SYF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C2 | doub | 1.29Å | 1.30Å | Aromatic |
| N | C1 | sing | 1.31Å | 1.38Å | Aromatic |
| C2 | S | sing | 1.71Å | 1.72Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.49Å | |
| C1 | C3 | doub | 1.35Å | 1.38Å | Aromatic |
| S | C3 | sing | 1.76Å | 1.74Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | C49 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C49 | C48 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C48 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | O | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.54Å | 1.54Å | |
| C11 | C12 | sing | 1.55Å | 1.53Å | |
| C10 | N2 | sing | 1.47Å | 1.47Å | |
| C12 | O1 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.55Å | 1.52Å | |
| N2 | C13 | sing | 1.47Å | 1.46Å | |
| N2 | C14 | sing | 1.35Å | 1.34Å | |
| O2 | C14 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C15 | C44 | sing | 1.53Å | 1.56Å | |
| C15 | N3 | sing | 1.46Å | 1.46Å | |
| C46 | C44 | sing | 1.53Å | 1.53Å | |
| C44 | C47 | sing | 1.53Å | 1.53Å | |
| N3 | C16 | sing | 1.35Å | 1.34Å | |
| C16 | O3 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | O4 | sing | 1.43Å | 1.42Å | |
| C37 | C36 | sing | 1.51Å | 1.52Å | |
| O4 | C19 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| C36 | O7 | doub | 1.21Å | 1.23Å | |
| C36 | N6 | sing | 1.35Å | 1.33Å | |
| C20 | O5 | sing | 1.43Å | 1.42Å | |
| N6 | C35 | sing | 1.47Å | 1.46Å | |
| O5 | C21 | sing | 1.43Å | 1.42Å | |
| C35 | C34 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C22 | O6 | sing | 1.43Å | 1.44Å | |
| O6 | C23 | sing | 1.36Å | 1.37Å | |
| C34 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.48Å | 1.47Å | |
| N5 | C27 | sing | 1.35Å | 1.39Å | Aromatic |
| N5 | C29 | doub | 1.31Å | 1.32Å | Aromatic |
| C27 | C28 | doub | 1.36Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.52Å | 1.49Å | |
| C29 | N4 | sing | 1.35Å | 1.37Å | Aromatic |
| C30 | C31 | sing | 1.55Å | 1.53Å | |
| C28 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| N4 | C32 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.54Å | 1.53Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| C25 | H36 | sing | 1.08Å | 1.08Å | |
| C24 | H37 | sing | 1.08Å | 1.08Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| N3 | H42 | sing | 0.97Å | 1.00Å | |
| C47 | H43 | sing | 1.09Å | 1.10Å | |
| C47 | H44 | sing | 1.09Å | 1.10Å | |
| C47 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H47 | sing | 1.09Å | 1.10Å | |
| C46 | H48 | sing | 1.09Å | 1.10Å | |
| C45 | H49 | sing | 1.09Å | 1.10Å | |
| C45 | H50 | sing | 1.09Å | 1.10Å | |
| C45 | H51 | sing | 1.09Å | 1.10Å | |
| O1 | H52 | sing | 0.97Å | 0.95Å | |
| C48 | H53 | sing | 1.08Å | 1.08Å | |
| C49 | H54 | sing | 1.08Å | 1.08Å | |
| C | H55 | sing | 1.09Å | 1.10Å | |
| C | H56 | sing | 1.09Å | 1.10Å | |
| C | H57 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N | C1 | 110.6° | 117.3° |
| N | C2 | S | 116.2° | 110.4° |
| N | C2 | H12 | 121.9° | 124.8° |
| N | C1 | C | 118.2° | 122.9° |
| N | C1 | C3 | 114.9° | 114.2° |
| C2 | S | C3 | 88.7° | 90.3° |
| S | C2 | H12 | 121.9° | 124.8° |
| C | C1 | C3 | 127.0° | 122.9° |
| C1 | C | H55 | 109.5° | 109.4° |
| C1 | C | H56 | 109.4° | 109.4° |
| C1 | C | H57 | 109.5° | 109.5° |
| C1 | C3 | S | 109.6° | 107.8° |
| C1 | C3 | C4 | 130.9° | 126.1° |
| S | C3 | C4 | 119.4° | 126.1° |
| C3 | C4 | C49 | 121.1° | 120.1° |
| C3 | C4 | C5 | 120.5° | 120.2° |
| C49 | C4 | C5 | 118.2° | 119.7° |
| C4 | C49 | C48 | 120.6° | 119.8° |
| C4 | C49 | H54 | 119.7° | 120.1° |
| C4 | C5 | C6 | 120.8° | 119.9° |
| C4 | C5 | H11 | 119.6° | 120.1° |
| C49 | C48 | C7 | 121.0° | 120.1° |
| C49 | C48 | H53 | 119.5° | 119.9° |
| C48 | C49 | H54 | 119.7° | 120.0° |
| C5 | C6 | C7 | 121.1° | 120.2° |
| C5 | C6 | H10 | 119.4° | 120.0° |
| C6 | C5 | H11 | 119.6° | 120.1° |
| C48 | C7 | C6 | 118.1° | 120.3° |
| C48 | C7 | C8 | 121.4° | 119.9° |
| C7 | C48 | H53 | 119.5° | 119.9° |
| C6 | C7 | C8 | 119.9° | 119.9° |
| C7 | C6 | H10 | 119.4° | 119.9° |
| C7 | C8 | N1 | 115.5° | 109.4° |
| C7 | C8 | H1 | 108.0° | 109.5° |
| C7 | C8 | H2 | 107.9° | 109.5° |
| C8 | N1 | C9 | 123.5° | 120.0° |
| N1 | C8 | H1 | 107.9° | 109.4° |
| N1 | C8 | H2 | 108.0° | 109.4° |
| C8 | N1 | H9 | 118.2° | 120.0° |
| N1 | C9 | O | 122.0° | 120.0° |
| N1 | C9 | C10 | 117.5° | 120.0° |
| C9 | N1 | H9 | 118.2° | 120.0° |
| O | C9 | C10 | 120.3° | 119.9° |
| C9 | C10 | C11 | 111.1° | 109.9° |
| C9 | C10 | N2 | 111.1° | 109.9° |
| C9 | C10 | H3 | 110.0° | 109.8° |
| C10 | C11 | C12 | 105.4° | 102.9° |
| C11 | C10 | N2 | 103.8° | 107.3° |
| C11 | C10 | H3 | 109.8° | 110.0° |
| C10 | C11 | H4 | 110.5° | 110.8° |
| C10 | C11 | H5 | 110.5° | 110.7° |
| C11 | C12 | O1 | 111.6° | 111.0° |
| C11 | C12 | C13 | 103.7° | 101.6° |
| C12 | C11 | H4 | 110.5° | 110.7° |
| C12 | C11 | H5 | 110.5° | 110.7° |
| C11 | C12 | H6 | 109.8° | 111.0° |
| C10 | N2 | C13 | 111.9° | 108.7° |
| C10 | N2 | C14 | 119.2° | 125.7° |
| N2 | C10 | H3 | 110.9° | 109.9° |
| O1 | C12 | C13 | 110.6° | 111.0° |
| O1 | C12 | H6 | 111.1° | 110.9° |
| C12 | O1 | H52 | 109.5° | 114.0° |
| C12 | C13 | N2 | 102.7° | 104.8° |
| C13 | C12 | H6 | 109.8° | 111.0° |
| C12 | C13 | H7 | 111.1° | 110.4° |
| C12 | C13 | H8 | 111.1° | 110.3° |
| C13 | N2 | C14 | 128.9° | 125.6° |
| N2 | C13 | H7 | 111.2° | 110.4° |
| N2 | C13 | H8 | 111.1° | 110.5° |
| N2 | C14 | O2 | 121.4° | 119.9° |
| N2 | C14 | C15 | 119.2° | 120.1° |
| O2 | C14 | C15 | 119.4° | 120.0° |
| C14 | C15 | C44 | 113.9° | 109.5° |
| C14 | C15 | N3 | 107.0° | 109.5° |
| C14 | C15 | H13 | 107.6° | 109.4° |
| C45 | C44 | C15 | 110.6° | 109.5° |
| C45 | C44 | C46 | 108.6° | 109.4° |
| C45 | C44 | C47 | 108.5° | 109.5° |
| C44 | C45 | H49 | 109.5° | 109.5° |
| C44 | C45 | H50 | 109.5° | 109.5° |
| C44 | C45 | H51 | 109.5° | 109.4° |
| C44 | C15 | N3 | 112.2° | 109.5° |
| C15 | C44 | C46 | 110.7° | 109.5° |
| C15 | C44 | C47 | 109.8° | 109.5° |
| C44 | C15 | H13 | 107.4° | 109.5° |
| C15 | N3 | C16 | 123.3° | 120.0° |
| N3 | C15 | H13 | 108.6° | 109.5° |
| C15 | N3 | H42 | 118.4° | 120.0° |
| C46 | C44 | C47 | 108.7° | 109.4° |
| C44 | C46 | H46 | 109.5° | 109.4° |
| C44 | C46 | H47 | 109.5° | 109.5° |
| C44 | C46 | H48 | 109.4° | 109.4° |
| C44 | C47 | H43 | 109.5° | 109.5° |
| C44 | C47 | H44 | 109.5° | 109.5° |
| C44 | C47 | H45 | 109.5° | 109.5° |
| N3 | C16 | O3 | 122.7° | 120.0° |
| N3 | C16 | C17 | 115.9° | 120.0° |
| C16 | N3 | H42 | 118.3° | 119.9° |
| O3 | C16 | C17 | 121.4° | 120.0° |
| C16 | C17 | C18 | 113.5° | 109.5° |
| C16 | C17 | H14 | 108.5° | 109.5° |
| C16 | C17 | H15 | 108.5° | 109.5° |
| C17 | C18 | O4 | 111.2° | 109.5° |
| C18 | C17 | H14 | 108.4° | 109.4° |
| C18 | C17 | H15 | 108.5° | 109.5° |
| C17 | C18 | H16 | 109.0° | 109.5° |
| C17 | C18 | H17 | 109.0° | 109.5° |
| C18 | O4 | C19 | 114.0° | 114.0° |
| O4 | C18 | H16 | 109.1° | 109.5° |
| O4 | C18 | H17 | 109.0° | 109.4° |
| C37 | C36 | O7 | 121.4° | 120.0° |
| C37 | C36 | N6 | 115.9° | 120.0° |
| C36 | C37 | H29 | 109.5° | 109.5° |
| C36 | C37 | H30 | 109.5° | 109.4° |
| C36 | C37 | H31 | 109.5° | 109.4° |
| O4 | C19 | C20 | 110.3° | 109.5° |
| O4 | C19 | H18 | 109.3° | 109.5° |
| O4 | C19 | H19 | 109.3° | 109.4° |
| C19 | C20 | O5 | 109.4° | 109.5° |
| C20 | C19 | H18 | 109.2° | 109.5° |
| C20 | C19 | H19 | 109.2° | 109.5° |
| C19 | C20 | H40 | 109.5° | 109.5° |
| C19 | C20 | H41 | 109.5° | 109.5° |
| O7 | C36 | N6 | 122.6° | 120.0° |
| C36 | N6 | C35 | 122.4° | 120.0° |
| C36 | N6 | H32 | 118.8° | 120.0° |
| C20 | O5 | C21 | 114.4° | 114.0° |
| O5 | C20 | H40 | 109.5° | 109.4° |
| O5 | C20 | H41 | 109.5° | 109.5° |
| N6 | C35 | C34 | 114.0° | 109.4° |
| C35 | N6 | H32 | 118.8° | 120.0° |
| N6 | C35 | H33 | 108.3° | 109.4° |
| N6 | C35 | H34 | 108.3° | 109.5° |
| O5 | C21 | C22 | 109.8° | 109.5° |
| O5 | C21 | H38 | 109.4° | 109.5° |
| O5 | C21 | H39 | 109.4° | 109.5° |
| C35 | C34 | C23 | 120.7° | 120.0° |
| C35 | C34 | C33 | 121.1° | 119.9° |
| C34 | C35 | H33 | 108.3° | 109.5° |
| C34 | C35 | H34 | 108.3° | 109.4° |
| C21 | C22 | O6 | 108.8° | 109.5° |
| C21 | C22 | H20 | 109.6° | 109.5° |
| C21 | C22 | H21 | 109.7° | 109.5° |
| C22 | C21 | H38 | 109.4° | 109.5° |
| C22 | C21 | H39 | 109.4° | 109.4° |
| C22 | O6 | C23 | 118.1° | 117.0° |
| O6 | C22 | H20 | 109.7° | 109.5° |
| O6 | C22 | H21 | 109.6° | 109.5° |
| O6 | C23 | C34 | 115.9° | 120.0° |
| O6 | C23 | C24 | 123.0° | 119.9° |
| C23 | C34 | C33 | 118.2° | 120.1° |
| C34 | C23 | C24 | 121.1° | 120.1° |
| C34 | C33 | C26 | 121.3° | 119.9° |
| C34 | C33 | H28 | 119.3° | 120.1° |
| C23 | C24 | C25 | 119.6° | 120.0° |
| C23 | C24 | H37 | 120.2° | 120.0° |
| C33 | C26 | C25 | 119.1° | 119.9° |
| C33 | C26 | C27 | 120.2° | 120.0° |
| C26 | C33 | H28 | 119.3° | 120.0° |
| C24 | C25 | C26 | 120.7° | 120.0° |
| C24 | C25 | H36 | 119.6° | 120.0° |
| C25 | C24 | H37 | 120.2° | 120.0° |
| C25 | C26 | C27 | 120.6° | 120.1° |
| C26 | C25 | H36 | 119.7° | 120.1° |
| C26 | C27 | N5 | 120.4° | 126.2° |
| C26 | C27 | C28 | 129.4° | 126.1° |
| C27 | N5 | C29 | 105.2° | 109.3° |
| N5 | C27 | C28 | 110.2° | 107.7° |
| N5 | C29 | C30 | 139.5° | 141.2° |
| N5 | C29 | N4 | 111.2° | 108.9° |
| C27 | C28 | N4 | 105.8° | 106.7° |
| C27 | C28 | H35 | 127.1° | 126.6° |
| C30 | C29 | N4 | 109.3° | 109.9° |
| C29 | C30 | C31 | 103.4° | 104.2° |
| C29 | C30 | H22 | 111.0° | 110.5° |
| C29 | C30 | H23 | 111.0° | 110.5° |
| C29 | N4 | C28 | 107.6° | 107.4° |
| C29 | N4 | C32 | 113.3° | 111.2° |
| C30 | C31 | C32 | 106.1° | 101.8° |
| C31 | C30 | H22 | 111.0° | 110.5° |
| C31 | C30 | H23 | 111.0° | 110.5° |
| C30 | C31 | H24 | 110.3° | 111.0° |
| C30 | C31 | H25 | 110.3° | 111.0° |
| C28 | N4 | C32 | 139.2° | 141.4° |
| N4 | C28 | H35 | 127.1° | 126.7° |
| N4 | C32 | C31 | 102.9° | 105.5° |
| N4 | C32 | H26 | 111.1° | 110.3° |
| N4 | C32 | H27 | 111.1° | 110.3° |
| C32 | C31 | H24 | 110.3° | 110.9° |
| C32 | C31 | H25 | 110.3° | 111.0° |
| C31 | C32 | H26 | 111.1° | 110.2° |
| C31 | C32 | H27 | 111.1° | 110.2° |
| H1 | C8 | H2 | 109.4° | 109.5° |
| H4 | C11 | H5 | 109.5° | 110.7° |
| H7 | C13 | H8 | 109.4° | 110.3° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.4° |
| H22 | C30 | H23 | 109.5° | 110.5° |
| H24 | C31 | H25 | 109.5° | 110.9° |
| H26 | C32 | H27 | 109.5° | 110.3° |
| H29 | C37 | H30 | 109.5° | 109.5° |
| H29 | C37 | H31 | 109.5° | 109.5° |
| H30 | C37 | H31 | 109.4° | 109.5° |
| H33 | C35 | H34 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.4° |
| H40 | C20 | H41 | 109.5° | 109.5° |
| H43 | C47 | H44 | 109.5° | 109.5° |
| H43 | C47 | H45 | 109.4° | 109.4° |
| H44 | C47 | H45 | 109.5° | 109.4° |
| H46 | C46 | H47 | 109.4° | 109.5° |
| H46 | C46 | H48 | 109.5° | 109.5° |
| H47 | C46 | H48 | 109.5° | 109.5° |
| H49 | C45 | H50 | 109.4° | 109.5° |
| H49 | C45 | H51 | 109.5° | 109.5° |
| H50 | C45 | H51 | 109.4° | 109.5° |
| H55 | C | H56 | 109.5° | 109.5° |
| H55 | C | H57 | 109.5° | 109.5° |
| H56 | C | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C2 | S | H12 | 180.0° | 179.8° |
| C2 | N | C1 | C | 179.5° | 179.9° |
| C2 | N | C1 | C3 | 0.1° | 0.1° |
| N | C2 | S | C3 | 0.3° | 0.2° |
| C1 | N | C2 | S | 0.2° | 0.1° |
| N | C1 | C | C3 | 179.5° | 180.0° |
| N | C1 | C3 | S | 0.2° | 0.3° |
| N | C1 | C3 | C4 | 176.9° | 179.9° |
| C1 | N | C2 | H12 | 179.8° | 179.9° |
| N | C1 | C | H55 | 0.0° | 85.4° |
| N | C1 | C | H56 | 120.0° | 34.5° |
| N | C1 | C | H57 | 120.0° | 154.5° |
| C2 | S | C3 | C1 | 0.2° | 0.2° |
| C2 | S | C3 | C4 | 177.2° | 179.9° |
| C | C1 | C3 | S | 179.6° | 179.7° |
| C | C1 | C3 | C4 | 2.6° | 0.1° |
| C1 | C | H55 | H56 | 120.0° | 119.9° |
| C1 | C | H55 | H57 | 120.0° | 120.0° |
| C1 | C | H56 | H57 | 120.0° | 120.0° |
| C1 | C3 | S | C4 | 177.5° | 179.8° |
| C1 | C3 | C4 | C49 | 33.6° | 47.5° |
| C1 | C3 | C4 | C5 | 141.4° | 132.5° |
| C3 | C1 | C | H55 | 179.5° | 94.5° |
| C3 | C1 | C | H56 | 60.5° | 145.5° |
| C3 | C1 | C | H57 | 59.5° | 25.5° |
| S | C3 | C4 | C49 | 149.5° | 132.2° |
| S | C3 | C4 | C5 | 35.4° | 47.7° |
| C3 | S | C2 | H12 | 179.7° | 180.0° |
| C3 | C4 | C49 | C5 | 175.2° | 179.9° |
| C3 | C4 | C49 | C48 | 171.9° | 179.7° |
| C3 | C4 | C5 | C6 | 172.1° | 180.0° |
| C3 | C4 | C5 | H11 | 8.0° | 0.0° |
| C3 | C4 | C49 | H54 | 8.1° | 0.1° |
| C4 | C49 | C48 | H54 | 180.0° | 179.8° |
| C49 | C4 | C5 | C6 | 3.2° | 0.1° |
| C4 | C49 | C48 | C7 | 0.0° | 0.5° |
| C49 | C4 | C5 | H11 | 176.8° | 180.0° |
| C4 | C49 | C48 | H53 | 180.0° | 180.0° |
| C5 | C4 | C49 | C48 | 3.3° | 0.2° |
| C4 | C5 | C6 | H11 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | C6 | H10 | 179.9° | 179.7° |
| C5 | C4 | C49 | H54 | 176.7° | 180.0° |
| C49 | C48 | C7 | H53 | 180.0° | 179.5° |
| C49 | C48 | C7 | C6 | 3.3° | 0.5° |
| C49 | C48 | C7 | C8 | 168.3° | 179.4° |
| C5 | C6 | C7 | C48 | 3.4° | 0.2° |
| C5 | C6 | C7 | H10 | 180.0° | 179.8° |
| C5 | C6 | C7 | C8 | 168.3° | 179.7° |
| C48 | C7 | C6 | C8 | 171.7° | 179.9° |
| C48 | C7 | C8 | N1 | 86.3° | 90.0° |
| C48 | C7 | C8 | H1 | 152.9° | 150.0° |
| C48 | C7 | C8 | H2 | 34.7° | 29.9° |
| C48 | C7 | C6 | H10 | 176.6° | 180.0° |
| C7 | C48 | C49 | H54 | 180.0° | 179.7° |
| C6 | C7 | C8 | N1 | 102.4° | 90.0° |
| C6 | C7 | C8 | H1 | 18.5° | 29.9° |
| C6 | C7 | C8 | H2 | 136.7° | 150.0° |
| C7 | C6 | C5 | H11 | 179.8° | 179.9° |
| C6 | C7 | C48 | H53 | 176.7° | 180.0° |
| C7 | C8 | N1 | H1 | 120.9° | 120.0° |
| C7 | C8 | N1 | H2 | 120.9° | 120.0° |
| C7 | C8 | N1 | C9 | 64.9° | 180.0° |
| C7 | C8 | H1 | H2 | 117.2° | 120.1° |
| C7 | C8 | N1 | H9 | 115.1° | 0.0° |
| C8 | C7 | C6 | H10 | 11.7° | 0.1° |
| C8 | C7 | C48 | H53 | 11.8° | 0.1° |
| C8 | N1 | C9 | H9 | 180.0° | 180.0° |
| C8 | N1 | C9 | O | 119.0° | 0.0° |
| C8 | N1 | C9 | C10 | 65.2° | 180.0° |
| N1 | C8 | H1 | H2 | 117.3° | 120.0° |
| N1 | C9 | O | C10 | 175.7° | 180.0° |
| N1 | C9 | C10 | C11 | 114.1° | 62.2° |
| N1 | C9 | C10 | N2 | 130.9° | 180.0° |
| C9 | N1 | C8 | H1 | 56.0° | 60.0° |
| C9 | N1 | C8 | H2 | 174.2° | 60.0° |
| N1 | C9 | C10 | H3 | 7.7° | 59.0° |
| O | C9 | C10 | C11 | 70.0° | 117.8° |
| O | C9 | C10 | N2 | 45.0° | 0.0° |
| O | C9 | C10 | H3 | 168.2° | 121.1° |
| O | C9 | N1 | H9 | 61.0° | 180.0° |
| C9 | C10 | C11 | N2 | 119.5° | 119.5° |
| C9 | C10 | C11 | H3 | 121.9° | 121.0° |
| C9 | C10 | C11 | C12 | 134.4° | 141.7° |
| C9 | C10 | N2 | H3 | 122.7° | 121.0° |
| C9 | C10 | N2 | C13 | 111.9° | 118.3° |
| C9 | C10 | N2 | C14 | 67.1° | 61.7° |
| C9 | C10 | C11 | H4 | 15.1° | 23.2° |
| C9 | C10 | C11 | H5 | 106.2° | 100.0° |
| C10 | C9 | N1 | H9 | 114.8° | 0.0° |
| C10 | C11 | C12 | H4 | 119.4° | 118.4° |
| C10 | C11 | C12 | H5 | 119.4° | 118.4° |
| C11 | C10 | N2 | H3 | 117.9° | 119.6° |
| C10 | C11 | C12 | O1 | 88.0° | 82.5° |
| C10 | C11 | C12 | C13 | 31.1° | 35.5° |
| C11 | C10 | N2 | C13 | 7.6° | 1.1° |
| C11 | C10 | N2 | C14 | 173.4° | 178.9° |
| C10 | C11 | H4 | H5 | 121.9° | 123.2° |
| C10 | C11 | C12 | H6 | 148.4° | 153.6° |
| C12 | C11 | C10 | N2 | 15.0° | 22.2° |
| C11 | C12 | O1 | C13 | 114.9° | 112.2° |
| C11 | C12 | O1 | H6 | 122.8° | 123.9° |
| C11 | C12 | C13 | H6 | 117.3° | 118.1° |
| C11 | C12 | C13 | N2 | 34.9° | 37.1° |
| C12 | C11 | C10 | H3 | 103.7° | 97.3° |
| C12 | C11 | H4 | H5 | 121.9° | 123.2° |
| C11 | C12 | C13 | H7 | 84.1° | 81.9° |
| C11 | C12 | C13 | H8 | 153.8° | 156.0° |
| C11 | C12 | O1 | H52 | 180.0° | 180.0° |
| C10 | N2 | C13 | C12 | 26.9° | 24.2° |
| C10 | N2 | C13 | C14 | 178.9° | 180.0° |
| C10 | N2 | C14 | O2 | 3.1° | 4.6° |
| C10 | N2 | C14 | C15 | 176.9° | 175.4° |
| N2 | C10 | C11 | H4 | 104.4° | 96.2° |
| N2 | C10 | C11 | H5 | 134.3° | 140.6° |
| C10 | N2 | C13 | H7 | 92.0° | 94.7° |
| C10 | N2 | C13 | H8 | 145.9° | 143.0° |
| O1 | C12 | C13 | H6 | 123.0° | 123.8° |
| O1 | C12 | C13 | N2 | 84.9° | 81.0° |
| O1 | C12 | C11 | H4 | 152.6° | 159.0° |
| O1 | C12 | C11 | H5 | 31.3° | 35.8° |
| O1 | C12 | C13 | H7 | 156.2° | 160.0° |
| O1 | C12 | C13 | H8 | 34.0° | 37.9° |
| C12 | C13 | N2 | H7 | 118.9° | 118.9° |
| C12 | C13 | N2 | H8 | 118.9° | 118.8° |
| C12 | C13 | N2 | C14 | 154.2° | 155.8° |
| C13 | C12 | C11 | H4 | 88.3° | 82.9° |
| C13 | C12 | C11 | H5 | 150.4° | 153.9° |
| C12 | C13 | H7 | H8 | 123.1° | 122.2° |
| C13 | C12 | O1 | H52 | 65.1° | 67.9° |
| C13 | N2 | C14 | O2 | 178.1° | 175.4° |
| C13 | N2 | C14 | C15 | 1.9° | 4.6° |
| C13 | N2 | C10 | H3 | 125.5° | 120.7° |
| N2 | C13 | C12 | H6 | 152.1° | 155.1° |
| N2 | C13 | H7 | H8 | 123.1° | 122.4° |
| N2 | C14 | O2 | C15 | 180.0° | 180.0° |
| N2 | C14 | C15 | C44 | 96.2° | 94.5° |
| N2 | C14 | C15 | N3 | 139.2° | 145.6° |
| C14 | N2 | C10 | H3 | 55.5° | 59.3° |
| C14 | N2 | C13 | H7 | 86.9° | 85.3° |
| C14 | N2 | C13 | H8 | 35.2° | 37.0° |
| N2 | C14 | C15 | H13 | 22.7° | 25.6° |
| O2 | C14 | C15 | C44 | 83.8° | 85.5° |
| O2 | C14 | C15 | N3 | 40.7° | 34.5° |
| O2 | C14 | C15 | H13 | 157.3° | 154.4° |
| C14 | C15 | C44 | C45 | 56.7° | 179.2° |
| C14 | C15 | C44 | N3 | 121.7° | 120.0° |
| C14 | C15 | C44 | H13 | 119.0° | 120.0° |
| C14 | C15 | N3 | H13 | 115.9° | 120.0° |
| C14 | C15 | C44 | C46 | 63.7° | 59.3° |
| C14 | C15 | C44 | C47 | 176.4° | 60.7° |
| C14 | C15 | N3 | C16 | 125.9° | 155.0° |
| C14 | C15 | N3 | H42 | 54.0° | 25.1° |
| C45 | C44 | C15 | C46 | 120.3° | 120.0° |
| C45 | C44 | C15 | C47 | 119.7° | 120.0° |
| C45 | C44 | C15 | N3 | 178.4° | 60.8° |
| C45 | C44 | C46 | C47 | 117.9° | 120.0° |
| C45 | C44 | C15 | H13 | 62.3° | 59.3° |
| C45 | C44 | C47 | H43 | 180.0° | 180.0° |
| C45 | C44 | C47 | H44 | 60.0° | 59.9° |
| C45 | C44 | C47 | H45 | 60.0° | 60.0° |
| C45 | C44 | C46 | H46 | 180.0° | 65.0° |
| C45 | C44 | C46 | H47 | 60.0° | 55.0° |
| C45 | C44 | C46 | H48 | 60.0° | 175.0° |
| C44 | C45 | H49 | H50 | 120.0° | 120.0° |
| C44 | C45 | H49 | H51 | 120.0° | 120.0° |
| C44 | C45 | H50 | H51 | 120.0° | 120.0° |
| C44 | C15 | N3 | H13 | 118.6° | 120.0° |
| C15 | C44 | C46 | C47 | 120.6° | 120.0° |
| C44 | C15 | N3 | C16 | 108.5° | 85.0° |
| C44 | C15 | N3 | H42 | 71.5° | 94.9° |
| C15 | C44 | C47 | H43 | 59.0° | 60.0° |
| C15 | C44 | C47 | H44 | 179.0° | 180.0° |
| C15 | C44 | C47 | H45 | 60.9° | 60.0° |
| C15 | C44 | C46 | H46 | 58.4° | 54.9° |
| C15 | C44 | C46 | H47 | 61.5° | 175.0° |
| C15 | C44 | C46 | H48 | 178.5° | 65.0° |
| C15 | C44 | C45 | H49 | 180.0° | 60.0° |
| C15 | C44 | C45 | H50 | 60.0° | 180.0° |
| C15 | C44 | C45 | H51 | 60.0° | 60.0° |
| N3 | C15 | C44 | C46 | 58.0° | 179.3° |
| N3 | C15 | C44 | C47 | 61.9° | 59.3° |
| C15 | N3 | C16 | H42 | 180.0° | 179.9° |
| C15 | N3 | C16 | O3 | 2.4° | 0.0° |
| C15 | N3 | C16 | C17 | 177.7° | 180.0° |
| C46 | C44 | C15 | H13 | 177.3° | 60.7° |
| C46 | C44 | C47 | H43 | 62.1° | 60.0° |
| C46 | C44 | C47 | H44 | 57.9° | 60.0° |
| C46 | C44 | C47 | H45 | 177.9° | 180.0° |
| C44 | C46 | H46 | H47 | 120.0° | 120.0° |
| C44 | C46 | H46 | H48 | 120.0° | 119.9° |
| C44 | C46 | H47 | H48 | 120.0° | 120.0° |
| C46 | C44 | C45 | H49 | 58.4° | 180.0° |
| C46 | C44 | C45 | H50 | 61.6° | 60.0° |
| C46 | C44 | C45 | H51 | 178.4° | 60.0° |
| C47 | C44 | C15 | H13 | 57.4° | 179.3° |
| C44 | C47 | H43 | H44 | 120.0° | 120.1° |
| C44 | C47 | H43 | H45 | 120.0° | 120.0° |
| C44 | C47 | H44 | H45 | 120.0° | 120.0° |
| C47 | C44 | C46 | H46 | 62.1° | 175.0° |
| C47 | C44 | C46 | H47 | 177.9° | 65.0° |
| C47 | C44 | C46 | H48 | 57.9° | 55.0° |
| C47 | C44 | C45 | H49 | 59.6° | 60.0° |
| C47 | C44 | C45 | H50 | 179.6° | 59.9° |
| C47 | C44 | C45 | H51 | 60.5° | 180.0° |
| N3 | C16 | O3 | C17 | 179.9° | 180.0° |
| N3 | C16 | C17 | C18 | 65.1° | 180.0° |
| C16 | N3 | C15 | H13 | 10.1° | 35.1° |
| N3 | C16 | C17 | H14 | 174.3° | 60.0° |
| N3 | C16 | C17 | H15 | 55.5° | 60.0° |
| O3 | C16 | C17 | C18 | 115.0° | 0.0° |
| O3 | C16 | C17 | H14 | 5.6° | 120.0° |
| O3 | C16 | C17 | H15 | 124.4° | 120.0° |
| O3 | C16 | N3 | H42 | 177.6° | 180.0° |
| C16 | C17 | C18 | H14 | 120.6° | 120.0° |
| C16 | C17 | C18 | H15 | 120.6° | 120.0° |
| C16 | C17 | C18 | O4 | 98.4° | 180.0° |
| C16 | C17 | H14 | H15 | 118.2° | 120.0° |
| C16 | C17 | C18 | H16 | 141.4° | 60.0° |
| C16 | C17 | C18 | H17 | 21.9° | 60.0° |
| C17 | C16 | N3 | H42 | 2.3° | 0.1° |
| C17 | C18 | O4 | H16 | 120.3° | 120.0° |
| C17 | C18 | O4 | H17 | 120.2° | 120.0° |
| C17 | C18 | O4 | C19 | 86.1° | 180.0° |
| C18 | C17 | H14 | H15 | 118.2° | 120.0° |
| C17 | C18 | H16 | H17 | 119.2° | 120.0° |
| C18 | O4 | C19 | C20 | 159.5° | 180.0° |
| O4 | C18 | C17 | H14 | 22.2° | 60.0° |
| O4 | C18 | C17 | H15 | 141.0° | 60.0° |
| O4 | C18 | H16 | H17 | 119.2° | 119.9° |
| C18 | O4 | C19 | H18 | 39.3° | 60.0° |
| C18 | O4 | C19 | H19 | 80.4° | 60.0° |
| C37 | C36 | O7 | N6 | 179.9° | 179.9° |
| C37 | C36 | N6 | C35 | 112.5° | 180.0° |
| C36 | C37 | H29 | H30 | 120.0° | 120.0° |
| C36 | C37 | H29 | H31 | 120.0° | 120.0° |
| C36 | C37 | H30 | H31 | 120.0° | 120.0° |
| C37 | C36 | N6 | H32 | 67.5° | 0.1° |
| O4 | C19 | C20 | H18 | 120.2° | 120.0° |
| O4 | C19 | C20 | H19 | 120.1° | 119.9° |
| O4 | C19 | C20 | O5 | 171.0° | 65.0° |
| C19 | O4 | C18 | H16 | 153.6° | 60.0° |
| C19 | O4 | C18 | H17 | 34.1° | 60.0° |
| O4 | C19 | H18 | H19 | 119.6° | 119.9° |
| O4 | C19 | C20 | H40 | 51.1° | 175.0° |
| O4 | C19 | C20 | H41 | 69.0° | 55.0° |
| C19 | C20 | O5 | H40 | 120.0° | 120.0° |
| C19 | C20 | O5 | H41 | 120.0° | 120.0° |
| C19 | C20 | O5 | C21 | 168.6° | 180.0° |
| C20 | C19 | H18 | H19 | 119.6° | 120.0° |
| C19 | C20 | H40 | H41 | 120.0° | 120.0° |
| O7 | C36 | N6 | C35 | 67.6° | 0.0° |
| O7 | C36 | C37 | H29 | 0.0° | 90.0° |
| O7 | C36 | C37 | H30 | 120.0° | 150.0° |
| O7 | C36 | C37 | H31 | 120.0° | 30.0° |
| O7 | C36 | N6 | H32 | 112.4° | 180.0° |
| C36 | N6 | C35 | H32 | 180.0° | 180.0° |
| C36 | N6 | C35 | C34 | 143.4° | 180.0° |
| N6 | C36 | C37 | H29 | 179.9° | 89.9° |
| N6 | C36 | C37 | H30 | 60.1° | 30.0° |
| N6 | C36 | C37 | H31 | 59.9° | 150.0° |
| C36 | N6 | C35 | H33 | 95.9° | 60.0° |
| C36 | N6 | C35 | H34 | 22.8° | 60.0° |
| C20 | O5 | C21 | C22 | 125.3° | 180.0° |
| O5 | C20 | C19 | H18 | 68.8° | 175.0° |
| O5 | C20 | C19 | H19 | 50.9° | 54.9° |
| C20 | O5 | C21 | H38 | 114.6° | 60.0° |
| C20 | O5 | C21 | H39 | 5.3° | 60.0° |
| O5 | C20 | H40 | H41 | 120.1° | 120.0° |
| N6 | C35 | C34 | H33 | 120.7° | 120.0° |
| N6 | C35 | C34 | H34 | 120.6° | 120.0° |
| N6 | C35 | C34 | C23 | 149.2° | 80.0° |
| N6 | C35 | C34 | C33 | 31.2° | 100.0° |
| N6 | C35 | H33 | H34 | 118.0° | 120.0° |
| O5 | C21 | C22 | H38 | 120.1° | 120.0° |
| O5 | C21 | C22 | H39 | 120.1° | 120.0° |
| O5 | C21 | C22 | O6 | 108.6° | 65.0° |
| O5 | C21 | C22 | H20 | 11.3° | 55.0° |
| O5 | C21 | C22 | H21 | 131.5° | 174.9° |
| O5 | C21 | H38 | H39 | 119.8° | 120.0° |
| C21 | O5 | C20 | H40 | 71.5° | 60.0° |
| C21 | O5 | C20 | H41 | 48.6° | 60.0° |
| C35 | C34 | C23 | O6 | 1.4° | 0.0° |
| C35 | C34 | C23 | C33 | 179.6° | 180.0° |
| C35 | C34 | C23 | C24 | 179.1° | 179.7° |
| C35 | C34 | C33 | C26 | 179.8° | 180.0° |
| C35 | C34 | C33 | H28 | 0.2° | 0.0° |
| C34 | C35 | N6 | H32 | 36.6° | 0.0° |
| C34 | C35 | H33 | H34 | 117.9° | 120.0° |
| C21 | C22 | O6 | H20 | 119.9° | 120.0° |
| C21 | C22 | O6 | H21 | 119.9° | 120.1° |
| C21 | C22 | O6 | C23 | 135.0° | 180.0° |
| C21 | C22 | H20 | H21 | 120.3° | 120.0° |
| C22 | C21 | H38 | H39 | 119.8° | 119.9° |
| C22 | O6 | C23 | C34 | 112.4° | 180.0° |
| C22 | O6 | C23 | C24 | 67.1° | 0.2° |
| O6 | C22 | H20 | H21 | 120.3° | 120.0° |
| O6 | C22 | C21 | H38 | 131.3° | 175.0° |
| O6 | C22 | C21 | H39 | 11.4° | 55.0° |
| O6 | C23 | C34 | C24 | 179.4° | 179.7° |
| O6 | C23 | C34 | C33 | 179.0° | 180.0° |
| O6 | C23 | C24 | C25 | 178.8° | 179.7° |
| C23 | O6 | C22 | H20 | 105.1° | 60.0° |
| C23 | O6 | C22 | H21 | 15.1° | 60.0° |
| O6 | C23 | C24 | H37 | 1.2° | 0.2° |
| C23 | C34 | C33 | C26 | 0.2° | 0.0° |
| C34 | C23 | C24 | C25 | 0.6° | 0.5° |
| C23 | C34 | C33 | H28 | 179.8° | 180.0° |
| C23 | C34 | C35 | H33 | 28.6° | 160.0° |
| C23 | C34 | C35 | H34 | 90.1° | 40.0° |
| C34 | C23 | C24 | H37 | 179.4° | 179.9° |
| C33 | C34 | C23 | C24 | 0.5° | 0.3° |
| C34 | C33 | C26 | H28 | 180.0° | 180.0° |
| C34 | C33 | C26 | C25 | 0.8° | 0.0° |
| C34 | C33 | C26 | C27 | 177.8° | 179.7° |
| C33 | C34 | C35 | H33 | 151.8° | 19.9° |
| C33 | C34 | C35 | H34 | 89.5° | 140.0° |
| C23 | C24 | C25 | H37 | 180.0° | 179.5° |
| C23 | C24 | C25 | C26 | 0.0° | 0.5° |
| C23 | C24 | C25 | H36 | 179.9° | 179.5° |
| C33 | C26 | C25 | C24 | 0.7° | 0.3° |
| C33 | C26 | C25 | C27 | 178.6° | 179.7° |
| C33 | C26 | C27 | N5 | 30.7° | 4.9° |
| C33 | C26 | C27 | C28 | 150.6° | 175.3° |
| C33 | C26 | C25 | H36 | 179.3° | 179.8° |
| C24 | C25 | C26 | H36 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 177.9° | 180.0° |
| C25 | C26 | C27 | N5 | 150.8° | 174.8° |
| C25 | C26 | C27 | C28 | 28.0° | 5.0° |
| C25 | C26 | C33 | H28 | 179.2° | 180.0° |
| C26 | C25 | C24 | H37 | 180.0° | 179.9° |
| C26 | C27 | N5 | C28 | 179.0° | 179.8° |
| C26 | C27 | N5 | C29 | 178.7° | 179.8° |
| C26 | C27 | C28 | N4 | 178.5° | 179.9° |
| C27 | C26 | C33 | H28 | 2.2° | 0.3° |
| C26 | C27 | C28 | H35 | 1.5° | 0.2° |
| C27 | C26 | C25 | H36 | 2.2° | 0.0° |
| C27 | N5 | C29 | C30 | 179.0° | 179.9° |
| C27 | N5 | C29 | N4 | 0.2° | 0.5° |
| N5 | C27 | C28 | N4 | 0.3° | 0.1° |
| N5 | C27 | C28 | H35 | 179.6° | 179.9° |
| C29 | N5 | C27 | C28 | 0.3° | 0.4° |
| N5 | C29 | C30 | N4 | 179.1° | 179.7° |
| N5 | C29 | C30 | C31 | 165.2° | 163.7° |
| N5 | C29 | N4 | C28 | 0.0° | 0.4° |
| N5 | C29 | N4 | C32 | 179.1° | 179.6° |
| N5 | C29 | C30 | H22 | 46.2° | 45.0° |
| N5 | C29 | C30 | H23 | 75.7° | 77.6° |
| C27 | C28 | N4 | C29 | 0.2° | 0.2° |
| C27 | C28 | N4 | H35 | 180.0° | 179.8° |
| C27 | C28 | N4 | C32 | 178.6° | 179.8° |
| C29 | C30 | C31 | H22 | 119.0° | 118.7° |
| C29 | C30 | C31 | H23 | 119.0° | 118.7° |
| C30 | C29 | N4 | C28 | 179.4° | 179.8° |
| C30 | C29 | N4 | C32 | 0.3° | 0.2° |
| C29 | C30 | C31 | C32 | 21.7° | 25.2° |
| C29 | C30 | H22 | H23 | 122.8° | 122.6° |
| C29 | C30 | C31 | H24 | 97.8° | 92.9° |
| C29 | C30 | C31 | H25 | 141.2° | 143.3° |
| N4 | C29 | C30 | C31 | 13.9° | 16.6° |
| C29 | N4 | C28 | C32 | 178.8° | 180.0° |
| C29 | N4 | C32 | C31 | 13.5° | 17.1° |
| N4 | C29 | C30 | H22 | 132.9° | 135.3° |
| N4 | C29 | C30 | H23 | 105.1° | 102.1° |
| C29 | N4 | C32 | H26 | 105.5° | 136.1° |
| C29 | N4 | C32 | H27 | 132.4° | 101.9° |
| C29 | N4 | C28 | H35 | 179.7° | 179.7° |
| C30 | C31 | C32 | N4 | 21.4° | 25.7° |
| C30 | C31 | C32 | H24 | 119.4° | 118.1° |
| C30 | C31 | C32 | H25 | 119.5° | 118.2° |
| C31 | C30 | H22 | H23 | 122.8° | 122.5° |
| C30 | C31 | H24 | H25 | 121.5° | 123.9° |
| C30 | C31 | C32 | H26 | 97.6° | 144.8° |
| C30 | C31 | C32 | H27 | 140.3° | 93.3° |
| C28 | N4 | C32 | C31 | 165.3° | 163.0° |
| C28 | N4 | C32 | H26 | 75.8° | 44.0° |
| C28 | N4 | C32 | H27 | 46.3° | 78.1° |
| N4 | C32 | C31 | H26 | 118.9° | 119.0° |
| N4 | C32 | C31 | H27 | 118.9° | 119.1° |
| N4 | C32 | C31 | H24 | 98.1° | 92.4° |
| N4 | C32 | C31 | H25 | 140.9° | 143.9° |
| N4 | C32 | H26 | H27 | 123.0° | 122.0° |
| C32 | N4 | C28 | H35 | 1.4° | 0.4° |
| C32 | C31 | C30 | H22 | 140.7° | 143.9° |
| C32 | C31 | C30 | H23 | 97.3° | 93.5° |
| C32 | C31 | H24 | H25 | 121.6° | 123.8° |
| C31 | C32 | H26 | H27 | 123.1° | 121.9° |
| H1 | C8 | N1 | H9 | 124.0° | 120.0° |
| H2 | C8 | N1 | H9 | 5.8° | 120.0° |
| H3 | C10 | C11 | H4 | 137.0° | 144.3° |
| H3 | C10 | C11 | H5 | 15.7° | 21.0° |
| H4 | C11 | C12 | H6 | 29.0° | 35.2° |
| H5 | C11 | C12 | H6 | 92.2° | 88.0° |
| H6 | C12 | C13 | H7 | 33.2° | 36.2° |
| H6 | C12 | C13 | H8 | 88.9° | 86.0° |
| H6 | C12 | O1 | H52 | 57.2° | 56.0° |
| H10 | C6 | C5 | H11 | 0.1° | 0.3° |
| H13 | C15 | N3 | H42 | 169.9° | 145.0° |
| H14 | C17 | C18 | H16 | 98.0° | 180.0° |
| H14 | C17 | C18 | H17 | 142.5° | 60.0° |
| H15 | C17 | C18 | H16 | 20.8° | 60.1° |
| H15 | C17 | C18 | H17 | 98.7° | 179.9° |
| H18 | C19 | C20 | H40 | 171.2° | 55.0° |
| H18 | C19 | C20 | H41 | 51.2° | 65.0° |
| H19 | C19 | C20 | H40 | 69.1° | 65.0° |
| H19 | C19 | C20 | H41 | 170.9° | 174.9° |
| H20 | C22 | C21 | H38 | 108.8° | 65.0° |
| H20 | C22 | C21 | H39 | 131.3° | 175.1° |
| H21 | C22 | C21 | H38 | 11.4° | 54.9° |
| H21 | C22 | C21 | H39 | 108.5° | 65.1° |
| H22 | C30 | C31 | H24 | 21.2° | 25.9° |
| H22 | C30 | C31 | H25 | 99.8° | 97.9° |
| H23 | C30 | C31 | H24 | 143.2° | 148.4° |
| H23 | C30 | C31 | H25 | 22.1° | 24.6° |
| H24 | C31 | C32 | H26 | 143.0° | 26.7° |
| H24 | C31 | C32 | H27 | 20.9° | 148.6° |
| H25 | C31 | C32 | H26 | 21.9° | 97.1° |
| H25 | C31 | C32 | H27 | 100.2° | 24.8° |
| H29 | C37 | H30 | H31 | 120.0° | 120.0° |
| H32 | N6 | C35 | H33 | 84.1° | 120.0° |
| H32 | N6 | C35 | H34 | 157.2° | 120.0° |
| H36 | C25 | C24 | H37 | 0.0° | 0.0° |
| H43 | C47 | H44 | H45 | 120.0° | 119.9° |
| H46 | C46 | H47 | H48 | 120.0° | 120.1° |
| H49 | C45 | H50 | H51 | 120.0° | 120.0° |
| H53 | C48 | C49 | H54 | 0.0° | 0.2° |
| H55 | C | H56 | H57 | 120.0° | 120.1° |
