PRD_002486
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C39 | sing | 1.53Å | 1.55Å | |
| O3 | C30 | doub | 1.21Å | 1.20Å | |
| C41 | C39 | sing | 1.53Å | 1.55Å | |
| C39 | C38 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C21 | N1 | sing | 1.47Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C30 | N1 | sing | 1.35Å | 1.31Å | |
| C30 | C31 | sing | 1.51Å | 1.50Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| C35 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| N2 | C31 | sing | 1.47Å | 1.45Å | |
| N2 | C36 | sing | 1.35Å | 1.34Å | |
| O2 | C18 | doub | 1.21Å | 1.17Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C37 | C36 | sing | 1.51Å | 1.50Å | |
| C37 | N3 | sing | 1.46Å | 1.47Å | |
| C36 | O4 | doub | 1.21Å | 1.23Å | |
| C18 | N | sing | 1.35Å | 1.36Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | C42 | sing | 1.35Å | 1.35Å | |
| C47 | N4 | sing | 1.47Å | 1.49Å | |
| O5 | C42 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| N | C4 | sing | 1.47Å | 1.47Å | |
| N | C3 | sing | 1.35Å | 1.34Å | |
| C4 | C1 | sing | 1.51Å | 1.47Å | |
| C42 | C43 | sing | 1.51Å | 1.54Å | |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| N4 | C43 | sing | 1.47Å | 1.51Å | |
| N4 | C48 | sing | 1.47Å | 1.48Å | |
| C6 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | O1 | doub | 1.22Å | 1.29Å | |
| C3 | C2 | sing | 1.41Å | 1.39Å | |
| C43 | C44 | sing | 1.53Å | 1.57Å | |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | O | sing | 1.35Å | 1.39Å | |
| C1 | C2 | doub | 1.35Å | 1.42Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| O | C | sing | 1.45Å | 1.43Å | |
| C46 | C44 | sing | 1.53Å | 1.54Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C12 | sing | 1.48Å | 1.52Å | |
| C13 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C43 | H11 | sing | 1.09Å | 1.10Å | |
| C48 | H13 | sing | 1.09Å | 1.10Å | |
| C48 | H14 | sing | 1.09Å | 1.10Å | |
| C48 | H15 | sing | 1.09Å | 1.10Å | |
| C47 | H16 | sing | 1.09Å | 1.10Å | |
| C47 | H17 | sing | 1.09Å | 1.10Å | |
| C47 | H18 | sing | 1.09Å | 1.10Å | |
| C44 | H19 | sing | 1.09Å | 1.10Å | |
| C46 | H20 | sing | 1.09Å | 1.10Å | |
| C46 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| C45 | H23 | sing | 1.09Å | 1.10Å | |
| C45 | H24 | sing | 1.09Å | 1.10Å | |
| C45 | H25 | sing | 1.09Å | 1.10Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| N2 | H37 | sing | 0.97Å | 1.00Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | H46 | sing | 1.09Å | 1.10Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| N1 | H48 | sing | 0.97Å | 1.00Å | |
| C21 | H49 | sing | 1.09Å | 1.10Å | |
| C22 | H50 | sing | 1.09Å | 1.10Å | |
| C22 | H51 | sing | 1.09Å | 1.10Å | |
| C23 | H52 | sing | 1.09Å | 1.10Å | |
| C23 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.08Å | 1.08Å | |
| C28 | H55 | sing | 1.08Å | 1.08Å | |
| C27 | H56 | sing | 1.08Å | 1.08Å | |
| C26 | H57 | sing | 1.08Å | 1.08Å | |
| C25 | H58 | sing | 1.08Å | 1.08Å | |
| C20 | H59 | sing | 1.09Å | 1.10Å | |
| C20 | H60 | sing | 1.09Å | 1.10Å | |
| C | H61 | sing | 1.09Å | 1.10Å | |
| C | H62 | sing | 1.09Å | 1.10Å | |
| C | H63 | sing | 1.09Å | 1.10Å | |
| C5 | H64 | sing | 1.09Å | 1.10Å | |
| C5 | H65 | sing | 1.09Å | 1.10Å | |
| C8 | H66 | sing | 1.08Å | 1.08Å | |
| C17 | H67 | sing | 1.08Å | 1.08Å | |
| C16 | H68 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C39 | C41 | 118.5° | 109.5° |
| C40 | C39 | C38 | 109.0° | 109.5° |
| C40 | C39 | H30 | 106.8° | 109.4° |
| C39 | C40 | H34 | 109.5° | 109.5° |
| C39 | C40 | H35 | 109.5° | 109.5° |
| C39 | C40 | H36 | 109.4° | 109.5° |
| O3 | C30 | N1 | 122.6° | 120.0° |
| O3 | C30 | C31 | 121.0° | 120.0° |
| C41 | C39 | C38 | 108.0° | 109.5° |
| C41 | C39 | H30 | 106.8° | 109.5° |
| C39 | C41 | H31 | 109.5° | 109.5° |
| C39 | C41 | H32 | 109.5° | 109.5° |
| C39 | C41 | H33 | 109.5° | 109.5° |
| C39 | C38 | C37 | 113.8° | 109.4° |
| C39 | C38 | H28 | 108.4° | 109.5° |
| C39 | C38 | H29 | 108.4° | 109.5° |
| C38 | C39 | H30 | 107.3° | 109.5° |
| C21 | C20 | C19 | 111.1° | 109.5° |
| C20 | C21 | N1 | 108.3° | 109.4° |
| C20 | C21 | C22 | 114.1° | 109.4° |
| C20 | C21 | H49 | 108.7° | 109.5° |
| C21 | C20 | H59 | 109.1° | 109.5° |
| C21 | C20 | H60 | 109.1° | 109.5° |
| C20 | C19 | C18 | 116.1° | 109.5° |
| C20 | C19 | H9 | 107.8° | 109.5° |
| C20 | C19 | H10 | 107.8° | 109.5° |
| C19 | C20 | H59 | 109.1° | 109.4° |
| C19 | C20 | H60 | 109.1° | 109.5° |
| N1 | C21 | C22 | 107.3° | 109.5° |
| C21 | N1 | C30 | 124.6° | 119.9° |
| C21 | N1 | H48 | 117.7° | 120.0° |
| N1 | C21 | H49 | 109.8° | 109.5° |
| C21 | C22 | C23 | 109.5° | 109.4° |
| C22 | C21 | H49 | 108.5° | 109.5° |
| C21 | C22 | H50 | 109.5° | 109.5° |
| C21 | C22 | H51 | 109.5° | 109.5° |
| N1 | C30 | C31 | 116.4° | 120.0° |
| C30 | N1 | H48 | 117.7° | 120.0° |
| C30 | C31 | C32 | 107.1° | 109.5° |
| C30 | C31 | N2 | 112.8° | 109.5° |
| C30 | C31 | H38 | 107.2° | 109.5° |
| C38 | C37 | C36 | 104.7° | 109.5° |
| C38 | C37 | N3 | 112.9° | 109.5° |
| C38 | C37 | H27 | 109.5° | 109.5° |
| C37 | C38 | H28 | 108.4° | 109.5° |
| C37 | C38 | H29 | 108.4° | 109.5° |
| C35 | C33 | C32 | 109.7° | 109.5° |
| C35 | C33 | C34 | 113.3° | 109.4° |
| C35 | C33 | H41 | 107.6° | 109.5° |
| C33 | C35 | H42 | 109.5° | 109.5° |
| C33 | C35 | H43 | 109.5° | 109.5° |
| C33 | C35 | H44 | 109.5° | 109.5° |
| C31 | C32 | C33 | 115.7° | 109.5° |
| C32 | C31 | N2 | 114.8° | 109.4° |
| C32 | C31 | H38 | 106.8° | 109.5° |
| C31 | C32 | H39 | 107.9° | 109.5° |
| C31 | C32 | H40 | 107.9° | 109.4° |
| C32 | C33 | C34 | 110.5° | 109.5° |
| C33 | C32 | H39 | 107.9° | 109.5° |
| C33 | C32 | H40 | 107.9° | 109.5° |
| C32 | C33 | H41 | 107.6° | 109.5° |
| C28 | C29 | C24 | 121.1° | 120.0° |
| C29 | C28 | C27 | 119.6° | 120.0° |
| C28 | C29 | H54 | 119.4° | 120.0° |
| C29 | C28 | H55 | 120.2° | 120.0° |
| C29 | C24 | C23 | 120.2° | 120.0° |
| C29 | C24 | C25 | 119.6° | 120.0° |
| C24 | C29 | H54 | 119.5° | 120.1° |
| C22 | C23 | C24 | 109.4° | 109.5° |
| C23 | C22 | H50 | 109.5° | 109.5° |
| C23 | C22 | H51 | 109.4° | 109.5° |
| C22 | C23 | H52 | 109.5° | 109.5° |
| C22 | C23 | H53 | 109.5° | 109.4° |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C24 | C23 | H52 | 109.5° | 109.5° |
| C24 | C23 | H53 | 109.5° | 109.4° |
| C31 | N2 | C36 | 120.3° | 120.0° |
| C31 | N2 | H37 | 119.8° | 120.0° |
| N2 | C31 | H38 | 107.8° | 109.5° |
| N2 | C36 | C37 | 119.7° | 120.0° |
| N2 | C36 | O4 | 121.7° | 120.1° |
| C36 | N2 | H37 | 119.9° | 120.1° |
| O2 | C18 | C19 | 116.2° | 120.0° |
| O2 | C18 | N | 117.1° | 120.0° |
| C34 | C33 | H41 | 107.9° | 109.5° |
| C33 | C34 | H45 | 109.5° | 109.5° |
| C33 | C34 | H46 | 109.5° | 109.4° |
| C33 | C34 | H47 | 109.5° | 109.5° |
| C28 | C27 | C26 | 119.0° | 120.0° |
| C27 | C28 | H55 | 120.2° | 120.0° |
| C28 | C27 | H56 | 120.5° | 120.0° |
| C24 | C25 | C26 | 118.9° | 120.0° |
| C24 | C25 | H58 | 120.5° | 120.0° |
| C19 | C18 | N | 125.2° | 120.0° |
| C18 | C19 | H9 | 107.8° | 109.5° |
| C18 | C19 | H10 | 107.8° | 109.4° |
| C36 | C37 | N3 | 110.1° | 109.5° |
| C37 | C36 | O4 | 118.6° | 119.9° |
| C36 | C37 | H27 | 109.5° | 109.5° |
| C37 | N3 | C42 | 125.4° | 120.0° |
| C37 | N3 | H26 | 117.3° | 120.0° |
| N3 | C37 | H27 | 110.0° | 109.5° |
| C18 | N | C4 | 119.0° | 126.4° |
| C18 | N | C3 | 125.2° | 126.4° |
| C27 | C26 | C25 | 121.8° | 120.0° |
| C26 | C27 | H56 | 120.5° | 120.0° |
| C27 | C26 | H57 | 119.1° | 120.0° |
| C25 | C26 | H57 | 119.1° | 120.1° |
| C26 | C25 | H58 | 120.5° | 120.0° |
| N3 | C42 | O5 | 119.9° | 120.0° |
| N3 | C42 | C43 | 120.5° | 120.0° |
| C42 | N3 | H26 | 117.3° | 120.0° |
| C47 | N4 | C43 | 114.1° | 111.0° |
| C47 | N4 | C48 | 106.9° | 111.0° |
| N4 | C47 | H16 | 109.5° | 109.5° |
| N4 | C47 | H17 | 109.5° | 109.5° |
| N4 | C47 | H18 | 109.5° | 109.5° |
| O5 | C42 | C43 | 119.6° | 120.0° |
| C4 | C5 | C6 | 115.3° | 109.5° |
| C5 | C4 | N | 112.6° | 110.6° |
| C5 | C4 | C1 | 108.7° | 110.4° |
| C5 | C4 | H2 | 112.1° | 110.3° |
| C4 | C5 | H64 | 108.0° | 109.4° |
| C4 | C5 | H65 | 108.0° | 109.5° |
| C5 | C6 | C7 | 123.7° | 119.8° |
| C5 | C6 | C11 | 119.1° | 119.9° |
| C6 | C5 | H64 | 108.0° | 109.5° |
| C6 | C5 | H65 | 108.0° | 109.5° |
| C4 | N | C3 | 115.3° | 107.2° |
| N | C4 | C1 | 96.3° | 104.9° |
| N | C4 | H2 | 113.0° | 110.2° |
| N | C3 | O1 | 127.0° | 124.4° |
| N | C3 | C2 | 109.4° | 111.1° |
| C4 | C1 | O | 118.9° | 126.8° |
| C4 | C1 | C2 | 114.6° | 106.3° |
| C1 | C4 | H2 | 113.1° | 110.4° |
| C42 | C43 | N4 | 111.0° | 109.4° |
| C42 | C43 | C44 | 108.2° | 109.5° |
| C42 | C43 | H11 | 107.1° | 109.5° |
| C6 | C7 | C8 | 121.0° | 120.1° |
| C7 | C6 | C11 | 117.2° | 120.3° |
| C6 | C7 | H3 | 119.5° | 120.0° |
| C7 | C8 | C9 | 121.5° | 119.8° |
| C8 | C7 | H3 | 119.5° | 119.9° |
| C7 | C8 | H66 | 119.2° | 120.1° |
| C43 | N4 | C48 | 114.5° | 111.0° |
| N4 | C43 | C44 | 116.1° | 109.5° |
| N4 | C43 | H11 | 107.4° | 109.4° |
| N4 | C48 | H13 | 109.5° | 109.5° |
| N4 | C48 | H14 | 109.5° | 109.5° |
| N4 | C48 | H15 | 109.4° | 109.5° |
| C6 | C11 | C10 | 122.6° | 120.2° |
| C6 | C11 | H5 | 118.7° | 119.9° |
| O1 | C3 | C2 | 123.6° | 124.5° |
| C3 | C2 | C1 | 104.3° | 110.5° |
| C3 | C2 | H1 | 127.9° | 124.7° |
| C43 | C44 | C46 | 115.1° | 109.5° |
| C43 | C44 | C45 | 114.7° | 109.5° |
| C44 | C43 | H11 | 106.7° | 109.5° |
| C43 | C44 | H19 | 104.9° | 109.5° |
| C8 | C9 | C10 | 116.4° | 119.8° |
| C8 | C9 | C12 | 123.0° | 120.1° |
| C9 | C8 | H66 | 119.2° | 120.1° |
| O | C1 | C2 | 126.2° | 126.8° |
| C1 | O | C | 122.0° | 117.0° |
| C1 | C2 | H1 | 127.9° | 124.8° |
| C11 | C10 | C9 | 121.3° | 119.8° |
| C11 | C10 | H4 | 119.3° | 120.1° |
| C10 | C11 | H5 | 118.7° | 119.9° |
| O | C | H61 | 109.5° | 109.5° |
| O | C | H62 | 109.5° | 109.4° |
| O | C | H63 | 109.4° | 109.5° |
| C46 | C44 | C45 | 110.5° | 109.5° |
| C46 | C44 | H19 | 105.2° | 109.4° |
| C44 | C46 | H20 | 109.5° | 109.4° |
| C44 | C46 | H21 | 109.5° | 109.5° |
| C44 | C46 | H22 | 109.5° | 109.5° |
| C45 | C44 | H19 | 105.2° | 109.4° |
| C44 | C45 | H23 | 109.5° | 109.4° |
| C44 | C45 | H24 | 109.4° | 109.5° |
| C44 | C45 | H25 | 109.5° | 109.5° |
| C10 | C9 | C12 | 120.6° | 120.1° |
| C9 | C10 | H4 | 119.3° | 120.1° |
| C9 | C12 | C13 | 122.0° | 120.1° |
| C9 | C12 | C17 | 121.9° | 120.1° |
| C12 | C13 | C14 | 122.2° | 119.8° |
| C13 | C12 | C17 | 116.1° | 119.8° |
| C12 | C13 | H6 | 118.9° | 120.0° |
| C13 | C14 | C15 | 120.1° | 120.2° |
| C14 | C13 | H6 | 118.9° | 120.1° |
| C13 | C14 | H7 | 120.0° | 119.9° |
| C12 | C17 | C16 | 121.9° | 119.8° |
| C12 | C17 | H67 | 119.1° | 120.1° |
| C14 | C15 | C16 | 118.9° | 120.2° |
| C15 | C14 | H7 | 120.0° | 119.9° |
| C14 | C15 | H8 | 120.5° | 119.9° |
| C17 | C16 | C15 | 120.9° | 120.1° |
| C16 | C17 | H67 | 119.1° | 120.0° |
| C17 | C16 | H68 | 119.5° | 120.0° |
| C16 | C15 | H8 | 120.5° | 119.9° |
| C15 | C16 | H68 | 119.6° | 119.9° |
| H9 | C19 | H10 | 109.5° | 109.4° |
| H13 | C48 | H14 | 109.5° | 109.4° |
| H13 | C48 | H15 | 109.5° | 109.5° |
| H14 | C48 | H15 | 109.5° | 109.5° |
| H16 | C47 | H17 | 109.4° | 109.4° |
| H16 | C47 | H18 | 109.5° | 109.5° |
| H17 | C47 | H18 | 109.4° | 109.4° |
| H20 | C46 | H21 | 109.5° | 109.5° |
| H20 | C46 | H22 | 109.4° | 109.5° |
| H21 | C46 | H22 | 109.5° | 109.5° |
| H23 | C45 | H24 | 109.5° | 109.5° |
| H23 | C45 | H25 | 109.5° | 109.4° |
| H24 | C45 | H25 | 109.5° | 109.5° |
| H28 | C38 | H29 | 109.5° | 109.5° |
| H31 | C41 | H32 | 109.4° | 109.5° |
| H31 | C41 | H33 | 109.5° | 109.4° |
| H32 | C41 | H33 | 109.5° | 109.5° |
| H34 | C40 | H35 | 109.5° | 109.5° |
| H34 | C40 | H36 | 109.4° | 109.4° |
| H35 | C40 | H36 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.4° | 109.4° |
| H42 | C35 | H43 | 109.4° | 109.4° |
| H42 | C35 | H44 | 109.5° | 109.5° |
| H43 | C35 | H44 | 109.4° | 109.5° |
| H45 | C34 | H46 | 109.5° | 109.5° |
| H45 | C34 | H47 | 109.4° | 109.5° |
| H46 | C34 | H47 | 109.5° | 109.4° |
| H50 | C22 | H51 | 109.4° | 109.5° |
| H52 | C23 | H53 | 109.5° | 109.5° |
| H59 | C20 | H60 | 109.5° | 109.5° |
| H61 | C | H62 | 109.4° | 109.4° |
| H61 | C | H63 | 109.5° | 109.5° |
| H62 | C | H63 | 109.5° | 109.5° |
| H64 | C5 | H65 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C39 | C41 | C38 | 124.4° | 120.0° |
| C40 | C39 | C41 | H30 | 120.5° | 120.0° |
| C40 | C39 | C38 | H30 | 115.3° | 119.9° |
| C40 | C39 | C38 | C37 | 107.5° | 174.9° |
| C40 | C39 | C38 | H28 | 13.1° | 65.1° |
| C40 | C39 | C38 | H29 | 131.8° | 54.9° |
| C40 | C39 | C41 | H31 | 180.0° | 54.6° |
| C40 | C39 | C41 | H32 | 60.0° | 174.7° |
| C40 | C39 | C41 | H33 | 60.0° | 65.3° |
| C39 | C40 | H34 | H35 | 120.0° | 120.0° |
| C39 | C40 | H34 | H36 | 120.0° | 120.0° |
| C39 | C40 | H35 | H36 | 120.0° | 120.0° |
| O3 | C30 | N1 | C21 | 2.4° | 0.0° |
| O3 | C30 | N1 | C31 | 178.2° | 179.9° |
| O3 | C30 | C31 | C32 | 79.2° | 120.0° |
| O3 | C30 | C31 | N2 | 48.0° | 0.1° |
| O3 | C30 | C31 | H38 | 166.4° | 119.9° |
| O3 | C30 | N1 | H48 | 177.6° | 179.9° |
| C41 | C39 | C38 | H30 | 114.8° | 120.0° |
| C41 | C39 | C38 | C37 | 122.5° | 65.1° |
| C41 | C39 | C38 | H28 | 116.9° | 54.9° |
| C41 | C39 | C38 | H29 | 1.9° | 175.0° |
| C39 | C41 | H31 | H32 | 120.0° | 120.1° |
| C39 | C41 | H31 | H33 | 120.0° | 119.9° |
| C39 | C41 | H32 | H33 | 120.0° | 120.0° |
| C41 | C39 | C40 | H34 | 180.0° | 180.0° |
| C41 | C39 | C40 | H35 | 60.0° | 60.0° |
| C41 | C39 | C40 | H36 | 60.0° | 60.1° |
| C39 | C38 | C37 | H28 | 120.6° | 120.0° |
| C39 | C38 | C37 | H29 | 120.6° | 120.0° |
| C39 | C38 | C37 | C36 | 175.3° | 64.4° |
| C39 | C38 | C37 | N3 | 55.5° | 175.5° |
| C39 | C38 | C37 | H27 | 67.3° | 55.5° |
| C39 | C38 | H28 | H29 | 118.1° | 120.0° |
| C38 | C39 | C41 | H31 | 55.6° | 174.6° |
| C38 | C39 | C41 | H32 | 64.4° | 65.3° |
| C38 | C39 | C41 | H33 | 175.6° | 54.7° |
| C38 | C39 | C40 | H34 | 56.0° | 60.0° |
| C38 | C39 | C40 | H35 | 176.1° | 180.0° |
| C38 | C39 | C40 | H36 | 63.9° | 60.0° |
| C21 | C20 | C19 | H59 | 120.3° | 120.0° |
| C21 | C20 | C19 | H60 | 120.2° | 120.0° |
| C20 | C21 | N1 | C22 | 123.6° | 120.0° |
| C20 | C21 | N1 | H49 | 118.6° | 120.0° |
| C20 | C21 | C22 | H49 | 121.4° | 120.0° |
| C20 | C21 | N1 | C30 | 118.7° | 155.0° |
| C20 | C21 | C22 | C23 | 170.2° | 175.0° |
| C21 | C20 | C19 | C18 | 114.7° | 180.0° |
| C21 | C20 | C19 | H9 | 6.3° | 59.9° |
| C21 | C20 | C19 | H10 | 124.4° | 60.0° |
| C20 | C21 | N1 | H48 | 61.3° | 25.0° |
| C20 | C21 | C22 | H50 | 69.7° | 65.0° |
| C20 | C21 | C22 | H51 | 50.2° | 55.0° |
| C21 | C20 | H59 | H60 | 119.3° | 120.0° |
| C19 | C20 | C21 | N1 | 69.0° | 65.0° |
| C19 | C20 | C21 | C22 | 50.4° | 175.0° |
| C20 | C19 | C18 | O2 | 20.3° | 0.0° |
| C20 | C19 | C18 | H9 | 121.0° | 120.1° |
| C20 | C19 | C18 | H10 | 121.0° | 120.0° |
| C20 | C19 | C18 | N | 174.3° | 180.0° |
| C20 | C19 | H9 | H10 | 117.0° | 120.0° |
| C19 | C20 | C21 | H49 | 171.7° | 55.0° |
| C19 | C20 | H59 | H60 | 119.3° | 120.0° |
| N1 | C21 | C22 | H49 | 118.6° | 120.0° |
| C21 | N1 | C30 | H48 | 180.0° | 179.9° |
| C21 | N1 | C30 | C31 | 179.3° | 180.0° |
| N1 | C21 | C22 | C23 | 69.8° | 65.0° |
| N1 | C21 | C22 | H50 | 50.3° | 55.0° |
| N1 | C21 | C22 | H51 | 170.2° | 175.0° |
| N1 | C21 | C20 | H59 | 51.3° | 55.0° |
| N1 | C21 | C20 | H60 | 170.8° | 175.0° |
| C22 | C21 | N1 | C30 | 117.7° | 85.0° |
| C21 | C22 | C23 | H50 | 120.0° | 120.0° |
| C21 | C22 | C23 | H51 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 173.2° | 180.0° |
| C22 | C21 | N1 | H48 | 62.3° | 94.9° |
| C21 | C22 | H50 | H51 | 120.0° | 120.0° |
| C21 | C22 | C23 | H52 | 53.2° | 60.0° |
| C21 | C22 | C23 | H53 | 66.8° | 60.0° |
| C22 | C21 | C20 | H59 | 170.7° | 65.0° |
| C22 | C21 | C20 | H60 | 69.8° | 55.0° |
| N1 | C30 | C31 | C32 | 99.1° | 60.0° |
| N1 | C30 | C31 | N2 | 133.8° | 180.0° |
| N1 | C30 | C31 | H38 | 15.3° | 60.0° |
| C30 | N1 | C21 | H49 | 0.1° | 35.0° |
| C30 | C31 | C32 | N2 | 126.0° | 120.0° |
| C30 | C31 | C32 | H38 | 114.6° | 120.1° |
| C30 | C31 | C32 | C33 | 163.3° | 175.0° |
| C30 | C31 | N2 | H38 | 118.1° | 120.0° |
| C30 | C31 | N2 | C36 | 93.7° | 155.0° |
| C30 | C31 | N2 | H37 | 86.3° | 25.0° |
| C30 | C31 | C32 | H39 | 42.4° | 64.9° |
| C30 | C31 | C32 | H40 | 75.8° | 55.0° |
| C31 | C30 | N1 | H48 | 0.7° | 0.0° |
| C38 | C37 | C36 | N2 | 56.0° | 71.0° |
| C38 | C37 | C36 | N3 | 121.6° | 120.0° |
| C38 | C37 | C36 | H27 | 117.3° | 120.0° |
| C38 | C37 | N3 | H27 | 122.6° | 120.0° |
| C38 | C37 | C36 | O4 | 122.4° | 109.0° |
| C38 | C37 | N3 | C42 | 98.1° | 89.1° |
| C38 | C37 | N3 | H26 | 81.9° | 90.8° |
| C37 | C38 | H28 | H29 | 118.0° | 120.0° |
| C37 | C38 | C39 | H30 | 7.8° | 55.0° |
| C35 | C33 | C32 | C31 | 172.4° | 175.0° |
| C35 | C33 | C32 | C34 | 125.6° | 120.0° |
| C35 | C33 | C32 | H41 | 116.8° | 120.0° |
| C35 | C33 | C34 | H41 | 119.0° | 120.0° |
| C35 | C33 | C32 | H39 | 51.5° | 55.0° |
| C35 | C33 | C32 | H40 | 66.7° | 65.0° |
| C33 | C35 | H42 | H43 | 120.0° | 120.0° |
| C33 | C35 | H42 | H44 | 120.0° | 120.0° |
| C33 | C35 | H43 | H44 | 120.0° | 120.0° |
| C35 | C33 | C34 | H45 | 180.0° | 60.0° |
| C35 | C33 | C34 | H46 | 60.0° | 180.0° |
| C35 | C33 | C34 | H47 | 60.0° | 60.1° |
| C31 | C32 | C33 | H39 | 120.9° | 120.0° |
| C31 | C32 | C33 | H40 | 120.9° | 120.0° |
| C32 | C31 | N2 | H38 | 118.9° | 120.0° |
| C32 | C31 | N2 | C36 | 143.3° | 85.0° |
| C31 | C32 | C33 | C34 | 62.0° | 65.0° |
| C32 | C31 | N2 | H37 | 36.7° | 95.0° |
| C31 | C32 | H39 | H40 | 117.2° | 119.9° |
| C31 | C32 | C33 | H41 | 55.6° | 55.0° |
| C33 | C32 | C31 | N2 | 37.3° | 65.0° |
| C32 | C33 | C34 | H41 | 117.5° | 120.0° |
| C33 | C32 | C31 | H38 | 82.1° | 55.0° |
| C33 | C32 | H39 | H40 | 117.1° | 120.0° |
| C32 | C33 | C35 | H42 | 180.0° | 60.0° |
| C32 | C33 | C35 | H43 | 60.0° | 180.0° |
| C32 | C33 | C35 | H44 | 60.0° | 60.0° |
| C32 | C33 | C34 | H45 | 56.5° | 60.0° |
| C32 | C33 | C34 | H46 | 176.5° | 60.0° |
| C32 | C33 | C34 | H47 | 63.5° | 180.0° |
| C28 | C29 | C24 | H54 | 180.0° | 180.0° |
| C28 | C29 | C24 | C23 | 179.8° | 180.0° |
| C29 | C28 | C27 | H55 | 180.0° | 179.9° |
| C28 | C29 | C24 | C25 | 0.7° | 0.3° |
| C29 | C28 | C27 | C26 | 0.6° | 0.0° |
| C29 | C28 | C27 | H56 | 179.4° | 179.9° |
| C29 | C24 | C23 | C22 | 80.1° | 89.7° |
| C29 | C24 | C23 | C25 | 179.5° | 179.7° |
| C24 | C29 | C28 | C27 | 0.8° | 0.0° |
| C29 | C24 | C25 | C26 | 0.3° | 0.5° |
| C29 | C24 | C23 | H52 | 39.8° | 150.3° |
| C29 | C24 | C23 | H53 | 159.9° | 30.2° |
| C24 | C29 | C28 | H55 | 179.2° | 179.9° |
| C29 | C24 | C25 | H58 | 179.7° | 179.7° |
| C22 | C23 | C24 | H52 | 120.0° | 120.0° |
| C22 | C23 | C24 | H53 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 99.4° | 90.0° |
| C23 | C22 | C21 | H49 | 48.9° | 55.0° |
| C23 | C22 | H50 | H51 | 119.9° | 120.0° |
| C22 | C23 | H52 | H53 | 120.1° | 120.0° |
| C23 | C24 | C25 | C26 | 179.8° | 179.8° |
| C24 | C23 | C22 | H50 | 66.8° | 60.0° |
| C24 | C23 | C22 | H51 | 53.2° | 60.0° |
| C24 | C23 | H52 | H53 | 120.0° | 120.0° |
| C23 | C24 | C29 | H54 | 0.2° | 0.1° |
| C23 | C24 | C25 | H58 | 0.2° | 0.0° |
| C31 | N2 | C36 | H37 | 180.0° | 180.0° |
| C31 | N2 | C36 | C37 | 179.3° | 178.3° |
| C31 | N2 | C36 | O4 | 2.4° | 1.7° |
| N2 | C31 | C32 | H39 | 83.6° | 55.1° |
| N2 | C31 | C32 | H40 | 158.2° | 175.0° |
| N2 | C36 | C37 | O4 | 178.4° | 179.9° |
| N2 | C36 | C37 | N3 | 177.6° | 169.0° |
| N2 | C36 | C37 | H27 | 61.3° | 49.0° |
| C36 | N2 | C31 | H38 | 24.4° | 35.0° |
| O2 | C18 | C19 | N | 165.4° | 180.0° |
| O2 | C18 | N | C4 | 4.0° | 4.9° |
| O2 | C18 | N | C3 | 167.1° | 174.6° |
| O2 | C18 | C19 | H9 | 141.3° | 120.0° |
| O2 | C18 | C19 | H10 | 100.6° | 120.0° |
| C34 | C33 | C32 | H39 | 177.1° | 175.0° |
| C34 | C33 | C32 | H40 | 58.9° | 55.0° |
| C34 | C33 | C35 | H42 | 56.0° | 59.9° |
| C34 | C33 | C35 | H43 | 176.0° | 60.0° |
| C34 | C33 | C35 | H44 | 64.0° | 180.0° |
| C33 | C34 | H45 | H46 | 120.0° | 120.0° |
| C33 | C34 | H45 | H47 | 120.0° | 120.1° |
| C33 | C34 | H46 | H47 | 120.0° | 120.0° |
| C28 | C27 | C26 | H56 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.3° | 0.2° |
| C27 | C28 | C29 | H54 | 179.2° | 180.0° |
| C28 | C27 | C26 | H57 | 179.7° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.4° |
| C24 | C25 | C26 | H58 | 180.0° | 179.9° |
| C25 | C24 | C23 | H52 | 140.7° | 30.0° |
| C25 | C24 | C23 | H53 | 20.6° | 150.0° |
| C25 | C24 | C29 | H54 | 179.3° | 179.8° |
| C24 | C25 | C26 | H57 | 179.9° | 179.7° |
| C19 | C18 | N | C4 | 169.2° | 175.1° |
| C19 | C18 | N | C3 | 1.8° | 5.5° |
| C18 | C19 | H9 | H10 | 117.0° | 120.0° |
| C18 | C19 | C20 | H59 | 125.1° | 60.0° |
| C18 | C19 | C20 | H60 | 5.6° | 60.0° |
| C36 | C37 | N3 | H27 | 120.8° | 120.0° |
| C36 | C37 | N3 | C42 | 145.4° | 150.9° |
| C36 | C37 | N3 | H26 | 34.7° | 29.2° |
| C36 | C37 | C38 | H28 | 64.1° | 175.6° |
| C36 | C37 | C38 | H29 | 54.7° | 55.5° |
| C37 | C36 | N2 | H37 | 0.7° | 1.7° |
| N3 | C37 | C36 | O4 | 0.8° | 11.0° |
| C37 | N3 | C42 | H26 | 180.0° | 179.9° |
| C37 | N3 | C42 | O5 | 1.2° | 4.9° |
| C37 | N3 | C42 | C43 | 179.9° | 175.2° |
| N3 | C37 | C38 | H28 | 176.2° | 55.5° |
| N3 | C37 | C38 | H29 | 65.1° | 64.5° |
| O4 | C36 | C37 | H27 | 120.3° | 131.0° |
| O4 | C36 | N2 | H37 | 177.6° | 178.3° |
| C18 | N | C4 | C5 | 73.9° | 61.0° |
| C18 | N | C4 | C3 | 171.9° | 179.6° |
| C18 | N | C4 | C1 | 172.7° | 180.0° |
| C18 | N | C3 | O1 | 8.1° | 0.1° |
| C18 | N | C3 | C2 | 173.5° | 179.8° |
| C18 | N | C4 | H2 | 54.3° | 61.2° |
| N | C18 | C19 | H9 | 53.3° | 59.9° |
| N | C18 | C19 | H10 | 64.7° | 60.0° |
| C27 | C26 | C25 | H57 | 180.0° | 179.8° |
| C26 | C27 | C28 | H55 | 179.4° | 180.0° |
| C27 | C26 | C25 | H58 | 179.9° | 179.7° |
| C25 | C26 | C27 | H56 | 179.7° | 179.8° |
| N3 | C42 | O5 | C43 | 178.9° | 179.9° |
| N3 | C42 | C43 | N4 | 93.7° | 165.7° |
| N3 | C42 | C43 | C44 | 137.9° | 74.3° |
| N3 | C42 | C43 | H11 | 23.2° | 45.7° |
| C42 | N3 | C37 | H27 | 24.5° | 30.8° |
| C47 | N4 | C43 | C42 | 64.1° | 150.5° |
| C47 | N4 | C43 | C48 | 123.6° | 123.9° |
| C47 | N4 | C43 | C44 | 171.8° | 89.4° |
| C47 | N4 | C43 | H11 | 52.6° | 30.6° |
| C47 | N4 | C48 | H13 | 180.0° | 57.3° |
| C47 | N4 | C48 | H14 | 60.0° | 62.6° |
| C47 | N4 | C48 | H15 | 60.0° | 177.4° |
| N4 | C47 | H16 | H17 | 120.0° | 120.0° |
| N4 | C47 | H16 | H18 | 120.0° | 120.0° |
| N4 | C47 | H17 | H18 | 120.0° | 120.0° |
| O5 | C42 | C43 | N4 | 85.2° | 14.4° |
| O5 | C42 | C43 | C44 | 43.2° | 105.6° |
| O5 | C42 | C43 | H11 | 157.9° | 134.3° |
| O5 | C42 | N3 | H26 | 178.8° | 175.2° |
| C4 | C5 | C6 | H64 | 120.8° | 120.0° |
| C4 | C5 | C6 | H65 | 120.9° | 120.0° |
| C5 | C4 | N | C1 | 113.3° | 118.9° |
| C5 | C4 | N | H2 | 128.3° | 122.2° |
| C5 | C4 | N | C3 | 114.1° | 118.5° |
| C5 | C4 | C1 | H2 | 125.2° | 122.3° |
| C4 | C5 | C6 | C7 | 87.4° | 85.6° |
| C4 | C5 | C6 | C11 | 94.3° | 94.1° |
| C5 | C4 | C1 | O | 59.0° | 61.1° |
| C5 | C4 | C1 | C2 | 115.6° | 118.7° |
| C4 | C5 | H64 | H65 | 117.3° | 120.0° |
| C6 | C5 | C4 | N | 51.3° | 56.7° |
| C6 | C5 | C4 | C1 | 54.1° | 58.9° |
| C5 | C6 | C7 | C11 | 178.4° | 179.7° |
| C5 | C6 | C7 | C8 | 179.0° | 179.7° |
| C5 | C6 | C11 | C10 | 179.5° | 179.7° |
| C6 | C5 | C4 | H2 | 179.9° | 178.8° |
| C5 | C6 | C7 | H3 | 1.0° | 0.3° |
| C5 | C6 | C11 | H5 | 0.5° | 0.3° |
| C6 | C5 | H64 | H65 | 117.3° | 120.0° |
| N | C4 | C1 | H2 | 118.3° | 118.7° |
| C4 | N | C3 | O1 | 179.4° | 179.7° |
| C4 | N | C3 | C2 | 2.1° | 0.3° |
| N | C4 | C1 | O | 175.5° | 179.8° |
| N | C4 | C1 | C2 | 0.8° | 0.4° |
| N | C4 | C5 | H64 | 172.2° | 176.7° |
| N | C4 | C5 | H65 | 69.5° | 63.4° |
| C3 | N | C4 | C1 | 0.8° | 0.4° |
| N | C3 | O1 | C2 | 178.2° | 180.0° |
| N | C3 | C2 | C1 | 2.4° | 0.0° |
| N | C3 | C2 | H1 | 177.6° | 179.9° |
| C3 | N | C4 | H2 | 117.6° | 119.2° |
| C4 | C1 | C2 | C3 | 2.0° | 0.2° |
| C4 | C1 | O | C2 | 174.0° | 179.8° |
| C4 | C1 | O | C | 173.5° | 179.7° |
| C4 | C1 | C2 | H1 | 178.0° | 179.8° |
| C1 | C4 | C5 | H64 | 66.7° | 61.1° |
| C1 | C4 | C5 | H65 | 175.0° | 178.9° |
| C42 | C43 | N4 | C44 | 124.0° | 120.0° |
| C42 | C43 | N4 | H11 | 116.8° | 119.9° |
| C42 | C43 | N4 | C48 | 172.3° | 85.5° |
| C42 | C43 | C44 | H11 | 115.0° | 120.0° |
| C42 | C43 | C44 | C46 | 81.0° | 54.7° |
| C42 | C43 | C44 | C45 | 149.2° | 174.7° |
| C42 | C43 | C44 | H19 | 34.2° | 65.3° |
| C43 | C42 | N3 | H26 | 0.1° | 4.7° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C6 | C11 | C10 | 1.0° | 0.0° |
| C7 | C6 | C11 | H5 | 179.0° | 179.9° |
| C7 | C6 | C5 | H64 | 151.7° | 154.4° |
| C7 | C6 | C5 | H65 | 33.4° | 34.4° |
| C6 | C7 | C8 | H66 | 179.5° | 180.0° |
| C8 | C7 | C6 | C11 | 0.7° | 0.0° |
| C7 | C8 | C9 | H66 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.7° | 0.1° |
| C7 | C8 | C9 | C12 | 179.4° | 180.0° |
| N4 | C43 | C44 | H11 | 119.6° | 120.0° |
| N4 | C43 | C44 | C46 | 44.5° | 174.7° |
| N4 | C43 | C44 | C45 | 85.4° | 65.3° |
| C43 | N4 | C48 | H13 | 52.6° | 66.6° |
| C43 | N4 | C48 | H14 | 67.4° | 173.4° |
| C43 | N4 | C48 | H15 | 172.6° | 53.4° |
| C43 | N4 | C47 | H16 | 180.0° | 57.3° |
| C43 | N4 | C47 | H17 | 60.0° | 177.3° |
| C43 | N4 | C47 | H18 | 60.0° | 62.7° |
| N4 | C43 | C44 | H19 | 159.6° | 54.7° |
| C48 | N4 | C43 | C44 | 48.2° | 34.5° |
| C48 | N4 | C43 | H11 | 71.0° | 154.5° |
| N4 | C48 | H13 | H14 | 120.0° | 120.0° |
| N4 | C48 | H13 | H15 | 120.0° | 120.0° |
| N4 | C48 | H14 | H15 | 120.0° | 120.0° |
| C48 | N4 | C47 | H16 | 52.3° | 178.7° |
| C48 | N4 | C47 | H17 | 67.7° | 58.7° |
| C48 | N4 | C47 | H18 | 172.4° | 61.2° |
| C6 | C11 | C10 | H5 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 1.2° | 0.0° |
| C11 | C6 | C7 | H3 | 179.3° | 180.0° |
| C6 | C11 | C10 | H4 | 178.8° | 180.0° |
| C11 | C6 | C5 | H64 | 26.6° | 25.9° |
| C11 | C6 | C5 | H65 | 144.9° | 145.9° |
| O1 | C3 | C2 | C1 | 179.1° | 179.9° |
| O1 | C3 | C2 | H1 | 0.9° | 0.1° |
| C3 | C2 | C1 | O | 176.3° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C43 | C44 | C46 | C45 | 131.9° | 120.1° |
| C43 | C44 | C46 | H19 | 115.0° | 120.0° |
| C43 | C44 | C45 | H19 | 114.8° | 120.0° |
| C43 | C44 | C46 | H20 | 180.0° | 58.5° |
| C43 | C44 | C46 | H21 | 60.0° | 178.5° |
| C43 | C44 | C46 | H22 | 60.0° | 61.4° |
| C43 | C44 | C45 | H23 | 180.0° | 36.4° |
| C43 | C44 | C45 | H24 | 60.0° | 83.6° |
| C43 | C44 | C45 | H25 | 60.0° | 156.3° |
| C8 | C9 | C10 | C11 | 1.0° | 0.0° |
| C8 | C9 | C10 | C12 | 179.9° | 179.9° |
| C8 | C9 | C12 | C13 | 2.6° | 0.1° |
| C8 | C9 | C12 | C17 | 178.1° | 179.9° |
| C9 | C8 | C7 | H3 | 179.5° | 180.0° |
| C8 | C9 | C10 | H4 | 179.0° | 180.0° |
| O | C1 | C2 | H1 | 3.7° | 0.0° |
| O | C1 | C4 | H2 | 66.2° | 61.1° |
| C1 | O | C | H61 | 180.0° | 60.1° |
| C1 | O | C | H62 | 60.0° | 180.0° |
| C1 | O | C | H63 | 60.0° | 60.0° |
| C2 | C1 | O | C | 12.5° | 0.0° |
| C2 | C1 | C4 | H2 | 119.1° | 119.1° |
| C11 | C10 | C9 | H4 | 180.0° | 180.0° |
| C11 | C10 | C9 | C12 | 179.1° | 179.9° |
| O | C | H61 | H62 | 120.0° | 119.9° |
| O | C | H61 | H63 | 120.0° | 120.1° |
| O | C | H62 | H63 | 120.0° | 120.0° |
| C46 | C44 | C45 | H19 | 113.1° | 119.9° |
| C46 | C44 | C43 | H11 | 164.1° | 65.4° |
| C44 | C46 | H20 | H21 | 120.0° | 120.0° |
| C44 | C46 | H20 | H22 | 120.0° | 120.0° |
| C44 | C46 | H21 | H22 | 120.0° | 120.0° |
| C46 | C44 | C45 | H23 | 47.9° | 83.7° |
| C46 | C44 | C45 | H24 | 168.0° | 156.3° |
| C46 | C44 | C45 | H25 | 72.1° | 36.3° |
| C45 | C44 | C43 | H11 | 34.2° | 54.7° |
| C45 | C44 | C46 | H20 | 48.1° | 61.5° |
| C45 | C44 | C46 | H21 | 71.9° | 58.5° |
| C45 | C44 | C46 | H22 | 168.1° | 178.5° |
| C44 | C45 | H23 | H24 | 120.0° | 120.0° |
| C44 | C45 | H23 | H25 | 120.0° | 120.0° |
| C44 | C45 | H24 | H25 | 120.0° | 120.1° |
| C10 | C9 | C12 | C13 | 177.5° | 180.0° |
| C10 | C9 | C12 | C17 | 1.8° | 0.0° |
| C9 | C10 | C11 | H5 | 178.7° | 179.9° |
| C10 | C9 | C8 | H66 | 179.4° | 180.0° |
| C9 | C12 | C13 | C17 | 179.3° | 180.0° |
| C9 | C12 | C13 | C14 | 180.0° | 180.0° |
| C9 | C12 | C17 | C16 | 179.8° | 180.0° |
| C12 | C9 | C10 | H4 | 0.9° | 0.1° |
| C9 | C12 | C13 | H6 | 0.0° | 0.3° |
| C12 | C9 | C8 | H66 | 0.5° | 0.1° |
| C9 | C12 | C17 | H67 | 0.3° | 0.0° |
| C12 | C13 | C14 | H6 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C13 | C12 | C17 | C16 | 0.9° | 0.0° |
| C12 | C13 | C14 | H7 | 179.9° | 179.9° |
| C13 | C12 | C17 | H67 | 179.1° | 180.0° |
| C14 | C13 | C12 | C17 | 0.7° | 0.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.8° | 0.1° |
| C13 | C14 | C15 | H8 | 179.2° | 180.0° |
| C12 | C17 | C16 | H67 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 0.3° | 0.0° |
| C17 | C12 | C13 | H6 | 179.3° | 179.7° |
| C12 | C17 | C16 | H68 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.6° | 0.0° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | H6 | 179.9° | 179.7° |
| C14 | C15 | C16 | H68 | 179.4° | 180.0° |
| C17 | C16 | C15 | H68 | 180.0° | 180.0° |
| C17 | C16 | C15 | H8 | 179.3° | 180.0° |
| C16 | C15 | C14 | H7 | 179.2° | 179.9° |
| C15 | C16 | C17 | H67 | 179.7° | 180.0° |
| H2 | C4 | C5 | H64 | 59.1° | 61.2° |
| H2 | C4 | C5 | H65 | 59.2° | 58.8° |
| H3 | C7 | C8 | H66 | 0.5° | 0.0° |
| H4 | C10 | C11 | H5 | 1.2° | 0.1° |
| H6 | C13 | C14 | H7 | 0.1° | 0.4° |
| H7 | C14 | C15 | H8 | 0.8° | 0.1° |
| H8 | C15 | C16 | H68 | 0.6° | 0.0° |
| H9 | C19 | C20 | H59 | 114.0° | 180.0° |
| H9 | C19 | C20 | H60 | 126.5° | 60.0° |
| H10 | C19 | C20 | H59 | 4.1° | 60.0° |
| H10 | C19 | C20 | H60 | 115.4° | 180.0° |
| H11 | C43 | C44 | H19 | 80.8° | 174.7° |
| H13 | C48 | H14 | H15 | 120.0° | 120.0° |
| H16 | C47 | H17 | H18 | 120.0° | 120.0° |
| H19 | C44 | C46 | H20 | 65.0° | 178.6° |
| H19 | C44 | C46 | H21 | 175.0° | 61.5° |
| H19 | C44 | C46 | H22 | 55.0° | 58.6° |
| H19 | C44 | C45 | H23 | 65.2° | 156.4° |
| H19 | C44 | C45 | H24 | 54.8° | 36.4° |
| H19 | C44 | C45 | H25 | 174.8° | 83.7° |
| H20 | C46 | H21 | H22 | 120.0° | 120.0° |
| H23 | C45 | H24 | H25 | 120.0° | 120.0° |
| H26 | N3 | C37 | H27 | 155.5° | 149.3° |
| H27 | C37 | C38 | H28 | 53.3° | 64.4° |
| H27 | C37 | C38 | H29 | 172.0° | 175.5° |
| H28 | C38 | C39 | H30 | 128.4° | 174.9° |
| H29 | C38 | C39 | H30 | 112.9° | 65.0° |
| H30 | C39 | C41 | H31 | 59.5° | 65.4° |
| H30 | C39 | C41 | H32 | 179.5° | 54.7° |
| H30 | C39 | C41 | H33 | 60.5° | 174.7° |
| H30 | C39 | C40 | H34 | 59.5° | 60.0° |
| H30 | C39 | C40 | H35 | 60.5° | 60.0° |
| H30 | C39 | C40 | H36 | 179.5° | 180.0° |
| H31 | C41 | H32 | H33 | 119.9° | 119.9° |
| H34 | C40 | H35 | H36 | 120.0° | 120.0° |
| H37 | N2 | C31 | H38 | 155.6° | 145.0° |
| H38 | C31 | C32 | H39 | 157.0° | 175.0° |
| H38 | C31 | C32 | H40 | 38.8° | 65.1° |
| H39 | C32 | C33 | H41 | 65.3° | 65.0° |
| H40 | C32 | C33 | H41 | 176.5° | 175.0° |
| H41 | C33 | C35 | H42 | 63.2° | 180.0° |
| H41 | C33 | C35 | H43 | 56.8° | 60.0° |
| H41 | C33 | C35 | H44 | 176.8° | 60.0° |
| H41 | C33 | C34 | H45 | 61.0° | 179.9° |
| H41 | C33 | C34 | H46 | 59.0° | 60.0° |
| H41 | C33 | C34 | H47 | 179.0° | 60.0° |
| H42 | C35 | H43 | H44 | 120.0° | 120.0° |
| H45 | C34 | H46 | H47 | 120.0° | 120.0° |
| H48 | N1 | C21 | H49 | 179.9° | 145.0° |
| H49 | C21 | C22 | H50 | 168.9° | 175.0° |
| H49 | C21 | C22 | H51 | 71.2° | 65.0° |
| H49 | C21 | C20 | H59 | 68.1° | 175.0° |
| H49 | C21 | C20 | H60 | 51.5° | 65.0° |
| H50 | C22 | C23 | H52 | 173.3° | 180.0° |
| H50 | C22 | C23 | H53 | 53.2° | 60.0° |
| H51 | C22 | C23 | H52 | 66.8° | 60.0° |
| H51 | C22 | C23 | H53 | 173.2° | 180.0° |
| H54 | C29 | C28 | H55 | 0.8° | 0.0° |
| H55 | C28 | C27 | H56 | 0.6° | 0.0° |
| H56 | C27 | C26 | H57 | 0.3° | 0.0° |
| H57 | C26 | C25 | H58 | 0.1° | 0.1° |
| H61 | C | H62 | H63 | 120.0° | 120.0° |
| H67 | C17 | C16 | H68 | 0.3° | 0.0° |
