PRD_002487
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| O3 | C26 | doub | 1.21Å | 1.22Å | |
| O2 | C14 | doub | 1.21Å | 1.20Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C26 | C27 | sing | 1.51Å | 1.49Å | |
| C26 | N2 | sing | 1.35Å | 1.31Å | |
| C17 | N2 | sing | 1.46Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C14 | N | sing | 1.35Å | 1.37Å | |
| C27 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C32 | sing | 1.35Å | 1.31Å | |
| O5 | C38 | doub | 1.21Å | 1.22Å | |
| N | C4 | sing | 1.47Å | 1.48Å | |
| N | C3 | sing | 1.35Å | 1.35Å | |
| C42 | C40 | sing | 1.53Å | 1.54Å | |
| C41 | C40 | sing | 1.53Å | 1.56Å | |
| C4 | C1 | sing | 1.51Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C37 | C35 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C3 | O1 | doub | 1.22Å | 1.26Å | |
| C3 | C2 | sing | 1.41Å | 1.40Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C32 | O4 | doub | 1.21Å | 1.19Å | |
| C1 | C2 | doub | 1.34Å | 1.40Å | |
| C1 | O | sing | 1.35Å | 1.34Å | |
| C40 | C39 | sing | 1.53Å | 1.60Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C38 | N4 | sing | 1.35Å | 1.36Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C33 | N4 | sing | 1.46Å | 1.45Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| O | C | sing | 1.45Å | 1.43Å | |
| C39 | N5 | sing | 1.47Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C44 | N5 | sing | 1.47Å | 1.50Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.34Å | 1.42Å | Aromatic |
| C6 | C9 | sing | 1.47Å | 1.47Å | Aromatic |
| N5 | C43 | sing | 1.47Å | 1.50Å | |
| C7 | N1 | sing | 1.37Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.50Å | Aromatic |
| C10 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| N1 | C8 | sing | 1.38Å | 1.33Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C39 | H7 | sing | 1.09Å | 1.10Å | |
| C44 | H9 | sing | 1.09Å | 1.10Å | |
| C44 | H10 | sing | 1.09Å | 1.10Å | |
| C44 | H11 | sing | 1.09Å | 1.10Å | |
| C43 | H12 | sing | 1.09Å | 1.10Å | |
| C43 | H13 | sing | 1.09Å | 1.10Å | |
| C43 | H14 | sing | 1.09Å | 1.10Å | |
| C40 | H15 | sing | 1.09Å | 1.10Å | |
| C42 | H16 | sing | 1.09Å | 1.10Å | |
| C42 | H17 | sing | 1.09Å | 1.10Å | |
| C42 | H18 | sing | 1.09Å | 1.10Å | |
| C41 | H19 | sing | 1.09Å | 1.10Å | |
| C41 | H20 | sing | 1.09Å | 1.10Å | |
| C41 | H21 | sing | 1.09Å | 1.10Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| N2 | H43 | sing | 0.97Å | 1.00Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å | |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H47 | sing | 1.09Å | 1.10Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.08Å | 1.08Å | |
| C24 | H50 | sing | 1.08Å | 1.08Å | |
| C23 | H51 | sing | 1.08Å | 1.08Å | |
| C22 | H52 | sing | 1.08Å | 1.08Å | |
| C21 | H53 | sing | 1.08Å | 1.08Å | |
| C16 | H54 | sing | 1.09Å | 1.10Å | |
| C16 | H55 | sing | 1.09Å | 1.10Å | |
| C15 | H56 | sing | 1.09Å | 1.10Å | |
| C15 | H57 | sing | 1.09Å | 1.10Å | |
| C | H58 | sing | 1.09Å | 1.10Å | |
| C | H59 | sing | 1.09Å | 1.10Å | |
| C | H60 | sing | 1.09Å | 1.10Å | |
| C10 | H61 | sing | 1.08Å | 1.08Å | |
| C11 | H62 | sing | 1.08Å | 1.08Å | |
| C12 | H63 | sing | 1.08Å | 1.08Å | |
| C13 | H64 | sing | 1.08Å | 1.08Å | |
| C7 | H65 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C29 | C28 | 109.0° | 109.5° |
| C31 | C29 | C30 | 112.2° | 109.5° |
| C31 | C29 | H36 | 107.9° | 109.5° |
| C29 | C31 | H37 | 109.5° | 109.5° |
| C29 | C31 | H38 | 109.5° | 109.5° |
| C29 | C31 | H39 | 109.5° | 109.5° |
| C28 | C29 | C30 | 111.3° | 109.5° |
| C29 | C28 | C27 | 115.1° | 109.5° |
| C29 | C28 | H34 | 108.0° | 109.5° |
| C29 | C28 | H35 | 108.0° | 109.5° |
| C28 | C29 | H36 | 108.1° | 109.4° |
| C30 | C29 | H36 | 108.1° | 109.5° |
| C29 | C30 | H40 | 109.5° | 109.5° |
| C29 | C30 | H41 | 109.5° | 109.5° |
| C29 | C30 | H42 | 109.5° | 109.5° |
| C28 | C27 | C26 | 107.0° | 109.5° |
| C28 | C27 | N3 | 111.4° | 109.5° |
| C28 | C27 | H33 | 110.2° | 109.5° |
| C27 | C28 | H34 | 108.1° | 109.5° |
| C27 | C28 | H35 | 108.0° | 109.5° |
| C15 | C16 | C17 | 110.9° | 109.5° |
| C16 | C15 | C14 | 115.6° | 109.5° |
| C15 | C16 | H54 | 109.1° | 109.4° |
| C15 | C16 | H55 | 109.1° | 109.5° |
| C16 | C15 | H56 | 107.9° | 109.5° |
| C16 | C15 | H57 | 107.9° | 109.5° |
| C16 | C17 | N2 | 108.9° | 109.5° |
| C16 | C17 | C18 | 114.8° | 109.5° |
| C16 | C17 | H44 | 106.6° | 109.5° |
| C17 | C16 | H54 | 109.1° | 109.5° |
| C17 | C16 | H55 | 109.1° | 109.5° |
| O3 | C26 | C27 | 120.2° | 120.0° |
| O3 | C26 | N2 | 120.7° | 120.0° |
| O2 | C14 | C15 | 115.0° | 120.0° |
| O2 | C14 | N | 117.4° | 120.0° |
| C15 | C14 | N | 127.5° | 120.0° |
| C14 | C15 | H56 | 107.9° | 109.5° |
| C14 | C15 | H57 | 107.9° | 109.4° |
| C27 | C26 | N2 | 119.1° | 120.0° |
| C26 | C27 | N3 | 106.4° | 109.4° |
| C26 | C27 | H33 | 110.5° | 109.5° |
| C26 | N2 | C17 | 125.1° | 120.1° |
| C26 | N2 | H43 | 117.5° | 119.9° |
| N2 | C17 | C18 | 111.6° | 109.5° |
| C17 | N2 | H43 | 117.4° | 120.0° |
| N2 | C17 | H44 | 107.5° | 109.5° |
| C17 | C18 | C19 | 110.6° | 109.5° |
| C18 | C17 | H44 | 107.0° | 109.4° |
| C17 | C18 | H45 | 109.2° | 109.4° |
| C17 | C18 | H46 | 109.2° | 109.5° |
| C14 | N | C4 | 119.8° | 126.4° |
| C14 | N | C3 | 127.3° | 126.3° |
| C27 | N3 | C32 | 120.6° | 120.0° |
| C27 | N3 | H3 | 119.7° | 120.0° |
| N3 | C27 | H33 | 111.1° | 109.5° |
| N3 | C32 | C33 | 121.9° | 120.0° |
| N3 | C32 | O4 | 118.0° | 120.0° |
| C32 | N3 | H3 | 119.7° | 120.1° |
| O5 | C38 | N4 | 121.3° | 120.0° |
| O5 | C38 | C39 | 121.1° | 120.0° |
| C4 | N | C3 | 112.8° | 107.2° |
| N | C4 | C1 | 96.0° | 104.8° |
| N | C4 | C5 | 115.1° | 110.2° |
| N | C4 | H4 | 112.5° | 110.6° |
| N | C3 | O1 | 129.3° | 124.5° |
| N | C3 | C2 | 112.4° | 111.1° |
| C42 | C40 | C41 | 107.9° | 109.5° |
| C42 | C40 | C39 | 117.7° | 109.5° |
| C42 | C40 | H15 | 105.0° | 109.4° |
| C40 | C42 | H16 | 109.5° | 109.5° |
| C40 | C42 | H17 | 109.4° | 109.5° |
| C40 | C42 | H18 | 109.5° | 109.5° |
| C41 | C40 | C39 | 115.6° | 109.5° |
| C41 | C40 | H15 | 104.8° | 109.5° |
| C40 | C41 | H19 | 109.5° | 109.5° |
| C40 | C41 | H20 | 109.5° | 109.5° |
| C40 | C41 | H21 | 109.5° | 109.5° |
| C1 | C4 | C5 | 108.6° | 110.4° |
| C4 | C1 | C2 | 117.1° | 106.4° |
| C4 | C1 | O | 119.0° | 126.8° |
| C1 | C4 | H4 | 112.4° | 110.3° |
| C4 | C5 | C6 | 112.4° | 109.5° |
| C5 | C4 | H4 | 111.3° | 110.3° |
| C4 | C5 | H5 | 108.7° | 109.5° |
| C4 | C5 | H6 | 108.8° | 109.5° |
| C37 | C35 | C34 | 118.7° | 109.5° |
| C37 | C35 | C36 | 111.5° | 109.5° |
| C37 | C35 | H26 | 105.8° | 109.4° |
| C35 | C37 | H27 | 109.5° | 109.5° |
| C35 | C37 | H28 | 109.5° | 109.5° |
| C35 | C37 | H29 | 109.4° | 109.5° |
| C18 | C19 | C20 | 107.2° | 109.5° |
| C19 | C18 | H45 | 109.2° | 109.5° |
| C19 | C18 | H46 | 109.2° | 109.5° |
| C18 | C19 | H47 | 110.0° | 109.5° |
| C18 | C19 | H48 | 110.0° | 109.5° |
| O1 | C3 | C2 | 118.2° | 124.4° |
| C3 | C2 | C1 | 101.5° | 110.5° |
| C3 | C2 | H2 | 129.3° | 124.8° |
| C33 | C32 | O4 | 120.1° | 120.0° |
| C32 | C33 | N4 | 108.2° | 109.5° |
| C32 | C33 | C34 | 106.0° | 109.5° |
| C32 | C33 | H23 | 108.8° | 109.4° |
| C2 | C1 | O | 123.8° | 126.8° |
| C1 | C2 | H2 | 129.2° | 124.8° |
| C1 | O | C | 121.9° | 117.0° |
| C40 | C39 | C38 | 118.4° | 109.5° |
| C40 | C39 | N5 | 118.2° | 109.5° |
| C40 | C39 | H7 | 104.2° | 109.5° |
| C39 | C40 | H15 | 104.4° | 109.5° |
| C5 | C6 | C7 | 129.9° | 126.6° |
| C5 | C6 | C9 | 126.7° | 126.5° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C6 | C5 | H6 | 108.7° | 109.4° |
| N4 | C38 | C39 | 117.6° | 120.1° |
| C38 | N4 | C33 | 121.7° | 120.0° |
| C38 | N4 | H22 | 119.1° | 119.9° |
| C38 | C39 | N5 | 104.8° | 109.5° |
| C38 | C39 | H7 | 104.8° | 109.5° |
| N4 | C33 | C34 | 115.6° | 109.5° |
| C33 | N4 | H22 | 119.2° | 120.0° |
| N4 | C33 | H23 | 109.5° | 109.5° |
| C33 | C34 | C35 | 115.8° | 109.5° |
| C34 | C33 | H23 | 108.6° | 109.5° |
| C33 | C34 | H24 | 107.9° | 109.4° |
| C33 | C34 | H25 | 107.9° | 109.5° |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C19 | C20 | C25 | 119.3° | 120.0° |
| C20 | C19 | H47 | 110.0° | 109.5° |
| C20 | C19 | H48 | 110.0° | 109.4° |
| O | C | H58 | 109.5° | 109.5° |
| O | C | H59 | 109.5° | 109.5° |
| O | C | H60 | 109.5° | 109.5° |
| C39 | N5 | C44 | 117.9° | 111.0° |
| C39 | N5 | C43 | 113.3° | 111.0° |
| N5 | C39 | H7 | 104.9° | 109.4° |
| C34 | C35 | C36 | 108.3° | 109.5° |
| C35 | C34 | H24 | 107.9° | 109.5° |
| C35 | C34 | H25 | 107.9° | 109.5° |
| C34 | C35 | H26 | 105.9° | 109.5° |
| C36 | C35 | H26 | 105.7° | 109.5° |
| C35 | C36 | H30 | 109.5° | 109.5° |
| C35 | C36 | H31 | 109.5° | 109.5° |
| C35 | C36 | H32 | 109.5° | 109.4° |
| C44 | N5 | C43 | 113.8° | 111.0° |
| N5 | C44 | H9 | 109.5° | 109.5° |
| N5 | C44 | H10 | 109.5° | 109.4° |
| N5 | C44 | H11 | 109.5° | 109.5° |
| C20 | C21 | C22 | 119.7° | 120.0° |
| C21 | C20 | C25 | 120.6° | 120.0° |
| C20 | C21 | H53 | 120.1° | 120.0° |
| C21 | C22 | C23 | 119.7° | 120.0° |
| C21 | C22 | H52 | 120.2° | 120.0° |
| C22 | C21 | H53 | 120.2° | 120.0° |
| C20 | C25 | C24 | 119.8° | 120.0° |
| C20 | C25 | H49 | 120.1° | 120.0° |
| C7 | C6 | C9 | 103.4° | 107.0° |
| C6 | C7 | N1 | 112.4° | 110.0° |
| C6 | C7 | H65 | 123.8° | 125.0° |
| C6 | C9 | C10 | 132.0° | 134.0° |
| C6 | C9 | C8 | 106.3° | 106.0° |
| N5 | C43 | H12 | 109.5° | 109.4° |
| N5 | C43 | H13 | 109.4° | 109.5° |
| N5 | C43 | H14 | 109.4° | 109.5° |
| C7 | N1 | C8 | 109.7° | 109.9° |
| C7 | N1 | H1 | 125.2° | 125.0° |
| N1 | C7 | H65 | 123.8° | 125.0° |
| C22 | C23 | C24 | 120.5° | 120.0° |
| C22 | C23 | H51 | 119.8° | 120.0° |
| C23 | C22 | H52 | 120.2° | 120.0° |
| C25 | C24 | C23 | 119.7° | 120.0° |
| C24 | C25 | H49 | 120.1° | 120.0° |
| C25 | C24 | H50 | 120.1° | 120.0° |
| C10 | C9 | C8 | 121.6° | 120.0° |
| C9 | C10 | C11 | 118.4° | 119.8° |
| C9 | C10 | H61 | 120.8° | 120.2° |
| C9 | C8 | N1 | 108.2° | 107.1° |
| C9 | C8 | C13 | 117.5° | 119.3° |
| C10 | C11 | C12 | 120.9° | 120.5° |
| C11 | C10 | H61 | 120.8° | 120.1° |
| C10 | C11 | H62 | 119.6° | 119.7° |
| N1 | C8 | C13 | 134.3° | 133.6° |
| C8 | N1 | H1 | 125.2° | 125.0° |
| C23 | C24 | H50 | 120.2° | 120.0° |
| C24 | C23 | H51 | 119.7° | 120.0° |
| C8 | C13 | C12 | 119.7° | 119.8° |
| C8 | C13 | H64 | 120.1° | 120.1° |
| C11 | C12 | C13 | 121.8° | 120.7° |
| C12 | C11 | H62 | 119.6° | 119.7° |
| C11 | C12 | H63 | 119.1° | 119.7° |
| C13 | C12 | H63 | 119.1° | 119.6° |
| C12 | C13 | H64 | 120.1° | 120.1° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H9 | C44 | H10 | 109.4° | 109.4° |
| H9 | C44 | H11 | 109.5° | 109.5° |
| H10 | C44 | H11 | 109.4° | 109.5° |
| H12 | C43 | H13 | 109.5° | 109.5° |
| H12 | C43 | H14 | 109.5° | 109.5° |
| H13 | C43 | H14 | 109.5° | 109.4° |
| H16 | C42 | H17 | 109.5° | 109.5° |
| H16 | C42 | H18 | 109.5° | 109.5° |
| H17 | C42 | H18 | 109.5° | 109.4° |
| H19 | C41 | H20 | 109.5° | 109.5° |
| H19 | C41 | H21 | 109.5° | 109.4° |
| H20 | C41 | H21 | 109.5° | 109.4° |
| H24 | C34 | H25 | 109.4° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.5° |
| H27 | C37 | H29 | 109.5° | 109.4° |
| H28 | C37 | H29 | 109.5° | 109.5° |
| H30 | C36 | H31 | 109.5° | 109.5° |
| H30 | C36 | H32 | 109.4° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H37 | C31 | H38 | 109.5° | 109.5° |
| H37 | C31 | H39 | 109.5° | 109.5° |
| H38 | C31 | H39 | 109.5° | 109.4° |
| H40 | C30 | H41 | 109.5° | 109.5° |
| H40 | C30 | H42 | 109.5° | 109.4° |
| H41 | C30 | H42 | 109.5° | 109.5° |
| H45 | C18 | H46 | 109.5° | 109.5° |
| H47 | C19 | H48 | 109.5° | 109.5° |
| H54 | C16 | H55 | 109.5° | 109.5° |
| H56 | C15 | H57 | 109.5° | 109.5° |
| H58 | C | H59 | 109.5° | 109.4° |
| H58 | C | H60 | 109.4° | 109.4° |
| H59 | C | H60 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C29 | C28 | C30 | 124.4° | 120.0° |
| C31 | C29 | C28 | H36 | 117.0° | 120.0° |
| C31 | C29 | C30 | H36 | 118.9° | 120.0° |
| C31 | C29 | C28 | C27 | 169.2° | 175.0° |
| C31 | C29 | C28 | H34 | 69.9° | 55.0° |
| C31 | C29 | C28 | H35 | 48.4° | 65.0° |
| C29 | C31 | H37 | H38 | 120.0° | 120.0° |
| C29 | C31 | H37 | H39 | 120.0° | 120.0° |
| C29 | C31 | H38 | H39 | 120.0° | 120.0° |
| C31 | C29 | C30 | H40 | 180.0° | 60.0° |
| C31 | C29 | C30 | H41 | 60.0° | 180.0° |
| C31 | C29 | C30 | H42 | 60.0° | 60.0° |
| C28 | C29 | C30 | H36 | 118.6° | 120.0° |
| C29 | C28 | C27 | H34 | 120.8° | 120.0° |
| C29 | C28 | C27 | H35 | 120.8° | 120.0° |
| C29 | C28 | C27 | C26 | 164.7° | 175.0° |
| C29 | C28 | C27 | N3 | 48.8° | 65.0° |
| C29 | C28 | C27 | H33 | 75.1° | 54.9° |
| C29 | C28 | H34 | H35 | 117.4° | 120.0° |
| C28 | C29 | C31 | H37 | 180.0° | 60.0° |
| C28 | C29 | C31 | H38 | 60.0° | 180.0° |
| C28 | C29 | C31 | H39 | 60.0° | 60.0° |
| C28 | C29 | C30 | H40 | 57.5° | 60.0° |
| C28 | C29 | C30 | H41 | 177.5° | 60.0° |
| C28 | C29 | C30 | H42 | 62.5° | 180.0° |
| C30 | C29 | C28 | C27 | 66.4° | 65.0° |
| C30 | C29 | C28 | H34 | 54.4° | 175.0° |
| C30 | C29 | C28 | H35 | 172.8° | 55.0° |
| C30 | C29 | C31 | H37 | 56.2° | 60.0° |
| C30 | C29 | C31 | H38 | 176.2° | 60.0° |
| C30 | C29 | C31 | H39 | 63.9° | 180.0° |
| C29 | C30 | H40 | H41 | 120.0° | 120.0° |
| C29 | C30 | H40 | H42 | 120.0° | 120.0° |
| C29 | C30 | H41 | H42 | 120.0° | 120.0° |
| C28 | C27 | C26 | O3 | 82.0° | 120.0° |
| C28 | C27 | C26 | N3 | 119.2° | 120.0° |
| C28 | C27 | C26 | H33 | 120.1° | 120.0° |
| C28 | C27 | C26 | N2 | 96.7° | 60.0° |
| C28 | C27 | N3 | H33 | 123.3° | 120.0° |
| C28 | C27 | N3 | C32 | 141.2° | 85.0° |
| C28 | C27 | N3 | H3 | 38.8° | 95.0° |
| C27 | C28 | H34 | H35 | 117.4° | 120.0° |
| C27 | C28 | C29 | H36 | 52.2° | 55.0° |
| C15 | C16 | C17 | H54 | 120.2° | 120.0° |
| C15 | C16 | C17 | H55 | 120.2° | 120.1° |
| C16 | C15 | C14 | O2 | 14.6° | 4.5° |
| C16 | C15 | C14 | H56 | 120.9° | 120.0° |
| C16 | C15 | C14 | H57 | 120.9° | 120.0° |
| C15 | C16 | C17 | N2 | 79.8° | 65.0° |
| C15 | C16 | C17 | C18 | 46.2° | 175.0° |
| C16 | C15 | C14 | N | 169.6° | 175.4° |
| C15 | C16 | C17 | H44 | 164.5° | 55.0° |
| C15 | C16 | H54 | H55 | 119.3° | 120.0° |
| C16 | C15 | H56 | H57 | 117.2° | 120.0° |
| C17 | C16 | C15 | C14 | 99.3° | 175.1° |
| C16 | C17 | N2 | C26 | 109.5° | 155.0° |
| C16 | C17 | N2 | C18 | 127.8° | 120.0° |
| C16 | C17 | N2 | H44 | 115.1° | 120.0° |
| C16 | C17 | C18 | H44 | 118.1° | 120.0° |
| C16 | C17 | C18 | C19 | 160.6° | 175.0° |
| C16 | C17 | N2 | H43 | 70.5° | 25.0° |
| C16 | C17 | C18 | H45 | 79.2° | 65.0° |
| C16 | C17 | C18 | H46 | 40.5° | 55.0° |
| C17 | C16 | H54 | H55 | 119.4° | 120.0° |
| C17 | C16 | C15 | H56 | 21.6° | 64.9° |
| C17 | C16 | C15 | H57 | 139.8° | 55.1° |
| O3 | C26 | C27 | N2 | 178.7° | 180.0° |
| O3 | C26 | N2 | C17 | 3.1° | 0.0° |
| O3 | C26 | C27 | N3 | 37.1° | 0.0° |
| O3 | C26 | C27 | H33 | 157.9° | 120.0° |
| O3 | C26 | N2 | H43 | 176.9° | 180.0° |
| O2 | C14 | C15 | N | 175.7° | 179.9° |
| O2 | C14 | N | C4 | 0.8° | 5.0° |
| O2 | C14 | N | C3 | 176.3° | 175.1° |
| O2 | C14 | C15 | H56 | 135.6° | 124.5° |
| O2 | C14 | C15 | H57 | 106.2° | 115.5° |
| C15 | C14 | N | C4 | 176.4° | 175.1° |
| C15 | C14 | N | C3 | 0.6° | 4.9° |
| C14 | C15 | C16 | H54 | 20.9° | 55.1° |
| C14 | C15 | C16 | H55 | 140.5° | 64.9° |
| C14 | C15 | H56 | H57 | 117.2° | 120.0° |
| C27 | C26 | N2 | C17 | 175.6° | 180.0° |
| C26 | C27 | N3 | H33 | 120.4° | 120.0° |
| C26 | C27 | N3 | C32 | 102.5° | 155.0° |
| C26 | C27 | N3 | H3 | 77.5° | 25.0° |
| C26 | C27 | C28 | H34 | 74.5° | 65.0° |
| C26 | C27 | C28 | H35 | 43.9° | 55.0° |
| C27 | C26 | N2 | H43 | 4.4° | 0.0° |
| C26 | N2 | C17 | H43 | 180.0° | 180.0° |
| C26 | N2 | C17 | C18 | 122.6° | 85.0° |
| N2 | C26 | C27 | N3 | 144.1° | 180.0° |
| N2 | C26 | C27 | H33 | 23.4° | 60.0° |
| C26 | N2 | C17 | H44 | 5.6° | 35.0° |
| N2 | C17 | C18 | H44 | 117.4° | 120.0° |
| N2 | C17 | C18 | C19 | 74.8° | 65.0° |
| N2 | C17 | C18 | H45 | 45.4° | 55.0° |
| N2 | C17 | C18 | H46 | 165.1° | 175.1° |
| N2 | C17 | C16 | H54 | 160.0° | 175.0° |
| N2 | C17 | C16 | H55 | 40.4° | 55.1° |
| C17 | C18 | C19 | H45 | 120.2° | 120.0° |
| C17 | C18 | C19 | H46 | 120.2° | 120.0° |
| C17 | C18 | C19 | C20 | 171.3° | 180.0° |
| C18 | C17 | N2 | H43 | 57.3° | 95.0° |
| C17 | C18 | H45 | H46 | 119.5° | 120.0° |
| C17 | C18 | C19 | H47 | 51.6° | 60.0° |
| C17 | C18 | C19 | H48 | 69.1° | 60.0° |
| C18 | C17 | C16 | H54 | 74.0° | 55.0° |
| C18 | C17 | C16 | H55 | 166.4° | 65.0° |
| C14 | N | C4 | C3 | 177.5° | 180.0° |
| C14 | N | C4 | C1 | 175.0° | 180.0° |
| C14 | N | C4 | C5 | 71.1° | 61.2° |
| C14 | N | C3 | O1 | 1.8° | 0.1° |
| C14 | N | C3 | C2 | 176.8° | 179.8° |
| C14 | N | C4 | H4 | 57.7° | 61.1° |
| N | C14 | C15 | H56 | 48.7° | 55.5° |
| N | C14 | C15 | H57 | 69.5° | 64.6° |
| C27 | N3 | C32 | H3 | 180.0° | 180.0° |
| C27 | N3 | C32 | C33 | 177.2° | 175.6° |
| C27 | N3 | C32 | O4 | 1.1° | 4.4° |
| N3 | C27 | C28 | H34 | 169.6° | 55.0° |
| N3 | C27 | C28 | H35 | 72.0° | 175.0° |
| N3 | C32 | C33 | O4 | 178.2° | 179.9° |
| N3 | C32 | C33 | N4 | 120.1° | 160.5° |
| N3 | C32 | C33 | C34 | 115.3° | 79.4° |
| N3 | C32 | C33 | H23 | 1.3° | 40.5° |
| C32 | N3 | C27 | H33 | 17.9° | 35.0° |
| O5 | C38 | C39 | C40 | 21.0° | 105.3° |
| O5 | C38 | N4 | C39 | 176.9° | 180.0° |
| O5 | C38 | N4 | C33 | 3.3° | 5.2° |
| O5 | C38 | C39 | N5 | 113.3° | 14.8° |
| O5 | C38 | C39 | H7 | 136.5° | 134.7° |
| O5 | C38 | N4 | H22 | 176.7° | 174.9° |
| N | C4 | C1 | C5 | 119.0° | 118.7° |
| N | C4 | C1 | H4 | 117.3° | 119.1° |
| N | C4 | C5 | H4 | 129.4° | 122.5° |
| C4 | N | C3 | O1 | 179.0° | 179.9° |
| C4 | N | C3 | C2 | 0.4° | 0.1° |
| N | C4 | C1 | C2 | 3.9° | 0.2° |
| N | C4 | C1 | O | 179.7° | 180.0° |
| N | C4 | C5 | C6 | 59.9° | 178.7° |
| N | C4 | C5 | H5 | 179.7° | 58.6° |
| N | C4 | C5 | H6 | 60.5° | 61.4° |
| C3 | N | C4 | C1 | 2.4° | 0.0° |
| C3 | N | C4 | C5 | 111.4° | 118.8° |
| N | C3 | O1 | C2 | 178.5° | 179.9° |
| N | C3 | C2 | C1 | 2.0° | 0.2° |
| N | C3 | C2 | H2 | 178.0° | 179.9° |
| C3 | N | C4 | H4 | 119.7° | 118.9° |
| C42 | C40 | C41 | C39 | 134.1° | 120.0° |
| C42 | C40 | C41 | H15 | 111.6° | 120.0° |
| C42 | C40 | C39 | H15 | 115.9° | 120.0° |
| C42 | C40 | C39 | C38 | 78.0° | 59.7° |
| C42 | C40 | C39 | N5 | 50.3° | 179.8° |
| C42 | C40 | C39 | H7 | 166.2° | 60.3° |
| C40 | C42 | H16 | H17 | 120.0° | 120.0° |
| C40 | C42 | H16 | H18 | 120.0° | 120.0° |
| C40 | C42 | H17 | H18 | 120.0° | 120.0° |
| C42 | C40 | C41 | H19 | 180.0° | 166.1° |
| C42 | C40 | C41 | H20 | 60.0° | 46.1° |
| C42 | C40 | C41 | H21 | 60.0° | 73.9° |
| C41 | C40 | C39 | H15 | 114.6° | 120.0° |
| C41 | C40 | C39 | C38 | 51.5° | 179.7° |
| C41 | C40 | C39 | N5 | 179.8° | 60.2° |
| C41 | C40 | C39 | H7 | 64.3° | 59.7° |
| C41 | C40 | C42 | H16 | 180.0° | 63.1° |
| C41 | C40 | C42 | H17 | 60.0° | 57.0° |
| C41 | C40 | C42 | H18 | 60.0° | 176.9° |
| C40 | C41 | H19 | H20 | 120.0° | 120.1° |
| C40 | C41 | H19 | H21 | 120.0° | 120.0° |
| C40 | C41 | H20 | H21 | 120.0° | 120.0° |
| C1 | C4 | C5 | H4 | 124.3° | 122.2° |
| C4 | C1 | C2 | C3 | 3.9° | 0.2° |
| C4 | C1 | C2 | O | 176.1° | 179.9° |
| C1 | C4 | C5 | C6 | 46.4° | 66.0° |
| C4 | C1 | O | C | 172.3° | 180.0° |
| C4 | C1 | C2 | H2 | 176.1° | 179.9° |
| C1 | C4 | C5 | H5 | 74.1° | 174.0° |
| C1 | C4 | C5 | H6 | 166.8° | 53.9° |
| C5 | C4 | C1 | C2 | 115.1° | 118.9° |
| C5 | C4 | C1 | O | 61.2° | 61.3° |
| C4 | C5 | C6 | H5 | 120.4° | 120.0° |
| C4 | C5 | C6 | H6 | 120.4° | 120.0° |
| C4 | C5 | C6 | C7 | 65.3° | 95.4° |
| C4 | C5 | C6 | C9 | 112.0° | 84.1° |
| C4 | C5 | H5 | H6 | 118.7° | 120.0° |
| C37 | C35 | C34 | C33 | 42.5° | 65.7° |
| C37 | C35 | C34 | C36 | 128.5° | 120.0° |
| C37 | C35 | C34 | H26 | 118.5° | 120.0° |
| C37 | C35 | C36 | H26 | 114.5° | 120.0° |
| C37 | C35 | C34 | H24 | 163.4° | 54.3° |
| C37 | C35 | C34 | H25 | 78.5° | 174.3° |
| C35 | C37 | H27 | H28 | 120.0° | 120.0° |
| C35 | C37 | H27 | H29 | 120.0° | 120.0° |
| C35 | C37 | H28 | H29 | 120.0° | 120.0° |
| C37 | C35 | C36 | H30 | 180.0° | 180.0° |
| C37 | C35 | C36 | H31 | 60.0° | 60.0° |
| C37 | C35 | C36 | H32 | 60.0° | 60.0° |
| C18 | C19 | C20 | H47 | 119.6° | 120.0° |
| C18 | C19 | C20 | H48 | 119.6° | 120.0° |
| C18 | C19 | C20 | C21 | 95.8° | 90.2° |
| C18 | C19 | C20 | C25 | 85.2° | 90.0° |
| C19 | C18 | C17 | H44 | 42.6° | 55.0° |
| C19 | C18 | H45 | H46 | 119.4° | 120.0° |
| C18 | C19 | H47 | H48 | 121.0° | 120.0° |
| O1 | C3 | C2 | C1 | 176.8° | 179.8° |
| O1 | C3 | C2 | H2 | 3.2° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C3 | C2 | C1 | O | 180.0° | 179.9° |
| C32 | C33 | N4 | C38 | 88.2° | 151.3° |
| C32 | C33 | N4 | C34 | 118.6° | 120.0° |
| C32 | C33 | N4 | H23 | 118.4° | 119.9° |
| C32 | C33 | C34 | H23 | 116.7° | 119.9° |
| C32 | C33 | C34 | C35 | 146.2° | 63.5° |
| C33 | C32 | N3 | H3 | 2.8° | 4.4° |
| C32 | C33 | N4 | H22 | 91.8° | 28.8° |
| C32 | C33 | C34 | H24 | 92.8° | 176.5° |
| C32 | C33 | C34 | H25 | 25.3° | 56.5° |
| O4 | C32 | C33 | N4 | 61.6° | 19.6° |
| O4 | C32 | C33 | C34 | 62.9° | 100.5° |
| O4 | C32 | N3 | H3 | 178.9° | 175.6° |
| O4 | C32 | C33 | H23 | 179.5° | 139.5° |
| C2 | C1 | O | C | 3.8° | 0.2° |
| C2 | C1 | C4 | H4 | 121.3° | 119.0° |
| O | C1 | C2 | H2 | 0.0° | 0.2° |
| O | C1 | C4 | H4 | 62.4° | 60.9° |
| C1 | O | C | H58 | 180.0° | 60.0° |
| C1 | O | C | H59 | 60.0° | 60.0° |
| C1 | O | C | H60 | 60.0° | 180.0° |
| C40 | C39 | C38 | N4 | 162.1° | 74.7° |
| C40 | C39 | C38 | N5 | 134.3° | 120.0° |
| C40 | C39 | C38 | H7 | 115.5° | 120.0° |
| C40 | C39 | N5 | H7 | 115.5° | 120.0° |
| C40 | C39 | N5 | C44 | 60.3° | 39.8° |
| C40 | C39 | N5 | C43 | 76.2° | 84.1° |
| C39 | C40 | C42 | H16 | 47.0° | 57.0° |
| C39 | C40 | C42 | H17 | 73.0° | 177.0° |
| C39 | C40 | C42 | H18 | 167.0° | 63.0° |
| C39 | C40 | C41 | H19 | 45.9° | 73.8° |
| C39 | C40 | C41 | H20 | 165.9° | 166.1° |
| C39 | C40 | C41 | H21 | 74.1° | 46.1° |
| C5 | C6 | C7 | C9 | 177.8° | 179.7° |
| C5 | C6 | C7 | N1 | 176.5° | 180.0° |
| C5 | C6 | C9 | C10 | 2.8° | 0.4° |
| C5 | C6 | C9 | C8 | 177.6° | 179.9° |
| C6 | C5 | C4 | H4 | 170.7° | 56.2° |
| C6 | C5 | H5 | H6 | 118.7° | 120.0° |
| C5 | C6 | C7 | H65 | 3.4° | 0.3° |
| C38 | N4 | C33 | H22 | 180.0° | 179.9° |
| C38 | N4 | C33 | C34 | 153.2° | 88.7° |
| N4 | C38 | C39 | N5 | 63.6° | 165.2° |
| N4 | C38 | C39 | H7 | 46.5° | 45.3° |
| C38 | N4 | C33 | H23 | 30.2° | 31.4° |
| C39 | C38 | N4 | C33 | 179.7° | 174.9° |
| C38 | C39 | N5 | H7 | 110.1° | 120.0° |
| C38 | C39 | N5 | C44 | 74.1° | 80.2° |
| C38 | C39 | N5 | C43 | 149.4° | 155.9° |
| C38 | C39 | C40 | H15 | 166.1° | 60.2° |
| C39 | C38 | N4 | H22 | 0.3° | 5.1° |
| N4 | C33 | C34 | H23 | 123.5° | 120.0° |
| N4 | C33 | C34 | C35 | 93.9° | 176.5° |
| N4 | C33 | C34 | H24 | 27.0° | 56.5° |
| N4 | C33 | C34 | H25 | 145.1° | 63.5° |
| C33 | C34 | C35 | H24 | 121.0° | 120.0° |
| C33 | C34 | C35 | H25 | 120.9° | 120.0° |
| C33 | C34 | C35 | C36 | 170.9° | 174.3° |
| C34 | C33 | N4 | H22 | 26.8° | 91.3° |
| C33 | C34 | H24 | H25 | 117.1° | 120.0° |
| C33 | C34 | C35 | H26 | 76.1° | 54.3° |
| C19 | C20 | C21 | C25 | 178.9° | 179.8° |
| C19 | C20 | C21 | C22 | 179.6° | 179.7° |
| C19 | C20 | C25 | C24 | 179.9° | 180.0° |
| C20 | C19 | C18 | H45 | 68.6° | 60.0° |
| C20 | C19 | C18 | H46 | 51.1° | 60.0° |
| C20 | C19 | H47 | H48 | 121.0° | 120.0° |
| C19 | C20 | C25 | H49 | 0.1° | 0.0° |
| C19 | C20 | C21 | H53 | 0.4° | 0.0° |
| O | C | H58 | H59 | 120.0° | 120.0° |
| O | C | H58 | H60 | 120.0° | 120.0° |
| O | C | H59 | H60 | 120.0° | 120.1° |
| C39 | N5 | C44 | C43 | 136.3° | 123.9° |
| C39 | N5 | C44 | H9 | 180.0° | 176.0° |
| C39 | N5 | C44 | H10 | 60.0° | 56.1° |
| C39 | N5 | C44 | H11 | 60.0° | 63.9° |
| C39 | N5 | C43 | H12 | 180.0° | 52.9° |
| C39 | N5 | C43 | H13 | 60.0° | 172.9° |
| C39 | N5 | C43 | H14 | 60.0° | 67.1° |
| N5 | C39 | C40 | H15 | 65.6° | 59.8° |
| C34 | C35 | C36 | H26 | 113.2° | 120.0° |
| C35 | C34 | C33 | H23 | 29.5° | 56.4° |
| C35 | C34 | H24 | H25 | 117.1° | 120.0° |
| C34 | C35 | C37 | H27 | 180.0° | 56.8° |
| C34 | C35 | C37 | H28 | 60.0° | 63.2° |
| C34 | C35 | C37 | H29 | 60.0° | 176.7° |
| C34 | C35 | C36 | H30 | 47.6° | 60.0° |
| C34 | C35 | C36 | H31 | 72.4° | 180.0° |
| C34 | C35 | C36 | H32 | 167.6° | 60.0° |
| C36 | C35 | C34 | H24 | 68.1° | 65.7° |
| C36 | C35 | C34 | H25 | 50.0° | 54.3° |
| C36 | C35 | C37 | H27 | 53.0° | 176.8° |
| C36 | C35 | C37 | H28 | 67.0° | 56.8° |
| C36 | C35 | C37 | H29 | 173.0° | 63.2° |
| C35 | C36 | H30 | H31 | 120.0° | 120.0° |
| C35 | C36 | H30 | H32 | 120.0° | 120.0° |
| C35 | C36 | H31 | H32 | 120.0° | 120.0° |
| C44 | N5 | C39 | H7 | 175.9° | 159.8° |
| N5 | C44 | H9 | H10 | 120.0° | 119.9° |
| N5 | C44 | H9 | H11 | 120.0° | 120.1° |
| N5 | C44 | H10 | H11 | 120.0° | 120.0° |
| C44 | N5 | C43 | H12 | 41.7° | 176.8° |
| C44 | N5 | C43 | H13 | 78.3° | 63.2° |
| C44 | N5 | C43 | H14 | 161.7° | 56.8° |
| C20 | C21 | C22 | H53 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 1.3° | 0.6° |
| C21 | C20 | C25 | C24 | 1.2° | 0.3° |
| C21 | C20 | C19 | H47 | 23.8° | 149.7° |
| C21 | C20 | C19 | H48 | 144.5° | 29.8° |
| C21 | C20 | C25 | H49 | 178.8° | 179.7° |
| C20 | C21 | C22 | H52 | 178.7° | 179.7° |
| C22 | C21 | C20 | C25 | 0.7° | 0.5° |
| C21 | C22 | C23 | H52 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 2.8° | 0.3° |
| C21 | C22 | C23 | H51 | 177.2° | 179.8° |
| C20 | C25 | C24 | H49 | 180.0° | 180.0° |
| C20 | C25 | C24 | C23 | 0.4° | 0.0° |
| C25 | C20 | C19 | H47 | 155.2° | 30.0° |
| C25 | C20 | C19 | H48 | 34.4° | 150.0° |
| C20 | C25 | C24 | H50 | 179.6° | 180.0° |
| C25 | C20 | C21 | H53 | 179.3° | 179.7° |
| C6 | C7 | N1 | H65 | 180.0° | 179.7° |
| C7 | C6 | C9 | C10 | 179.3° | 179.9° |
| C7 | C6 | C9 | C8 | 0.2° | 0.2° |
| C6 | C7 | N1 | C8 | 1.9° | 0.3° |
| C6 | C7 | N1 | H1 | 178.2° | 179.9° |
| C7 | C6 | C5 | H5 | 174.2° | 144.5° |
| C7 | C6 | C5 | H6 | 55.1° | 24.5° |
| C9 | C6 | C7 | N1 | 1.2° | 0.3° |
| C6 | C9 | C10 | C8 | 179.5° | 179.7° |
| C6 | C9 | C10 | C11 | 179.3° | 180.0° |
| C6 | C9 | C8 | N1 | 0.8° | 0.0° |
| C6 | C9 | C8 | C13 | 178.5° | 180.0° |
| C9 | C6 | C5 | H5 | 8.5° | 35.9° |
| C9 | C6 | C5 | H6 | 127.6° | 155.9° |
| C6 | C9 | C10 | H61 | 0.7° | 0.1° |
| C9 | C6 | C7 | H65 | 178.8° | 180.0° |
| C43 | N5 | C39 | H7 | 39.4° | 35.9° |
| C43 | N5 | C44 | H9 | 43.8° | 60.1° |
| C43 | N5 | C44 | H10 | 163.7° | 180.0° |
| C43 | N5 | C44 | H11 | 76.3° | 60.0° |
| N5 | C43 | H12 | H13 | 120.0° | 120.0° |
| N5 | C43 | H12 | H14 | 120.0° | 120.0° |
| N5 | C43 | H13 | H14 | 120.0° | 120.0° |
| C7 | N1 | C8 | C9 | 1.6° | 0.2° |
| C7 | N1 | C8 | H1 | 180.0° | 179.8° |
| C7 | N1 | C8 | C13 | 177.5° | 179.8° |
| C22 | C23 | C24 | C25 | 2.4° | 0.0° |
| C22 | C23 | C24 | H51 | 180.0° | 179.9° |
| C22 | C23 | C24 | H50 | 177.6° | 180.0° |
| C23 | C22 | C21 | H53 | 178.7° | 179.7° |
| C25 | C24 | C23 | H50 | 180.0° | 180.0° |
| C25 | C24 | C23 | H51 | 177.6° | 180.0° |
| C9 | C10 | C11 | H61 | 180.0° | 179.9° |
| C10 | C9 | C8 | N1 | 179.6° | 179.8° |
| C10 | C9 | C8 | C13 | 1.2° | 0.2° |
| C9 | C10 | C11 | C12 | 1.1° | 0.0° |
| C9 | C10 | C11 | H62 | 178.9° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.3° |
| C9 | C8 | N1 | C13 | 179.1° | 179.9° |
| C9 | C8 | C13 | C12 | 0.7° | 0.1° |
| C9 | C8 | N1 | H1 | 178.4° | 180.0° |
| C8 | C9 | C10 | H61 | 179.8° | 179.8° |
| C9 | C8 | C13 | H64 | 179.3° | 179.9° |
| C10 | C11 | C12 | H62 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.6° | 0.3° |
| C10 | C11 | C12 | H63 | 178.4° | 180.0° |
| N1 | C8 | C13 | C12 | 179.8° | 179.8° |
| N1 | C8 | C13 | H64 | 0.3° | 0.0° |
| C8 | N1 | C7 | H65 | 178.1° | 180.0° |
| C23 | C24 | C25 | H49 | 179.6° | 180.0° |
| C24 | C23 | C22 | H52 | 177.2° | 180.0° |
| C8 | C13 | C12 | C11 | 0.6° | 0.4° |
| C8 | C13 | C12 | H64 | 180.0° | 179.8° |
| C13 | C8 | N1 | H1 | 2.5° | 0.0° |
| C8 | C13 | C12 | H63 | 179.4° | 179.9° |
| C11 | C12 | C13 | H63 | 180.0° | 179.7° |
| C12 | C11 | C10 | H61 | 178.9° | 180.0° |
| C11 | C12 | C13 | H64 | 179.4° | 179.8° |
| C13 | C12 | C11 | H62 | 178.4° | 179.7° |
| H1 | N1 | C7 | H65 | 1.8° | 0.2° |
| H3 | N3 | C27 | H33 | 162.1° | 145.0° |
| H4 | C4 | C5 | H5 | 50.2° | 63.9° |
| H4 | C4 | C5 | H6 | 68.9° | 176.1° |
| H7 | C39 | C40 | H15 | 50.3° | 179.8° |
| H9 | C44 | H10 | H11 | 120.0° | 120.0° |
| H12 | C43 | H13 | H14 | 120.0° | 120.0° |
| H15 | C40 | C42 | H16 | 68.6° | 176.9° |
| H15 | C40 | C42 | H17 | 171.4° | 63.0° |
| H15 | C40 | C42 | H18 | 51.5° | 57.0° |
| H15 | C40 | C41 | H19 | 68.4° | 46.2° |
| H15 | C40 | C41 | H20 | 51.6° | 73.9° |
| H15 | C40 | C41 | H21 | 171.6° | 166.1° |
| H16 | C42 | H17 | H18 | 120.0° | 120.0° |
| H19 | C41 | H20 | H21 | 120.0° | 119.9° |
| H22 | N4 | C33 | H23 | 149.8° | 148.7° |
| H23 | C33 | C34 | H24 | 150.5° | 63.6° |
| H23 | C33 | C34 | H25 | 91.4° | 176.5° |
| H24 | C34 | C35 | H26 | 44.9° | 174.3° |
| H25 | C34 | C35 | H26 | 163.0° | 65.7° |
| H26 | C35 | C37 | H27 | 61.4° | 63.2° |
| H26 | C35 | C37 | H28 | 178.6° | 176.8° |
| H26 | C35 | C37 | H29 | 58.6° | 56.8° |
| H26 | C35 | C36 | H30 | 65.5° | 60.0° |
| H26 | C35 | C36 | H31 | 174.5° | 60.0° |
| H26 | C35 | C36 | H32 | 54.5° | 180.0° |
| H27 | C37 | H28 | H29 | 120.0° | 119.9° |
| H30 | C36 | H31 | H32 | 120.0° | 120.0° |
| H33 | C27 | C28 | H34 | 45.8° | 175.0° |
| H33 | C27 | C28 | H35 | 164.1° | 65.0° |
| H34 | C28 | C29 | H36 | 173.1° | 65.0° |
| H35 | C28 | C29 | H36 | 68.6° | 175.0° |
| H36 | C29 | C31 | H37 | 62.9° | 179.9° |
| H36 | C29 | C31 | H38 | 57.1° | 60.0° |
| H36 | C29 | C31 | H39 | 177.1° | 59.9° |
| H36 | C29 | C30 | H40 | 61.1° | 180.0° |
| H36 | C29 | C30 | H41 | 58.9° | 60.0° |
| H36 | C29 | C30 | H42 | 178.9° | 60.0° |
| H37 | C31 | H38 | H39 | 120.0° | 120.0° |
| H40 | C30 | H41 | H42 | 120.0° | 119.9° |
| H43 | N2 | C17 | H44 | 174.4° | 145.1° |
| H44 | C17 | C18 | H45 | 162.8° | 175.0° |
| H44 | C17 | C18 | H46 | 77.6° | 65.0° |
| H44 | C17 | C16 | H54 | 44.3° | 64.9° |
| H44 | C17 | C16 | H55 | 75.3° | 175.1° |
| H45 | C18 | C19 | H47 | 171.8° | 179.9° |
| H45 | C18 | C19 | H48 | 51.1° | 59.9° |
| H46 | C18 | C19 | H47 | 68.6° | 60.0° |
| H46 | C18 | C19 | H48 | 170.7° | 180.0° |
| H49 | C25 | C24 | H50 | 0.4° | 0.0° |
| H50 | C24 | C23 | H51 | 2.4° | 0.0° |
| H51 | C23 | C22 | H52 | 2.8° | 0.0° |
| H52 | C22 | C21 | H53 | 1.3° | 0.0° |
| H54 | C16 | C15 | H56 | 141.8° | 175.1° |
| H54 | C16 | C15 | H57 | 100.0° | 64.8° |
| H55 | C16 | C15 | H56 | 98.6° | 55.1° |
| H55 | C16 | C15 | H57 | 19.6° | 175.2° |
| H58 | C | H59 | H60 | 120.0° | 119.9° |
| H61 | C10 | C11 | H62 | 1.1° | 0.0° |
| H62 | C11 | C12 | H63 | 1.6° | 0.0° |
| H63 | C12 | C13 | H64 | 0.6° | 0.1° |
