 | C44 | H57 | 60.0° | 60.0° |
| C45 | C43 | C44 | H58 | 60.0° | 180.0° |
| C43 | C45 | H59 | H60 | 120.0° | 120.0° |
| C43 | C45 | H59 | H61 | 120.0° | 119.9° |
| C43 | C45 | H60 | H61 | 120.0° | 120.0° |
| C43 | C42 | N4 | H53 | 123.3° | 120.0° |
| C43 | C42 | N4 | H54 | 123.3° | 120.0° |
| C43 | C42 | N4 | C41 | 125.2° | 77.1° |
| C43 | C42 | N4 | C40 | 122.9° | 170.0° |
| C43 | C42 | H53 | H54 | 107.8° | 120.0° |
| C42 | C43 | C44 | H56 | 55.8° | 60.0° |
| C42 | C43 | C44 | H57 | 64.2° | 180.0° |
| C42 | C43 | C44 | H58 | 175.8° | 60.0° |
| C42 | C43 | C45 | H59 | 55.9° | 60.1° |
| C42 | C43 | C45 | H60 | 175.9° | 60.0° |
| C42 | C43 | C45 | H61 | 64.2° | 180.0° |
| C30 | C16 | C17 | C18 | 151.8° | 33.7° |
| C30 | C16 | C17 | C15 | 126.2° | 123.0° |
| C30 | C16 | C17 | H36 | 113.5° | 119.4° |
| C30 | C16 | C15 | H36 | 116.4° | 118.0° |
| C30 | C16 | C15 | O11 | 31.3° | 89.9° |
| C30 | C16 | C15 | N1 | 145.4° | 93.6° |
| C30 | C16 | C17 | H19 | 86.2° | 87.2° |
| C30 | C16 | C17 | H20 | 29.9° | 153.8° |
| C16 | C30 | H24 | H25 | 120.0° | 120.0° |
| C16 | C30 | H24 | H26 | 120.0° | 120.0° |
| C16 | C30 | H25 | H26 | 120.0° | 120.0° |
| C18 | C17 | C16 | H19 | 122.0° | 121.0° |
| C18 | C17 | C16 | H20 | 121.9° | 120.1° |
| C17 | C18 | C19 | H21 | 121.8° | 120.6° |
| C17 | C18 | C19 | H22 | 121.7° | 118.0° |
| C18 | C17 | C16 | C15 | 25.6° | 156.7° |
| C17 | C18 | C19 | C20 | 158.6° | 178.7° |
| C17 | C18 | C19 | H4 | 38.2° | 60.5° |
| C17 | C18 | C19 | H5 | 81.0° | 57.5° |
| C18 | C17 | H19 | H20 | 113.5° | 118.1° |
| C17 | C18 | H21 | H22 | 114.3° | 118.3° |
| C18 | C17 | C16 | H36 | 94.7° | 85.7° |
| C16 | C17 | C18 | C19 | 107.2° | 153.9° |
| C17 | C16 | C15 | H36 | 120.2° | 118.0° |
| C17 | C16 | C15 | O11 | 154.7° | 146.1° |
| C17 | C16 | C15 | N1 | 22.0° | 30.4° |
| C16 | C17 | H19 | H20 | 113.6° | 119.5° |
| C16 | C17 | C18 | H21 | 14.6° | 34.3° |
| C16 | C17 | C18 | H22 | 131.1° | 86.1° |
| C17 | C16 | C30 | H24 | 180.0° | 53.1° |
| C17 | C16 | C30 | H25 | 60.0° | 173.1° |
| C17 | C16 | C30 | H26 | 60.0° | 66.9° |
| C31 | C20 | C19 | C18 | 23.5° | 26.6° |
| C31 | C20 | C19 | C21 | 125.7° | 121.0° |
| C31 | C20 | C19 | H23 | 116.0° | 120.2° |
| C31 | C20 | C21 | H23 | 118.8° | 120.8° |
| C31 | C20 | C21 | C22 | 56.2° | 43.2° |
| C31 | C20 | C21 | O10 | 179.5° | 165.1° |
| C31 | C20 | C19 | H4 | 97.0° | 147.2° |
| C31 | C20 | C19 | H5 | 143.9° | 94.8° |
| C31 | C20 | C21 | H6 | 62.5° | 77.9° |
| C20 | C31 | H13 | H14 | 120.0° | 119.9° |
| C20 | C31 | H13 | H15 | 120.0° | 119.9° |
| C20 | C31 | H14 | H15 | 120.0° | 120.0° |
| C42 | N4 | C41 | C40 | 85.7° | 112.6° |
| C42 | N4 | C41 | C39 | 139.9° | 51.6° |
| C42 | N4 | C40 | C38 | 145.8° | 51.9° |
| C42 | N4 | C40 | H49 | 94.1° | 69.3° |
| C42 | N4 | C40 | H50 | 25.6° | 173.4° |
| C42 | N4 | C41 | H51 | 19.5° | 173.1° |
| C42 | N4 | C41 | H52 | 99.7° | 69.9° |
| N4 | C42 | H53 | H54 | 107.8° | 120.0° |
| N4 | C42 | C43 | H55 | 1.2° | 55.0° |
| C18 | C19 | C20 | H4 | 120.4° | 120.6° |
| C18 | C19 | C20 | H5 | 120.4° | 121.4° |
| C18 | C19 | C20 | C21 | 102.2° | 147.6° |
| C18 | C19 | H4 | H5 | 118.7° | 118.8° |
| C19 | C18 | C17 | H19 | 14.8° | 84.4° |
| C19 | C18 | C17 | H20 | 130.9° | 33.5° |
| C19 | C18 | H21 | H22 | 114.3° | 121.4° |
| C18 | C19 | C20 | H23 | 139.5° | 93.6° |
| C16 | C15 | O11 | N1 | 176.8° | 176.6° |
| C16 | C15 | N1 | C2 | 155.1° | 46.3° |
| C15 | C16 | C17 | H19 | 147.6° | 35.8° |
| C15 | C16 | C17 | H20 | 96.3° | 83.2° |
| C15 | C16 | C30 | H24 | 49.3° | 70.5° |
| C15 | C16 | C30 | H25 | 169.3° | 49.6° |
| C15 | C16 | C30 | H26 | 70.7° | 169.6° |
| C16 | C15 | N1 | H67 | 24.9° | 132.8° |
| C19 | C20 | C21 | H23 | 118.4° | 118.1° |
| C19 | C20 | C21 | C22 | 179.0° | 164.3° |
| C19 | C20 | C21 | O10 | 56.6° | 73.8° |
| C20 | C19 | H4 | H5 | 118.7° | 118.5° |
| C19 | C20 | C21 | H6 | 60.3° | 43.2° |
| C19 | C20 | C31 | H13 | 180.0° | 60.0° |
| C19 | C20 | C31 | H14 | 60.0° | 180.0° |
| C19 | C20 | C31 | H15 | 60.0° | 60.0° |
| C20 | C19 | C18 | H21 | 79.6° | 60.7° |
| C20 | C19 | C18 | H22 | 36.9° | 60.7° |
| C20 | C21 | C22 | C32 | 60.4° | 63.9° |
| C20 | C21 | C22 | O10 | 123.1° | 121.6° |
| C20 | C21 | C22 | H6 | 118.8° | 120.4° |
| C20 | C21 | O10 | H6 | 115.5° | 116.8° |
| C20 | C21 | C22 | C23 | 173.5° | 176.6° |
| C21 | C20 | C19 | H4 | 137.4° | 91.8° |
| C21 | C20 | C19 | H5 | 18.2° | 26.2° |
| C20 | C21 | C22 | H7 | 56.7° | 57.9° |
| C21 | C20 | C31 | H13 | 54.2° | 179.5° |
| C21 | C20 | C31 | H14 | 65.8° | 60.5° |
| C21 | C20 | C31 | H15 | 174.2° | 59.5° |
| C20 | C21 | O10 | H71 | 180.0° | 55.3° |
| N4 | C41 | C39 | H51 | 120.4° | 119.9° |
| N4 | C41 | C39 | H52 | 120.4° | 119.9° |
| C41 | N4 | C40 | C38 | 59.5° | 60.6° |
| N4 | C41 | C39 | C37 | 26.0° | 55.9° |
| N4 | C41 | C39 | H47 | 147.8° | 174.9° |
| N4 | C41 | C39 | H48 | 95.8° | 69.0° |
| C41 | N4 | C40 | H49 | 179.7° | 178.2° |
| C41 | N4 | C40 | H50 | 60.7° | 60.9° |
| N4 | C41 | H51 | H52 | 118.9° | 116.0° |
| C41 | N4 | C42 | H53 | 111.4° | 163.0° |
| C41 | N4 | C42 | H54 | 1.9° | 43.0° |
| C39 | C41 | N4 | C40 | 54.2° | 61.0° |
| C41 | C39 | C37 | H47 | 121.8° | 118.9° |
| C41 | C39 | C37 | H48 | 121.8° | 125.2° |
| C41 | C39 | C37 | N2 | 121.5° | 170.7° |
| C41 | C39 | C37 | C38 | 3.3° | 47.2° |
| C41 | C39 | C37 | N3 | 121.1° | 76.7° |
| C41 | C39 | H47 | H48 | 114.1° | 119.6° |
| C39 | C41 | H51 | H52 | 118.8° | 120.9° |
| N4 | C40 | C38 | H49 | 120.2° | 119.8° |
| N4 | C40 | C38 | H50 | 120.2° | 120.2° |
| N4 | C40 | C38 | C37 | 37.0° | 55.0° |
| N4 | C40 | C38 | H16 | 84.8° | 70.1° |
| N4 | C40 | C38 | H17 | 158.8° | 173.4° |
| N4 | C40 | H49 | H50 | 119.5° | 116.4° |
| C40 | N4 | C41 | H51 | 66.2° | 60.5° |
| C40 | N4 | C41 | H52 | 174.6° | 177.5° |
| C40 | N4 | C42 | H53 | 0.4° | 50.0° |
| C40 | N4 | C42 | H54 | 113.8° | 70.0° |
| C40 | C38 | C37 | C39 | 9.2° | 46.8° |
| C40 | C38 | C37 | N2 | 114.6° | 170.7° |
| C40 | C38 | C37 | H16 | 121.8° | 125.7° |
| C40 | C38 | C37 | H17 | 121.8° | 118.4° |
| C40 | C38 | C37 | N3 | 127.6° | 77.7° |
| C40 | C38 | H16 | H17 | 114.3° | 117.4° |
| C38 | C40 | H49 | H50 | 119.5° | 120.6° |
| O11 | C15 | N1 | C2 | 28.1° | 137.3° |
| O11 | C15 | C16 | H36 | 85.1° | 28.1° |
| O11 | C15 | N1 | H67 | 151.9° | 43.7° |
| C15 | N1 | C2 | H67 | 180.0° | 179.1° |
| C15 | N1 | C2 | C3 | 107.8° | 129.9° |
| C15 | N1 | C2 | C1 | 73.8° | 45.0° |
| N1 | C15 | C16 | H36 | 98.2° | 148.4° |
| N1 | C2 | C3 | N2 | 3.5° | 15.5° |
| N1 | C2 | C3 | C1 | 178.4° | 175.2° |
| N1 | C2 | C3 | C4 | 177.9° | 166.1° |
| N1 | C2 | C1 | O1 | 2.3° | 10.7° |
| N1 | C2 | C1 | C9 | 179.0° | 168.2° |
| C39 | C37 | N2 | C38 | 125.6° | 125.0° |
| C39 | C37 | N2 | N3 | 117.3° | 118.4° |
| C39 | C37 | N2 | C3 | 118.5° | 157.3° |
| C39 | C37 | C38 | N3 | 118.4° | 124.5° |
| C39 | C37 | N3 | C4 | 113.3° | 157.2° |
| C39 | C37 | C38 | H16 | 112.6° | 78.9° |
| C39 | C37 | C38 | H17 | 131.0° | 165.2° |
| C37 | C39 | H47 | H48 | 114.1° | 119.1° |
| C37 | C39 | C41 | H51 | 94.4° | 64.0° |
| C37 | C39 | C41 | H52 | 146.4° | 175.8° |
| C39 | C37 | N2 | H68 | 121.7° | 98.3° |
| C39 | C37 | N3 | H69 | 6.7° | 52.6° |
| C32 | C22 | C21 | C23 | 126.0° | 119.4° |
| C32 | C22 | C21 | H7 | 117.1° | 121.8° |
| C32 | C22 | C21 | O10 | 62.7° | 57.7° |
| C32 | C22 | C23 | H7 | 116.5° | 118.7° |
| C32 | C22 | C23 | C24 | 158.8° | 102.8° |
| C32 | C22 | C23 | O9 | 75.5° | 134.5° |
| C32 | C22 | C21 | H6 | 179.2° | 175.7° |
| C32 | C22 | C23 | H8 | 41.9° | 15.8° |
| C22 | C32 | H27 | H28 | 120.0° | 120.0° |
| C22 | C32 | H27 | H29 | 120.0° | 120.0° |
| C22 | C32 | H28 | H29 | 120.0° | 119.9° |
| C37 | N2 | C3 | H68 | 119.9° | 105.1° |
| N2 | C37 | C38 | N3 | 117.8° | 111.5° |
| C37 | N2 | C3 | C2 | 178.7° | 153.8° |
| C37 | N2 | C3 | C4 | 6.3° | 24.7° |
| N2 | C37 | N3 | C4 | 5.1° | 39.1° |
| N2 | C37 | C38 | H16 | 123.6° | 45.0° |
| N2 | C37 | C38 | H17 | 7.1° | 70.9° |
| N2 | C37 | C39 | H47 | 0.3° | 70.4° |
| N2 | C37 | C39 | H48 | 116.7° | 45.4° |
| N2 | C37 | N3 | H69 | 125.1° | 65.5° |
| C3 | N2 | C37 | C38 | 115.9° | 77.6° |
| C3 | N2 | C37 | N3 | 1.2° | 39.0° |
| N2 | C3 | C2 | C4 | 174.4° | 178.4° |
| N2 | C3 | C2 | C1 | 178.1° | 169.3° |
| N2 | C3 | C4 | N3 | 9.4° | 0.2° |
| N2 | C3 | C4 | C10 | 178.9° | 178.3° |
| C38 | C37 | N3 | C4 | 125.1° | 77.5° |
| C37 | C38 | H16 | H17 | 114.2° | 116.7° |
| C38 | C37 | C39 | H47 | 125.1° | 166.1° |
| C38 | C37 | C39 | H48 | 118.5° | 78.0° |
| C37 | C38 | C40 | H49 | 157.2° | 174.8° |
| C37 | C38 | C40 | H50 | 83.2° | 65.1° |
| C38 | C37 | N2 | H68 | 3.9° | 26.8° |
| C38 | C37 | N3 | H69 | 114.8° | 177.9° |
| C22 | C21 | O10 | H6 | 116.7° | 118.5° |
| C21 | C22 | C23 | H7 | 116.9° | 120.8° |
| C21 | C22 | C23 | C24 | 74.6° | 136.7° |
| C21 | C22 | C23 | O9 | 51.1° | 14.0° |
| C21 | C22 | C23 | H8 | 168.5° | 104.7° |
| C22 | C21 | C20 | H23 | 62.5° | 77.7° |
| C21 | C22 | C32 | H27 | 180.0° | 60.0° |
| C21 | C22 | C32 | H28 | 60.0° | 180.0° |
| C21 | C22 | C32 | H29 | 60.0° | 60.1° |
| C22 | C21 | O10 | H71 | 52.2° | 179.9° |
| O10 | C21 | C22 | C23 | 63.4° | 61.7° |
| O10 | C21 | C22 | H7 | 179.8° | 179.5° |
| O10 | C21 | C20 | H23 | 61.8° | 44.3° |
| C22 | C23 | C24 | C33 | 56.3° | 151.0° |
| C22 | C23 | C24 | O9 | 125.5° | 122.5° |
| C22 | C23 | C24 | H8 | 116.9° | 118.2° |
| C22 | C23 | O9 | H8 | 116.0° | 118.0° |
| C22 | C23 | C24 | C25 | 179.0° | 88.4° |
| C23 | C22 | C21 | H6 | 54.7° | 56.3° |
| C22 | C23 | C24 | H9 | 59.8° | 33.3° |
| C23 | C22 | C32 | H27 | 53.0° | 59.9° |
| C23 | C22 | C32 | H28 | 173.0° | 60.1° |
| C23 | C22 | C32 | H29 | 67.0° | 179.9° |
| C22 | C23 | O9 | H73 | 180.0° | 60.0° |
| C37 | N3 | C4 | C3 | 9.0° | 25.0° |
| C37 | N3 | C4 | H69 | 120.1° | 105.0° |
| C37 | N3 | C4 | C10 | 180.0° | 153.4° |
| N3 | C37 | C38 | H16 | 5.8° | 156.5° |
| N3 | C37 | C38 | H17 | 110.7° | 40.7° |
| N3 | C37 | C39 | H47 | 117.1° | 42.2° |
| N3 | C37 | C39 | H48 | 0.7° | 158.1° |
| N3 | C37 | N2 | H68 | 121.1° | 143.4° |
| C33 | C24 | C23 | C25 | 122.7° | 120.6° |
| C33 | C24 | C23 | H9 | 116.1° | 117.7° |
| C33 | C24 | C23 | O9 | 178.2° | 86.5° |
| C33 | C24 | C25 | H9 | 115.5° | 119.4° |
| C33 | C24 | C25 | O7 | 35.5° | 52.0° |
| C33 | C24 | C25 | C26 | 90.0° | 68.0° |
| C33 | C24 | C23 | H8 | 60.6° | 32.8° |
| C33 | C24 | C25 | H37 | 152.9° | 171.1° |
| C24 | C33 | H41 | H42 | 120.0° | 119.9° |
| C24 | C33 | H41 | H43 | 120.0° | 120.0° |
| C24 | C33 | H42 | H43 | 120.0° | 120.1° |
| C2 | C3 | C4 | N3 | 174.8° | 178.8° |
| C2 | C3 | C4 | C10 | 3.1° | 0.4° |
| C3 | C2 | C1 | O1 | 175.9° | 174.4° |
| C3 | C2 | C1 | C9 | 2.8° | 6.7° |
| C3 | C2 | N1 | H67 | 72.2° | 49.2° |
| C2 | C3 | N2 | H68 | 58.8° | 48.8° |
| C4 | C3 | C2 | C1 | 3.7° | 9.1° |
| C3 | C4 | N3 | C10 | 171.0° | 178.3° |
| C3 | C4 | C10 | C9 | 1.5° | 10.4° |
| C3 | C4 | C10 | C5 | 175.7° | 168.3° |
| C4 | C3 | N2 | H68 | 126.1° | 129.8° |
| C3 | C4 | N3 | H69 | 129.0° | 80.0° |
| C2 | C1 | O1 | C9 | 178.7° | 178.9° |
| C2 | C1 | C9 | C10 | 1.3° | 4.3° |
| C2 | C1 | C9 | C8 | 179.9° | 176.1° |
| C2 | C1 | O1 | H18 | 180.0° | 84.9° |
| C1 | C2 | N1 | H67 | 106.2° | 135.9° |
| C24 | C23 | O9 | H8 | 116.2° | 119.1° |
| C23 | C24 | C25 | H9 | 121.2° | 120.8° |
| C23 | C24 | C25 | O7 | 87.7° | 67.7° |
| C23 | C24 | C25 | C26 | 146.8° | 172.3° |
| C24 | C23 | C22 | H7 | 42.3° | 15.9° |
| C23 | C24 | C25 | H37 | 29.7° | 51.4° |
| C23 | C24 | C33 | H41 | 180.0° | 60.1° |
| C23 | C24 | C33 | H42 | 60.0° | 180.0° |
| C23 | C24 | C33 | H43 | 60.0° | 59.9° |
| C24 | C23 | O9 | H73 | 52.3° | 177.2° |
| O9 | C23 | C24 | C25 | 55.5° | 34.1° |
| O9 | C23 | C22 | H7 | 168.0° | 106.8° |
| O9 | C23 | C24 | H9 | 65.7° | 155.8° |
| N3 | C4 | C10 | C9 | 171.4° | 167.7° |
| N3 | C4 | C10 | C5 | 5.8° | 13.6° |
| C24 | C25 | O7 | C26 | 125.1° | 122.0° |
| C24 | C25 | O7 | H37 | 115.9° | 119.6° |
| C24 | C25 | O7 | C35 | 95.2° | 120.6° |
| C24 | C25 | C26 | H37 | 117.0° | 121.4° |
| C24 | C25 | C26 | C34 | 47.9° | 64.7° |
| C24 | C25 | C26 | C27 | 169.7° | 173.8° |
| C25 | C24 | C23 | H8 | 62.1° | 153.4° |
| C24 | C25 | C26 | H10 | 68.4° | 54.5° |
| C25 | C24 | C33 | H41 | 50.8° | 61.6° |
| C25 | C24 | C33 | H42 | 170.8° | 58.3° |
| C25 | C24 | C33 | H43 | 69.2° | 178.4° |
| C4 | C10 | C9 | C1 | 0.7° | 12.7° |
| C4 | C10 | C9 | C5 | 177.4° | 178.7° |
| C4 | C10 | C9 | C8 | 179.5° | 167.7° |
| C4 | C10 | C5 | C11 | 3.4° | 12.6° |
| C4 | C10 | C5 | C6 | 174.6° | 168.6° |
| C10 | C4 | N3 | H69 | 60.0° | 101.7° |
| O1 | C1 | C9 | C10 | 177.4° | 174.6° |
| O1 | C1 | C9 | C8 | 1.4° | 5.0° |
| C1 | C9 | C10 | C8 | 178.8° | 179.6° |
| C1 | C9 | C10 | C5 | 176.8° | 166.0° |
| C1 | C9 | C8 | O2 | 6.9° | 7.1° |
| C1 | C9 | C8 | C7 | 173.5° | 173.0° |
| C9 | C1 | O1 | H18 | 1.3° | 96.2° |
| O7 | C25 | C26 | H37 | 120.3° | 118.3° |
| O7 | C25 | C26 | C34 | 170.5° | 175.0° |
| C25 | O7 | C35 | C51 | 170.3° | 174.7° |
| C25 | O7 | C35 | O8 | 11.3° | 5.3° |
| O7 | C25 | C26 | C27 | 67.7° | 53.5° |
| O7 | C25 | C24 | H9 | 151.0° | 171.4° |
| O7 | C25 | C26 | H10 | 54.3° | 65.8° |
| O7 | C35 | C51 | C52 | 8.7° | 0.2° |
| C35 | O7 | C25 | C26 | 139.7° | 117.4° |
| O7 | C35 | C51 | O8 | 178.4° | 180.0° |
| O7 | C35 | C51 | C50 | 172.0° | 180.0° |
| C35 | O7 | C25 | H37 | 20.7° | 0.9° |
| C47 | C52 | C51 | H66 | 180.0° | 179.6° |
| C52 | C47 | C48 | H62 | 180.0° | 179.8° |
| C47 | C52 | C51 | C35 | 179.0° | 179.8° |
| C47 | C52 | C51 | C50 | 0.3° | 0.5° |
| C52 | C47 | C48 | C49 | 0.2° | 0.2° |
| C52 | C47 | C48 | H63 | 179.8° | 179.8° |
| C51 | C52 | C47 | C48 | 0.0° | 0.4° |
| C52 | C51 | C35 | C50 | 179.3° | 179.8° |
| C52 | C51 | C35 | O8 | 169.7° | 179.8° |
| C52 | C51 | C50 | C49 | 0.5° | 0.2° |
| C51 | C52 | C47 | H62 | 180.0° | 179.7° |
| C52 | C51 | C50 | H65 | 179.5° | 179.9° |
| C47 | C48 | C49 | H63 | 180.0° | 179.9° |
| C47 | C48 | C49 | C50 | 0.0° | 0.0° |
| C47 | C48 | C49 | H64 | 180.0° | 180.0° |
| C48 | C47 | C52 | H66 | 180.0° | 180.0° |
| C25 | C26 | C34 | C27 | 128.5° | 122.5° |
| C25 | C26 | C34 | H10 | 115.8° | 119.7° |
| C25 | C26 | C27 | H10 | 121.8° | 120.0° |
| C25 | C26 | C27 | C28 | 158.1° | 49.6° |
| C25 | C26 | C27 | O6 | 34.3° | 72.3° |
| C26 | C25 | C24 | H9 | 25.5° | 51.4° |
| C25 | C26 | C34 | H30 | 180.0° | 62.5° |
| C25 | C26 | C34 | H31 | 60.0° | 57.5° |
| C25 | C26 | C34 | H32 | 60.0° | 177.6° |
| C25 | C26 | C27 | H38 | 84.4° | 168.5° |
| C9 | C10 | C5 | C11 | 179.3° | 166.1° |
| C9 | C10 | C5 | C6 | 2.7° | 12.8° |
| C10 | C9 | C8 | O2 | 174.3° | 173.3° |
| C10 | C9 | C8 | C7 | 5.3° | 6.6° |
| C5 | C10 | C9 | C8 | 2.1° | 13.6° |
| C10 | C5 | C11 | O4 | 5.5° | 19.5° |
| C10 | C5 | C11 | C6 | 178.2° | 178.9° |
| C10 | C5 | C11 | C12 | 172.5° | 160.5° |
| C10 | C5 | C6 | C7 | 4.9° | 4.7° |
| C10 | C5 | C6 | O3 | 173.9° | 174.0° |
| C34 | C26 | C27 | H10 | 116.0° | 118.1° |
| C34 | C26 | C27 | C28 | 35.9° | 72.4° |
| C34 | C26 | C27 | O6 | 87.8° | 165.7° |
| C26 | C34 | H30 | H31 | 120.0° | 120.0° |
| C26 | C34 | H30 | H32 | 120.0° | 120.0° |
| C26 | C34 | H31 | H32 | 120.0° | 120.1° |
| C34 | C26 | C25 | H37 | 69.2° | 56.7° |
| C34 | C26 | C27 | H38 | 153.5° | 46.5° |
| C35 | C51 | C50 | C49 | 178.9° | 180.0° |
| C35 | C51 | C50 | H65 | 1.1° | 0.1° |
| C35 | C51 | C52 | H66 | 1.0° | 0.2° |
| O8 | C35 | C51 | C50 | 9.6° | 0.0° |
| C9 | C8 | O2 | C7 | 179.5° | 179.9° |
| C9 | C8 | C7 | C6 | 3.5° | 1.5° |
| C9 | C8 | C7 | C14 | 175.7° | 179.0° |
| C9 | C8 | O2 | H72 | 180.0° | 89.9° |
| C51 | C50 | C49 | C48 | 0.3° | 0.0° |
| C51 | C50 | C49 | H65 | 180.0° | 179.9° |
| C51 | C50 | C49 | H64 | 179.7° | 180.0° |
| C50 | C51 | C52 | H66 | 179.7° | 179.9° |
| C26 | C27 | C28 | O6 | 123.0° | 122.4° |
| C26 | C27 | C28 | H38 | 117.6° | 119.1° |
| C26 | C27 | O6 | H38 | 117.4° | 119.1° |
| C26 | C27 | C28 | C29 | 155.8° | 145.6° |
| C26 | C27 | O6 | C36 | 142.8° | 150.0° |
| C26 | C27 | C28 | H11 | 82.1° | 94.6° |
| C26 | C27 | C28 | H12 | 33.7° | 22.9° |
| C27 | C26 | C34 | H30 | 51.5° | 60.0° |
| C27 | C26 | C34 | H31 | 68.5° | 180.0° |
| C27 | C26 | C34 | H32 | 171.5° | 59.9° |
| C27 | C26 | C25 | H37 | 52.6° | 64.9° |
| C48 | C49 | C50 | H64 | 180.0° | 180.0° |
| C49 | C48 | C47 | H62 | 179.8° | 180.0° |
| C48 | C49 | C50 | H65 | 179.7° | 179.9° |
| O4 | C11 | C5 | C12 | 178.0° | 180.0° |
| O4 | C11 | C5 | C6 | 176.3° | 161.5° |
| O4 | C11 | C12 | O5 | 69.9° | 19.8° |
| O4 | C11 | C12 | C13 | 56.0° | 106.3° |
| O4 | C11 | C12 | O3 | 176.8° | 144.0° |
| C50 | C49 | C48 | H63 | 180.0° | 180.0° |
| C11 | C5 | C6 | C7 | 176.6° | 174.4° |
| C11 | C5 | C6 | O3 | 4.5° | 6.9° |
| C5 | C11 | C12 | O5 | 108.4° | 160.1° |
| C5 | C11 | C12 | C13 | 125.7° | 73.7° |
| C5 | C11 | C12 | O3 | 4.9° | 35.9° |
| C6 | C5 | C11 | C12 | 5.6° | 18.4° |
| C5 | C6 | C7 | C8 | 1.6° | 2.4° |
| C5 | C6 | C7 | O3 | 178.8° | 178.4° |
| C5 | C6 | C7 | C14 | 179.3° | 178.2° |
| C5 | C6 | O3 | C12 | 1.4° | 30.6° |
| C11 | C12 | O3 | C6 | 2.1° | 40.0° |
| C11 | C12 | O5 | C13 | 125.9° | 124.1° |
| C11 | C12 | O5 | O3 | 111.3° | 116.4° |
| C11 | C12 | C13 | O3 | 118.1° | 107.5° |
| C11 | C12 | O5 | C29 | 76.5° | 23.0° |
| C11 | C12 | C13 | H1 | 180.0° | 59.9° |
| C11 | C12 | C13 | H2 | 60.0° | 180.0° |
| C11 | C12 | C13 | H3 | 60.0° | 60.0° |
| O2 | C8 | C7 | C6 | 176.1° | 178.6° |
| O2 | C8 | C7 | C14 | 4.8° | 0.9° |
| C8 | C7 | C6 | C14 | 179.1° | 179.5° |
| C8 | C7 | C6 | O3 | 177.2° | 179.2° |
| C8 | C7 | C14 | H33 | 90.4° | 90.6° |
| C8 | C7 | C14 | H34 | 149.6° | 29.5° |
| C8 | C7 | C14 | H35 | 29.6° | 149.5° |
| C7 | C8 | O2 | H72 | 0.4° | 90.0° |
| C28 | C27 | O6 | H38 | 118.1° | 118.3° |
| C27 | C28 | C29 | H11 | 122.1° | 119.8° |
| C27 | C28 | C29 | H12 | 122.1° | 122.6° |
| C28 | C27 | O6 | C36 | 92.7° | 87.3° |
| C27 | C28 | C29 | O5 | 141.4° | 114.7° |
| C28 | C27 | C26 | H10 | 80.1° | 169.5° |
| C27 | C28 | H11 | H12 | 112.9° | 119.0° |
| C27 | C28 | C29 | H39 | 19.2° | 5.2° |
| C27 | C28 | C29 | H40 | 96.3° | 121.8° |
| O6 | C27 | C28 | C29 | 81.1° | 92.1° |
| O6 | C27 | C26 | H10 | 156.1° | 47.6° |
| O6 | C27 | C28 | H11 | 41.0° | 27.8° |
| O6 | C27 | C28 | H12 | 156.8° | 145.3° |
| C27 | O6 | C36 | H44 | 180.0° | 180.0° |
| C27 | O6 | C36 | H45 | 60.0° | 60.0° |
| C27 | O6 | C36 | H46 | 60.0° | 59.9° |
| C28 | C29 | O5 | C12 | 51.4° | 62.9° |
| C28 | C29 | O5 | H39 | 122.3° | 120.0° |
| C28 | C29 | O5 | H40 | 122.3° | 123.3° |
| C29 | C28 | H11 | H12 | 112.9° | 119.3° |
| C29 | C28 | C27 | H38 | 38.2° | 26.5° |
| C28 | C29 | H39 | H40 | 112.3° | 118.0° |
| C36 | O6 | C27 | H38 | 25.4° | 30.9° |
| O6 | C36 | H44 | H45 | 120.0° | 120.0° |
| O6 | C36 | H44 | H46 | 120.0° | 120.1° |
| O6 | C36 | H45 | H46 | 120.0° | 120.0° |
| C7 | C6 | O3 | C12 | 179.7° | 150.9° |
| C6 | C7 | C14 | H33 | 90.5° | 90.0° |
| C6 | C7 | C14 | H34 | 29.5° | 150.0° |
| C6 | C7 | C14 | H35 | 149.5° | 30.0° |
| O3 | C6 | C7 | C14 | 1.9° | 0.2° |
| C6 | O3 | C12 | O5 | 108.7° | 163.3° |
| C6 | O3 | C12 | C13 | 125.9° | 72.8° |
| C7 | C14 | H33 | H34 | 120.0° | 120.0° |
| C7 | C14 | H33 | H35 | 120.0° | 119.9° |
| C7 | C14 | H34 | H35 | 120.0° | 120.0° |
| O5 | C12 | C13 | O3 | 121.6° | 125.6° |
| O5 | C12 | C13 | H1 | 59.7° | 67.0° |
| O5 | C12 | C13 | H2 | 179.7° | 53.0° |
| O5 | C12 | C13 | H3 | 60.3° | 173.0° |
| C12 | O5 | C29 | H39 | 173.7° | 177.1° |
| C12 | O5 | C29 | H40 | 70.8° | 60.3° |
| C13 | C12 | O5 | C29 | 157.6° | 101.2° |
| C12 | C13 | H1 | H2 | 120.0° | 120.0° |
| C12 | C13 | H1 | H3 | 120.0° | 119.9° |
| C12 | C13 | H2 | H3 | 120.0° | 119.9° |
| O3 | C12 | O5 | C29 | 34.8° | 139.3° |
| O3 | C12 | C13 | H1 | 61.9° | 167.4° |
| O3 | C12 | C13 | H2 | 58.1° | 72.5° |
| O3 | C12 | C13 | H3 | 178.1° | 47.5° |
| O5 | C29 | C28 | H11 | 96.5° | 125.5° |
| O5 | C29 | C28 | H12 | 19.3° | 7.8° |
| O5 | C29 | H39 | H40 | 112.4° | 118.3° |
| H1 | C13 | H2 | H3 | 120.0° | 120.1° |
| H4 | C19 | C18 | H21 | 159.9° | 60.1° |
| H4 | C19 | C18 | H22 | 83.6° | 178.5° |
| H4 | C19 | C20 | H23 | 19.1° | 27.0° |
| H5 | C19 | C18 | H21 | 40.7° | 178.1° |
| H5 | C19 | C18 | H22 | 157.3° | 60.4° |
| H5 | C19 | C20 | H23 | 100.1° | 145.0° |
| H6 | C21 | C22 | H7 | 62.1° | 62.5° |
| H6 | C21 | C20 | H23 | 178.7° | 161.3° |
| H6 | C21 | O10 | H71 | 64.4° | 61.5° |
| H7 | C22 | C23 | H8 | 74.6° | 134.5° |
| H7 | C22 | C32 | H27 | 63.2° | 177.3° |
| H7 | C22 | C32 | H28 | 56.8° | 57.3° |
| H7 | C22 | C32 | H29 | 176.8° | 62.6° |
| H8 | C23 | C24 | H9 | 176.7° | 84.9° |
| H8 | C23 | O9 | H73 | 64.0° | 58.0° |
| H9 | C24 | C25 | H37 | 91.5° | 69.5° |
| H9 | C24 | C33 | H41 | 64.3° | 177.9° |
| H9 | C24 | C33 | H42 | 55.8° | 62.1° |
| H9 | C24 | C33 | H43 | 175.7° | 57.9° |
| H10 | C26 | C34 | H30 | 64.2° | 177.8° |
| H10 | C26 | C34 | H31 | 175.8° | 62.1° |
| H10 | C26 | C34 | H32 | 55.8° | 57.9° |
| H10 | C26 | C25 | H37 | 174.5° | 175.9° |
| H10 | C26 | C27 | H38 | 37.4° | 71.6° |
| H11 | C28 | C27 | H38 | 160.3° | 146.3° |
| H11 | C28 | C29 | H39 | 141.3° | 114.5° |
| H11 | C28 | C29 | H40 | 25.8° | 2.1° |
| H12 | C28 | C27 | H38 | 83.9° | 96.2° |
| H12 | C28 | C29 | H39 | 103.0° | 127.8° |
| H12 | C28 | C29 | H40 | 141.6° | 115.6° |
| H13 | C31 | H14 | H15 | 120.0° | 120.1° |
| H13 | C31 | C20 | H23 | 64.2° | 59.5° |
| H14 | C31 | C20 | H23 | 175.8° | 60.4° |
| H15 | C31 | C20 | H23 | 55.8° | 179.5° |
| H16 | C38 | C40 | H49 | 35.4° | 49.7° |
| H16 | C38 | C40 | H50 | 155.0° | 169.8° |
| H17 | C38 | C40 | H49 | 81.1° | 66.8° |
| H17 | C38 | C40 | H50 | 38.6° | 53.2° |
| H19 | C17 | C18 | H21 | 136.6° | 156.1° |
| H19 | C17 | C18 | H22 | 106.9° | 35.7° |
| H19 | C17 | C16 | H36 | 27.3° | 153.4° |
| H20 | C17 | C18 | H21 | 107.4° | 86.0° |
| H20 | C17 | C18 | H22 | 9.1° | 153.5° |
| H20 | C17 | C16 | H36 | 143.4° | 34.4° |
| H24 | C30 | H25 | H26 | 120.0° | 120.0° |
| H24 | C30 | C16 | H36 | 66.8° | 172.2° |
| H25 | C30 | C16 | H36 | 53.2° | 67.8° |
| H26 | C30 | C16 | H36 | 173.2° | 52.2° |
| H27 | C32 | H28 | H29 | 120.0° | 120.1° |
| H30 | C34 | H31 | H32 | 120.0° | 119.9° |
| H33 | C14 | H34 | H35 | 120.0° | 120.0° |
| H41 | C33 | H42 | H43 | 120.0° | 120.0° |
| H44 | C36 | H45 | H46 | 120.0° | 120.1° |
| H47 | C39 | C41 | H51 | 27.4° | 55.0° |
| H47 | C39 | C41 | H52 | 91.8° | 65.2° |
| H48 | C39 | C41 | H51 | 143.7° | 171.0° |
| H48 | C39 | C41 | H52 | 24.6° | 50.9° |
| H53 | C42 | C43 | H55 | 122.2° | 175.0° |
| H54 | C42 | C43 | H55 | 124.5° | 65.0° |
| H55 | C43 | C44 | H56 | 61.9° | 180.0° |
| H55 | C43 | C44 | H57 | 178.0° | 60.0° |
| H55 | C43 | C44 | H58 | 58.0° | 60.0° |
| H55 | C43 | C45 | H59 | 61.9° | 180.0° |
| H55 | C43 | C45 | H60 | 58.1° | 60.0° |
| H55 | C43 | C45 | H61 | 178.0° | 60.0° |
| H56 | C44 | H57 | H58 | 120.0° | 120.0° |
| H59 | C45 | H60 | H61 | 120.0° | 119.9° |
| H62 | C47 | C48 | H63 | 0.2° | 0.0° |
| H62 | C47 | C52 | H66 | 0.0° | 0.1° |
| H63 | C48 | C49 | H64 | 0.0° | 0.0° |
| H64 | C49 | C50 | H65 | 0.3° | 0.1° |
