8KH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| O2 | C33 | sing | 1.43Å | 1.43Å | |
| O5 | C25 | doub | 1.21Å | 1.22Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C25 | N5 | sing | 1.35Å | 1.34Å | |
| C21 | N4 | sing | 1.46Å | 1.46Å | |
| C33 | C32 | sing | 1.55Å | 1.52Å | |
| C33 | C34 | sing | 1.55Å | 1.52Å | |
| N4 | C20 | sing | 1.35Å | 1.33Å | |
| N5 | C26 | sing | 1.47Å | 1.45Å | |
| C32 | N6 | sing | 1.47Å | 1.47Å | |
| C34 | C35 | sing | 1.54Å | 1.53Å | |
| N6 | C31 | sing | 1.35Å | 1.35Å | |
| N6 | C35 | sing | 1.47Å | 1.47Å | |
| C31 | O4 | doub | 1.21Å | 1.22Å | |
| C31 | C26 | sing | 1.51Å | 1.54Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C20 | O6 | doub | 1.22Å | 1.23Å | |
| C20 | C19 | sing | 1.48Å | 1.50Å | |
| C18 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C48 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | N7 | sing | 1.35Å | 1.33Å | |
| C36 | O3 | doub | 1.21Å | 1.23Å | |
| C30 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| N7 | C37 | sing | 1.47Å | 1.46Å | |
| C48 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C49 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.49Å | |
| C41 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C50 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C50 | C51 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.51Å | 1.50Å | |
| C42 | C43 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C51 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| S | C44 | sing | 1.76Å | 1.74Å | Aromatic |
| S | C47 | sing | 1.71Å | 1.72Å | Aromatic |
| C43 | C44 | sing | 1.48Å | 1.49Å | |
| C43 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.42Å | |
| C39 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | C45 | doub | 1.35Å | 1.38Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.41Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C47 | N8 | doub | 1.29Å | 1.30Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | N | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| O1 | C7 | doub | 1.22Å | 1.23Å | |
| C45 | N8 | sing | 1.31Å | 1.38Å | Aromatic |
| C45 | C46 | sing | 1.51Å | 1.49Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| N2 | C7 | sing | 1.35Å | 1.36Å | |
| C7 | C8 | sing | 1.47Å | 1.49Å | |
| F | C13 | sing | 1.40Å | 1.32Å | |
| F1 | C13 | sing | 1.40Å | 1.31Å | |
| C13 | F2 | sing | 1.40Å | 1.33Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C8 | C12 | sing | 1.42Å | 1.46Å | |
| C8 | C9 | doub | 1.38Å | 1.36Å | |
| C12 | C11 | doub | 1.36Å | 1.35Å | |
| C9 | N3 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | sing | 1.41Å | 1.44Å | |
| N3 | C10 | sing | 1.35Å | 1.37Å | |
| C10 | O | doub | 1.22Å | 1.24Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C48 | H3 | sing | 1.08Å | 1.08Å | |
| C49 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C50 | H10 | sing | 1.08Å | 1.08Å | |
| C51 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | 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 | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| O2 | H48 | sing | 0.97Å | 0.95Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| N7 | H51 | sing | 0.97Å | 1.00Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H53 | sing | 1.09Å | 1.10Å | |
| C41 | H54 | sing | 1.08Å | 1.08Å | |
| C42 | H55 | sing | 1.08Å | 1.08Å | |
| C40 | H56 | sing | 1.08Å | 1.08Å | |
| C39 | H57 | sing | 1.08Å | 1.08Å | |
| C47 | H58 | sing | 1.08Å | 1.08Å | |
| C46 | H59 | sing | 1.09Å | 1.10Å | |
| C46 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | H61 | sing | 1.09Å | 1.10Å | |
| N3 | H62 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 113.8° | 109.5° |
| C23 | C24 | C25 | 112.7° | 109.5° |
| C24 | C23 | H29 | 108.4° | 109.4° |
| C24 | C23 | H30 | 108.4° | 109.5° |
| C23 | C24 | H31 | 108.7° | 109.4° |
| C23 | C24 | H32 | 108.6° | 109.5° |
| C23 | C22 | C21 | 113.4° | 109.5° |
| C23 | C22 | H27 | 108.5° | 109.5° |
| C23 | C22 | H28 | 108.5° | 109.5° |
| C22 | C23 | H29 | 108.4° | 109.5° |
| C22 | C23 | H30 | 108.3° | 109.5° |
| C24 | C25 | O5 | 120.9° | 120.0° |
| C24 | C25 | N5 | 116.0° | 120.0° |
| C25 | C24 | H31 | 108.7° | 109.5° |
| C25 | C24 | H32 | 108.7° | 109.5° |
| O2 | C33 | C32 | 110.6° | 111.0° |
| O2 | C33 | C34 | 110.9° | 110.8° |
| O2 | C33 | H47 | 111.6° | 110.9° |
| C33 | O2 | H48 | 109.5° | 113.9° |
| O5 | C25 | N5 | 123.1° | 120.0° |
| C22 | C21 | N4 | 111.5° | 109.5° |
| C22 | C21 | H25 | 109.0° | 109.4° |
| C22 | C21 | H26 | 108.9° | 109.5° |
| C21 | C22 | H27 | 108.5° | 109.4° |
| C21 | C22 | H28 | 108.5° | 109.5° |
| C25 | N5 | C26 | 123.6° | 120.0° |
| C25 | N5 | H33 | 118.2° | 120.0° |
| C21 | N4 | C20 | 122.1° | 120.0° |
| C21 | N4 | H24 | 118.9° | 120.0° |
| N4 | C21 | H25 | 109.0° | 109.5° |
| N4 | C21 | H26 | 109.0° | 109.5° |
| C32 | C33 | C34 | 102.7° | 101.4° |
| C33 | C32 | N6 | 102.6° | 104.7° |
| C32 | C33 | H47 | 110.4° | 111.0° |
| C33 | C32 | H49 | 111.2° | 110.4° |
| C33 | C32 | H50 | 111.2° | 110.3° |
| C33 | C34 | C35 | 104.1° | 102.9° |
| C33 | C34 | H45 | 110.8° | 110.7° |
| C33 | C34 | H46 | 110.8° | 110.9° |
| C34 | C33 | H47 | 110.3° | 111.3° |
| N4 | C20 | O6 | 121.7° | 120.0° |
| N4 | C20 | C19 | 117.3° | 120.0° |
| C20 | N4 | H24 | 119.0° | 120.0° |
| N5 | C26 | C31 | 107.1° | 109.5° |
| N5 | C26 | C27 | 111.5° | 109.5° |
| C26 | N5 | H33 | 118.2° | 120.0° |
| N5 | C26 | H34 | 108.7° | 109.4° |
| C32 | N6 | C31 | 129.3° | 125.6° |
| C32 | N6 | C35 | 111.8° | 108.8° |
| N6 | C32 | H49 | 111.1° | 110.7° |
| N6 | C32 | H50 | 111.1° | 110.2° |
| C34 | C35 | N6 | 103.4° | 107.3° |
| C34 | C35 | C36 | 111.6° | 109.9° |
| C34 | C35 | H44 | 108.3° | 110.0° |
| C35 | C34 | H45 | 110.8° | 110.7° |
| C35 | C34 | H46 | 110.8° | 110.7° |
| C31 | N6 | C35 | 118.8° | 125.6° |
| N6 | C31 | O4 | 121.4° | 120.0° |
| N6 | C31 | C26 | 119.5° | 120.0° |
| N6 | C35 | C36 | 115.8° | 109.9° |
| N6 | C35 | H44 | 109.1° | 109.9° |
| O4 | C31 | C26 | 119.1° | 120.0° |
| C31 | C26 | C27 | 114.2° | 109.5° |
| C31 | C26 | H34 | 107.7° | 109.5° |
| C35 | C36 | N7 | 115.1° | 120.0° |
| C35 | C36 | O3 | 121.6° | 120.0° |
| C36 | C35 | H44 | 108.3° | 109.9° |
| C26 | C27 | C30 | 108.4° | 109.5° |
| C26 | C27 | C29 | 110.0° | 109.4° |
| C26 | C27 | C28 | 111.9° | 109.5° |
| C27 | C26 | H34 | 107.5° | 109.4° |
| O6 | C20 | C19 | 121.0° | 120.0° |
| C20 | C19 | C18 | 122.3° | 120.0° |
| C20 | C19 | C48 | 119.5° | 120.0° |
| C19 | C18 | C17 | 120.8° | 120.0° |
| C18 | C19 | C48 | 118.2° | 119.9° |
| C19 | C18 | H1 | 119.6° | 120.0° |
| C18 | C17 | C16 | 121.4° | 120.0° |
| C17 | C18 | H1 | 119.6° | 120.0° |
| C18 | C17 | H2 | 119.3° | 120.0° |
| C19 | C48 | C49 | 120.8° | 120.0° |
| C19 | C48 | H3 | 119.6° | 120.0° |
| C17 | C16 | C49 | 117.4° | 120.0° |
| C17 | C16 | C15 | 121.5° | 120.0° |
| C16 | C17 | H2 | 119.3° | 120.0° |
| N7 | C36 | O3 | 123.2° | 120.0° |
| C36 | N7 | C37 | 122.8° | 120.0° |
| C36 | N7 | H51 | 118.6° | 120.0° |
| C30 | C27 | C29 | 108.8° | 109.5° |
| C30 | C27 | C28 | 109.1° | 109.5° |
| C27 | C30 | H35 | 109.5° | 109.5° |
| C27 | C30 | H36 | 109.5° | 109.5° |
| C27 | C30 | H37 | 109.5° | 109.4° |
| C29 | C27 | C28 | 108.6° | 109.4° |
| C27 | C29 | H38 | 109.5° | 109.5° |
| C27 | C29 | H39 | 109.4° | 109.5° |
| C27 | C29 | H40 | 109.5° | 109.4° |
| C27 | C28 | H41 | 109.5° | 109.4° |
| C27 | C28 | H42 | 109.5° | 109.5° |
| C27 | C28 | H43 | 109.5° | 109.5° |
| N7 | C37 | C38 | 111.6° | 109.5° |
| C37 | N7 | H51 | 118.6° | 120.0° |
| N7 | C37 | H52 | 108.9° | 109.4° |
| N7 | C37 | H53 | 108.9° | 109.5° |
| C48 | C49 | C16 | 121.4° | 120.0° |
| C49 | C48 | H3 | 119.6° | 120.0° |
| C48 | C49 | H4 | 119.3° | 120.0° |
| C49 | C16 | C15 | 121.1° | 120.0° |
| C16 | C49 | H4 | 119.3° | 120.0° |
| C16 | C15 | C50 | 121.5° | 120.0° |
| C16 | C15 | C14 | 120.4° | 120.0° |
| C42 | C41 | C38 | 121.1° | 120.1° |
| C41 | C42 | C43 | 120.8° | 119.9° |
| C42 | C41 | H54 | 119.5° | 120.0° |
| C41 | C42 | H55 | 119.6° | 120.1° |
| C41 | C38 | C37 | 120.8° | 119.8° |
| C41 | C38 | C39 | 118.3° | 120.3° |
| C38 | C41 | H54 | 119.4° | 119.9° |
| C15 | C50 | C51 | 121.6° | 120.1° |
| C50 | C15 | C14 | 118.1° | 119.9° |
| C15 | C50 | H10 | 119.2° | 120.0° |
| C50 | C51 | C5 | 120.0° | 120.1° |
| C51 | C50 | H10 | 119.2° | 119.9° |
| C50 | C51 | H11 | 120.0° | 119.9° |
| C37 | C38 | C39 | 120.9° | 119.9° |
| C38 | C37 | H52 | 108.9° | 109.5° |
| C38 | C37 | H53 | 108.9° | 109.5° |
| C42 | C43 | C44 | 120.7° | 120.1° |
| C42 | C43 | C40 | 118.0° | 119.7° |
| C43 | C42 | H55 | 119.6° | 120.0° |
| C15 | C14 | C6 | 120.8° | 119.9° |
| C15 | C14 | H5 | 119.6° | 120.1° |
| C51 | C5 | C6 | 119.1° | 120.0° |
| C51 | C5 | N1 | 121.3° | 120.0° |
| C5 | C51 | H11 | 120.0° | 119.9° |
| C38 | C39 | C40 | 121.1° | 120.2° |
| C38 | C39 | H57 | 119.5° | 119.9° |
| C44 | S | C47 | 88.7° | 90.3° |
| S | C44 | C43 | 118.8° | 126.1° |
| S | C44 | C45 | 109.5° | 107.8° |
| S | C47 | N8 | 116.3° | 110.3° |
| S | C47 | H58 | 121.8° | 124.8° |
| C44 | C43 | C40 | 121.3° | 120.1° |
| C43 | C44 | C45 | 131.7° | 126.1° |
| C43 | C40 | C39 | 120.7° | 119.8° |
| C43 | C40 | H56 | 119.6° | 120.1° |
| C14 | C6 | C5 | 120.3° | 120.0° |
| C14 | C6 | N2 | 118.7° | 120.0° |
| C6 | C14 | H5 | 119.6° | 120.1° |
| C6 | C5 | N1 | 119.5° | 120.0° |
| C5 | C6 | N2 | 120.9° | 120.0° |
| C5 | N1 | C2 | 121.6° | 111.0° |
| C5 | N1 | C4 | 121.9° | 111.0° |
| C39 | C40 | H56 | 119.6° | 120.1° |
| C40 | C39 | H57 | 119.5° | 119.9° |
| C44 | C45 | N8 | 114.8° | 114.2° |
| C44 | C45 | C46 | 127.6° | 122.9° |
| C6 | N2 | C7 | 124.7° | 120.0° |
| C6 | N2 | H6 | 117.6° | 120.0° |
| C2 | N1 | C4 | 114.6° | 110.9° |
| N1 | C2 | C1 | 110.5° | 109.4° |
| N1 | C2 | H12 | 109.2° | 109.5° |
| N1 | C2 | H13 | 109.2° | 109.5° |
| N1 | C4 | C3 | 110.3° | 109.4° |
| N1 | C4 | H16 | 109.3° | 109.4° |
| N1 | C4 | H17 | 109.2° | 109.5° |
| C47 | N8 | C45 | 110.7° | 117.3° |
| N8 | C47 | H58 | 121.9° | 124.9° |
| C4 | C3 | N | 110.7° | 109.3° |
| C3 | C4 | H16 | 109.3° | 109.5° |
| C3 | C4 | H17 | 109.3° | 109.5° |
| C4 | C3 | H18 | 109.2° | 109.5° |
| C4 | C3 | H19 | 109.2° | 109.5° |
| C3 | N | C1 | 109.2° | 110.9° |
| C3 | N | C | 110.6° | 110.9° |
| N | C3 | H18 | 109.2° | 109.5° |
| N | C3 | H19 | 109.1° | 109.5° |
| C2 | C1 | N | 110.7° | 109.4° |
| C1 | C2 | H12 | 109.2° | 109.5° |
| C1 | C2 | H13 | 109.2° | 109.5° |
| C2 | C1 | H14 | 109.1° | 109.5° |
| C2 | C1 | H15 | 109.2° | 109.5° |
| C1 | N | C | 110.6° | 111.0° |
| N | C1 | H14 | 109.2° | 109.5° |
| N | C1 | H15 | 109.2° | 109.4° |
| O1 | C7 | N2 | 123.4° | 120.0° |
| O1 | C7 | C8 | 120.7° | 120.0° |
| N8 | C45 | C46 | 117.6° | 122.9° |
| C45 | C46 | H59 | 109.5° | 109.5° |
| C45 | C46 | H60 | 109.4° | 109.5° |
| C45 | C46 | H61 | 109.5° | 109.4° |
| N | C | H21 | 109.5° | 109.5° |
| N | C | H22 | 109.4° | 109.5° |
| N | C | H23 | 109.5° | 109.5° |
| N2 | C7 | C8 | 115.8° | 120.0° |
| C7 | N2 | H6 | 117.7° | 120.0° |
| C7 | C8 | C12 | 125.7° | 120.2° |
| C7 | C8 | C9 | 116.6° | 120.3° |
| F | C13 | F1 | 101.8° | 109.5° |
| F | C13 | F2 | 110.2° | 109.5° |
| F | C13 | C12 | 112.6° | 109.4° |
| F1 | C13 | F2 | 105.6° | 109.5° |
| F1 | C13 | C12 | 113.3° | 109.4° |
| F2 | C13 | C12 | 112.6° | 109.5° |
| C13 | C12 | C8 | 119.9° | 120.5° |
| C13 | C12 | C11 | 121.0° | 120.5° |
| C12 | C8 | C9 | 117.7° | 119.5° |
| C8 | C12 | C11 | 119.0° | 119.0° |
| C8 | C9 | N3 | 121.5° | 120.5° |
| C8 | C9 | H9 | 119.2° | 119.8° |
| C12 | C11 | C10 | 122.3° | 119.5° |
| C12 | C11 | H8 | 118.8° | 120.2° |
| C9 | N3 | C10 | 124.0° | 121.0° |
| N3 | C9 | H9 | 119.3° | 119.7° |
| C9 | N3 | H62 | 118.0° | 119.5° |
| C11 | C10 | N3 | 115.4° | 120.5° |
| C11 | C10 | O | 125.6° | 119.8° |
| C10 | C11 | H8 | 118.8° | 120.3° |
| N3 | C10 | O | 118.9° | 119.8° |
| C10 | N3 | H62 | 118.0° | 119.4° |
| H12 | C2 | H13 | 109.5° | 109.4° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H16 | C4 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H21 | C | H22 | 109.4° | 109.4° |
| H21 | C | H23 | 109.5° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.4° |
| H35 | C30 | H36 | 109.5° | 109.5° |
| H35 | C30 | H37 | 109.5° | 109.4° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.5° |
| H38 | C29 | H40 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H41 | C28 | H42 | 109.5° | 109.5° |
| H41 | C28 | H43 | 109.5° | 109.5° |
| H42 | C28 | H43 | 109.4° | 109.5° |
| H45 | C34 | H46 | 109.5° | 110.7° |
| H49 | C32 | H50 | 109.5° | 110.4° |
| H52 | C37 | H53 | 109.5° | 109.5° |
| H59 | C46 | H60 | 109.5° | 109.5° |
| H59 | C46 | H61 | 109.5° | 109.5° |
| H60 | C46 | H61 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H29 | 120.7° | 119.9° |
| C24 | C23 | C22 | H30 | 120.6° | 120.0° |
| C23 | C24 | C25 | H31 | 120.5° | 120.0° |
| C23 | C24 | C25 | H32 | 120.5° | 120.0° |
| C23 | C24 | C25 | O5 | 57.7° | 0.0° |
| C24 | C23 | C22 | C21 | 78.7° | 180.0° |
| C23 | C24 | C25 | N5 | 121.2° | 180.0° |
| C24 | C23 | C22 | H27 | 41.9° | 60.0° |
| C24 | C23 | C22 | H28 | 160.8° | 60.0° |
| C24 | C23 | H29 | H30 | 118.0° | 120.0° |
| C23 | C24 | H31 | H32 | 118.5° | 120.0° |
| C22 | C23 | C24 | C25 | 70.5° | 180.0° |
| C23 | C22 | C21 | H27 | 120.6° | 120.0° |
| C23 | C22 | C21 | H28 | 120.6° | 120.0° |
| C23 | C22 | C21 | N4 | 162.9° | 180.0° |
| C23 | C22 | C21 | H25 | 42.6° | 60.0° |
| C23 | C22 | C21 | H26 | 76.8° | 60.0° |
| C23 | C22 | H27 | H28 | 118.2° | 120.1° |
| C22 | C23 | H29 | H30 | 118.0° | 120.1° |
| C22 | C23 | C24 | H31 | 50.0° | 60.0° |
| C22 | C23 | C24 | H32 | 169.0° | 59.9° |
| C24 | C25 | O5 | N5 | 178.8° | 179.9° |
| C24 | C25 | N5 | C26 | 168.5° | 180.0° |
| C25 | C24 | C23 | H29 | 50.2° | 60.0° |
| C25 | C24 | C23 | H30 | 168.9° | 60.0° |
| C25 | C24 | H31 | H32 | 118.5° | 120.0° |
| C24 | C25 | N5 | H33 | 11.5° | 0.1° |
| O2 | C33 | C32 | C34 | 118.4° | 117.7° |
| O2 | C33 | C32 | H47 | 124.0° | 123.9° |
| O2 | C33 | C34 | H47 | 124.2° | 123.9° |
| O2 | C33 | C32 | N6 | 81.9° | 155.0° |
| O2 | C33 | C34 | C35 | 79.9° | 153.6° |
| O2 | C33 | C34 | H45 | 39.2° | 88.1° |
| O2 | C33 | C34 | H46 | 161.0° | 35.1° |
| O2 | C33 | C32 | H49 | 159.2° | 35.9° |
| O2 | C33 | C32 | H50 | 37.0° | 86.4° |
| O5 | C25 | N5 | C26 | 12.6° | 0.1° |
| O5 | C25 | C24 | H31 | 178.2° | 120.0° |
| O5 | C25 | C24 | H32 | 62.7° | 120.0° |
| O5 | C25 | N5 | H33 | 167.4° | 180.0° |
| C22 | C21 | N4 | H25 | 120.3° | 120.0° |
| C22 | C21 | N4 | H26 | 120.3° | 120.0° |
| C22 | C21 | N4 | C20 | 94.0° | 180.0° |
| C22 | C21 | N4 | H24 | 86.1° | 0.0° |
| C22 | C21 | H25 | H26 | 119.1° | 120.0° |
| C21 | C22 | H27 | H28 | 118.2° | 120.0° |
| C21 | C22 | C23 | H29 | 160.7° | 60.1° |
| C21 | C22 | C23 | H30 | 42.0° | 60.0° |
| C25 | N5 | C26 | H33 | 180.0° | 179.9° |
| C25 | N5 | C26 | C31 | 97.9° | 155.0° |
| C25 | N5 | C26 | C27 | 136.5° | 84.9° |
| N5 | C25 | C24 | H31 | 0.7° | 60.1° |
| N5 | C25 | C24 | H32 | 118.3° | 59.9° |
| C25 | N5 | C26 | H34 | 18.2° | 35.1° |
| C21 | N4 | C20 | H24 | 180.0° | 180.0° |
| C21 | N4 | C20 | O6 | 20.3° | 0.0° |
| C21 | N4 | C20 | C19 | 159.8° | 179.7° |
| N4 | C21 | H25 | H26 | 119.1° | 120.0° |
| N4 | C21 | C22 | H27 | 76.5° | 60.0° |
| N4 | C21 | C22 | H28 | 42.3° | 60.0° |
| C32 | C33 | C34 | H47 | 117.7° | 118.2° |
| C33 | C32 | N6 | H49 | 118.9° | 118.9° |
| C33 | C32 | N6 | H50 | 118.9° | 118.6° |
| C32 | C33 | C34 | C35 | 38.2° | 35.7° |
| C33 | C32 | N6 | C31 | 153.4° | 155.8° |
| C33 | C32 | N6 | C35 | 22.0° | 24.5° |
| C32 | C33 | C34 | H45 | 157.3° | 154.0° |
| C32 | C33 | C34 | H46 | 80.9° | 82.8° |
| C32 | C33 | O2 | H48 | 180.0° | 61.5° |
| C33 | C32 | H49 | H50 | 123.2° | 122.3° |
| C34 | C33 | C32 | N6 | 36.5° | 37.3° |
| C33 | C34 | C35 | H45 | 119.1° | 118.3° |
| C33 | C34 | C35 | H46 | 119.1° | 118.6° |
| C33 | C34 | C35 | N6 | 24.7° | 22.2° |
| C33 | C34 | C35 | C36 | 149.8° | 97.2° |
| C33 | C34 | C35 | H44 | 91.0° | 141.7° |
| C33 | C34 | H45 | H46 | 122.5° | 123.3° |
| C34 | C33 | O2 | H48 | 66.8° | 173.4° |
| C34 | C33 | C32 | H49 | 82.4° | 81.8° |
| C34 | C33 | C32 | H50 | 155.4° | 155.9° |
| N4 | C20 | O6 | C19 | 179.8° | 179.7° |
| N4 | C20 | C19 | C18 | 18.3° | 0.6° |
| N4 | C20 | C19 | C48 | 163.3° | 179.7° |
| C20 | N4 | C21 | H25 | 145.7° | 60.0° |
| C20 | N4 | C21 | H26 | 26.3° | 60.0° |
| N5 | C26 | C31 | N6 | 137.3° | 144.7° |
| N5 | C26 | C31 | O4 | 40.2° | 35.3° |
| N5 | C26 | C31 | C27 | 124.0° | 120.1° |
| N5 | C26 | C31 | H34 | 116.8° | 120.0° |
| N5 | C26 | C27 | H34 | 119.0° | 120.0° |
| N5 | C26 | C27 | C30 | 35.5° | 62.8° |
| N5 | C26 | C27 | C29 | 154.4° | 57.2° |
| N5 | C26 | C27 | C28 | 84.9° | 177.1° |
| C32 | N6 | C35 | C34 | 1.6° | 1.3° |
| C32 | N6 | C31 | C35 | 175.1° | 179.7° |
| C32 | N6 | C31 | O4 | 159.7° | 176.1° |
| C32 | N6 | C31 | C26 | 17.6° | 3.9° |
| C32 | N6 | C35 | C36 | 124.0° | 120.7° |
| C32 | N6 | C35 | H44 | 113.5° | 118.3° |
| N6 | C32 | C33 | H47 | 154.1° | 81.1° |
| N6 | C32 | H49 | H50 | 123.1° | 122.3° |
| C34 | C35 | N6 | C31 | 177.6° | 179.0° |
| C34 | C35 | N6 | C36 | 122.4° | 119.4° |
| C34 | C35 | N6 | H44 | 115.1° | 119.6° |
| C34 | C35 | C36 | H44 | 119.2° | 121.1° |
| C34 | C35 | C36 | N7 | 81.0° | 62.2° |
| C34 | C35 | C36 | O3 | 101.9° | 117.9° |
| C35 | C34 | H45 | H46 | 122.5° | 123.2° |
| C35 | C34 | C33 | H47 | 155.9° | 82.5° |
| N6 | C31 | O4 | C26 | 177.4° | 180.0° |
| C31 | N6 | C35 | C36 | 60.1° | 59.6° |
| N6 | C31 | C26 | C27 | 98.7° | 95.3° |
| N6 | C31 | C26 | H34 | 20.5° | 24.7° |
| C31 | N6 | C35 | H44 | 62.4° | 61.5° |
| C31 | N6 | C32 | H49 | 87.7° | 85.3° |
| C31 | N6 | C32 | H50 | 34.5° | 37.2° |
| C35 | N6 | C31 | O4 | 15.4° | 4.2° |
| C35 | N6 | C31 | C26 | 167.2° | 175.8° |
| N6 | C35 | C36 | H44 | 122.9° | 121.1° |
| N6 | C35 | C36 | N7 | 161.0° | 180.0° |
| N6 | C35 | C36 | O3 | 16.1° | 0.1° |
| N6 | C35 | C34 | H45 | 143.9° | 140.5° |
| N6 | C35 | C34 | H46 | 94.4° | 96.4° |
| C35 | N6 | C32 | H49 | 96.9° | 94.5° |
| C35 | N6 | C32 | H50 | 140.9° | 143.1° |
| O4 | C31 | C26 | C27 | 83.8° | 84.8° |
| O4 | C31 | C26 | H34 | 156.9° | 155.3° |
| C31 | C26 | C27 | H34 | 119.4° | 120.0° |
| C31 | C26 | C27 | C30 | 157.1° | 177.2° |
| C31 | C26 | C27 | C29 | 84.0° | 62.9° |
| C31 | C26 | C27 | C28 | 36.7° | 57.1° |
| C31 | C26 | N5 | H33 | 82.1° | 25.1° |
| C35 | C36 | N7 | O3 | 177.0° | 179.9° |
| C35 | C36 | N7 | C37 | 175.9° | 180.0° |
| C36 | C35 | C34 | H45 | 91.0° | 21.1° |
| C36 | C35 | C34 | H46 | 30.7° | 144.2° |
| C35 | C36 | N7 | H51 | 4.1° | 0.0° |
| C26 | C27 | C30 | C29 | 119.6° | 120.0° |
| C26 | C27 | C30 | C28 | 122.1° | 120.1° |
| C26 | C27 | C29 | C28 | 122.7° | 120.0° |
| C27 | C26 | N5 | H33 | 43.5° | 95.0° |
| C26 | C27 | C30 | H35 | 180.0° | 59.9° |
| C26 | C27 | C30 | H36 | 60.0° | 179.9° |
| C26 | C27 | C30 | H37 | 60.0° | 60.0° |
| C26 | C27 | C29 | H38 | 180.0° | 60.0° |
| C26 | C27 | C29 | H39 | 60.0° | 180.0° |
| C26 | C27 | C29 | H40 | 60.0° | 60.0° |
| C26 | C27 | C28 | H41 | 180.0° | 66.4° |
| C26 | C27 | C28 | H42 | 60.0° | 173.6° |
| C26 | C27 | C28 | H43 | 60.0° | 53.6° |
| O6 | C20 | C19 | C18 | 161.9° | 179.7° |
| O6 | C20 | C19 | C48 | 16.5° | 0.1° |
| O6 | C20 | N4 | H24 | 159.7° | 180.0° |
| C20 | C19 | C18 | C48 | 178.4° | 179.7° |
| C20 | C19 | C18 | C17 | 178.4° | 180.0° |
| C20 | C19 | C48 | C49 | 177.9° | 180.0° |
| C20 | C19 | C18 | H1 | 1.6° | 0.1° |
| C20 | C19 | C48 | H3 | 2.2° | 0.0° |
| C19 | C20 | N4 | H24 | 20.2° | 0.3° |
| C19 | C18 | C17 | H1 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.9° | 0.1° |
| C18 | C19 | C48 | C49 | 0.6° | 0.3° |
| C19 | C18 | C17 | H2 | 179.1° | 180.0° |
| C18 | C19 | C48 | H3 | 179.4° | 179.7° |
| C17 | C18 | C19 | C48 | 0.0° | 0.3° |
| C18 | C17 | C16 | H2 | 180.0° | 180.0° |
| C18 | C17 | C16 | C49 | 1.1° | 0.2° |
| C18 | C17 | C16 | C15 | 178.1° | 180.0° |
| C19 | C48 | C49 | H3 | 180.0° | 180.0° |
| C19 | C48 | C49 | C16 | 0.4° | 0.0° |
| C48 | C19 | C18 | H1 | 180.0° | 179.8° |
| C19 | C48 | C49 | H4 | 179.7° | 180.0° |
| C17 | C16 | C49 | C48 | 0.5° | 0.2° |
| C17 | C16 | C49 | C15 | 179.2° | 179.8° |
| C17 | C16 | C15 | C50 | 2.1° | 0.3° |
| C17 | C16 | C15 | C14 | 175.3° | 180.0° |
| C16 | C17 | C18 | H1 | 179.1° | 180.0° |
| C17 | C16 | C49 | H4 | 179.5° | 179.7° |
| C36 | N7 | C37 | H51 | 180.0° | 180.0° |
| C36 | N7 | C37 | C38 | 112.6° | 180.0° |
| N7 | C36 | C35 | H44 | 38.1° | 58.9° |
| C36 | N7 | C37 | H52 | 7.8° | 60.0° |
| C36 | N7 | C37 | H53 | 127.1° | 60.0° |
| O3 | C36 | N7 | C37 | 1.2° | 0.0° |
| O3 | C36 | C35 | H44 | 139.0° | 121.0° |
| O3 | C36 | N7 | H51 | 178.9° | 180.0° |
| C30 | C27 | C29 | C28 | 118.6° | 120.0° |
| C30 | C27 | C26 | H34 | 83.6° | 57.2° |
| C27 | C30 | H35 | H36 | 120.0° | 120.0° |
| C27 | C30 | H35 | H37 | 120.0° | 120.0° |
| C27 | C30 | H36 | H37 | 120.0° | 120.0° |
| C30 | C27 | C29 | H38 | 61.3° | 180.0° |
| C30 | C27 | C29 | H39 | 178.6° | 60.0° |
| C30 | C27 | C29 | H40 | 58.7° | 60.0° |
| C30 | C27 | C28 | H41 | 60.0° | 53.6° |
| C30 | C27 | C28 | H42 | 60.0° | 66.3° |
| C30 | C27 | C28 | H43 | 180.0° | 173.7° |
| C29 | C27 | C26 | H34 | 35.3° | 177.1° |
| C29 | C27 | C30 | H35 | 60.4° | 60.0° |
| C29 | C27 | C30 | H36 | 59.6° | 60.0° |
| C29 | C27 | C30 | H37 | 179.6° | 180.0° |
| C27 | C29 | H38 | H39 | 120.0° | 120.0° |
| C27 | C29 | H38 | H40 | 120.0° | 120.0° |
| C27 | C29 | H39 | H40 | 120.0° | 120.0° |
| C29 | C27 | C28 | H41 | 58.4° | 173.6° |
| C29 | C27 | C28 | H42 | 178.4° | 53.6° |
| C29 | C27 | C28 | H43 | 61.6° | 66.3° |
| C28 | C27 | C26 | H34 | 156.1° | 62.9° |
| C28 | C27 | C30 | H35 | 57.9° | 180.0° |
| C28 | C27 | C30 | H36 | 177.9° | 60.0° |
| C28 | C27 | C30 | H37 | 62.1° | 60.0° |
| C28 | C27 | C29 | H38 | 57.3° | 60.0° |
| C28 | C27 | C29 | H39 | 62.8° | 60.0° |
| C28 | C27 | C29 | H40 | 177.3° | 180.0° |
| C27 | C28 | H41 | H42 | 120.0° | 120.0° |
| C27 | C28 | H41 | H43 | 120.0° | 120.0° |
| C27 | C28 | H42 | H43 | 120.0° | 120.0° |
| N7 | C37 | C38 | C41 | 22.6° | 89.7° |
| N7 | C37 | C38 | H52 | 120.3° | 120.0° |
| N7 | C37 | C38 | H53 | 120.3° | 120.0° |
| N7 | C37 | C38 | C39 | 155.7° | 90.0° |
| N7 | C37 | H52 | H53 | 119.0° | 120.0° |
| C48 | C49 | C16 | H4 | 180.0° | 179.9° |
| C48 | C49 | C16 | C15 | 178.7° | 180.0° |
| C49 | C16 | C15 | C50 | 177.1° | 180.0° |
| C49 | C16 | C15 | C14 | 5.5° | 0.2° |
| C49 | C16 | C17 | H2 | 178.9° | 179.8° |
| C16 | C49 | C48 | H3 | 179.6° | 180.0° |
| C16 | C15 | C50 | C14 | 177.5° | 179.7° |
| C16 | C15 | C50 | C51 | 174.9° | 180.0° |
| C16 | C15 | C14 | C6 | 175.0° | 180.0° |
| C15 | C16 | C17 | H2 | 1.9° | 0.0° |
| C15 | C16 | C49 | H4 | 1.3° | 0.0° |
| C16 | C15 | C14 | H5 | 5.0° | 0.0° |
| C16 | C15 | C50 | H10 | 5.1° | 0.0° |
| C42 | C41 | C38 | H54 | 180.0° | 180.0° |
| C42 | C41 | C38 | C37 | 178.1° | 180.0° |
| C41 | C42 | C43 | H55 | 180.0° | 179.9° |
| C42 | C41 | C38 | C39 | 0.2° | 0.3° |
| C41 | C42 | C43 | C44 | 179.4° | 180.0° |
| C41 | C42 | C43 | C40 | 0.6° | 0.1° |
| C41 | C38 | C37 | C39 | 178.3° | 179.7° |
| C38 | C41 | C42 | C43 | 0.3° | 0.1° |
| C41 | C38 | C39 | C40 | 0.4° | 0.6° |
| C41 | C38 | C37 | H52 | 142.9° | 150.3° |
| C41 | C38 | C37 | H53 | 97.7° | 30.3° |
| C38 | C41 | C42 | H55 | 179.7° | 180.0° |
| C41 | C38 | C39 | H57 | 179.6° | 179.7° |
| C15 | C50 | C51 | H10 | 180.0° | 180.0° |
| C15 | C50 | C51 | C5 | 0.5° | 0.0° |
| C50 | C15 | C14 | C6 | 2.5° | 0.3° |
| C50 | C15 | C14 | H5 | 177.5° | 179.7° |
| C15 | C50 | C51 | H11 | 179.5° | 179.9° |
| C51 | C50 | C15 | C14 | 2.6° | 0.3° |
| C50 | C51 | C5 | H11 | 180.0° | 179.9° |
| C50 | C51 | C5 | C6 | 1.6° | 0.2° |
| C50 | C51 | C5 | N1 | 174.2° | 180.0° |
| C37 | C38 | C39 | C40 | 177.9° | 179.7° |
| C38 | C37 | N7 | H51 | 67.5° | 0.0° |
| C38 | C37 | H52 | H53 | 119.0° | 120.0° |
| C37 | C38 | C41 | H54 | 1.9° | 0.0° |
| C37 | C38 | C39 | H57 | 2.1° | 0.0° |
| C42 | C43 | C44 | S | 30.5° | 50.4° |
| C42 | C43 | C44 | C40 | 178.7° | 179.9° |
| C42 | C43 | C40 | C39 | 0.8° | 0.4° |
| C42 | C43 | C44 | C45 | 151.7° | 129.4° |
| C43 | C42 | C41 | H54 | 179.7° | 180.0° |
| C42 | C43 | C40 | H56 | 179.3° | 180.0° |
| C15 | C14 | C6 | H5 | 180.0° | 180.0° |
| C15 | C14 | C6 | C5 | 0.4° | 0.0° |
| C15 | C14 | C6 | N2 | 175.5° | 180.0° |
| C14 | C15 | C50 | H10 | 177.4° | 179.7° |
| C51 | C5 | C6 | C14 | 1.7° | 0.2° |
| C51 | C5 | C6 | N1 | 175.9° | 179.8° |
| C51 | C5 | C6 | N2 | 177.5° | 179.7° |
| C51 | C5 | N1 | C2 | 70.2° | 60.1° |
| C51 | C5 | N1 | C4 | 126.4° | 63.8° |
| C5 | C51 | C50 | H10 | 179.5° | 180.0° |
| C38 | C39 | C40 | C43 | 0.7° | 0.6° |
| C38 | C39 | C40 | H57 | 180.0° | 179.7° |
| C39 | C38 | C37 | H52 | 35.4° | 30.0° |
| C39 | C38 | C37 | H53 | 84.0° | 150.0° |
| C39 | C38 | C41 | H54 | 179.8° | 179.7° |
| C38 | C39 | C40 | H56 | 179.3° | 179.7° |
| S | C44 | C43 | C45 | 177.9° | 179.7° |
| S | C44 | C43 | C40 | 148.3° | 129.5° |
| C44 | S | C47 | N8 | 0.5° | 0.0° |
| S | C44 | C45 | N8 | 0.7° | 0.4° |
| S | C44 | C45 | C46 | 179.0° | 179.7° |
| C44 | S | C47 | H58 | 179.5° | 180.0° |
| C47 | S | C44 | C43 | 177.7° | 180.0° |
| C47 | S | C44 | C45 | 0.7° | 0.2° |
| S | C47 | N8 | H58 | 180.0° | 180.0° |
| S | C47 | N8 | C45 | 0.2° | 0.3° |
| C44 | C43 | C40 | C39 | 179.5° | 179.7° |
| C43 | C44 | C45 | N8 | 177.4° | 179.8° |
| C43 | C44 | C45 | C46 | 2.9° | 0.1° |
| C44 | C43 | C42 | H55 | 0.6° | 0.1° |
| C44 | C43 | C40 | H56 | 0.5° | 0.1° |
| C43 | C40 | C39 | H56 | 180.0° | 179.7° |
| C40 | C43 | C44 | C45 | 29.6° | 50.8° |
| C40 | C43 | C42 | H55 | 179.4° | 180.0° |
| C43 | C40 | C39 | H57 | 179.3° | 179.7° |
| C14 | C6 | C5 | N2 | 175.8° | 180.0° |
| C14 | C6 | C5 | N1 | 174.2° | 180.0° |
| C14 | C6 | N2 | C7 | 55.8° | 25.3° |
| C14 | C6 | N2 | H6 | 124.2° | 154.7° |
| C6 | C5 | N1 | C2 | 113.9° | 119.7° |
| C6 | C5 | N1 | C4 | 49.4° | 116.4° |
| C5 | C6 | N2 | C7 | 120.1° | 154.7° |
| C5 | C6 | C14 | H5 | 179.6° | 180.0° |
| C5 | C6 | N2 | H6 | 59.9° | 25.3° |
| C6 | C5 | C51 | H11 | 178.4° | 179.7° |
| N1 | C5 | C6 | N2 | 1.6° | 0.0° |
| C5 | N1 | C2 | C4 | 164.5° | 123.9° |
| C5 | N1 | C4 | C3 | 144.6° | 176.8° |
| C5 | N1 | C2 | C1 | 145.5° | 176.8° |
| N1 | C5 | C51 | H11 | 5.8° | 0.1° |
| C5 | N1 | C2 | H12 | 25.3° | 56.8° |
| C5 | N1 | C2 | H13 | 94.4° | 63.2° |
| C5 | N1 | C4 | H16 | 95.2° | 63.3° |
| C5 | N1 | C4 | H17 | 24.5° | 56.8° |
| C44 | C45 | N8 | C47 | 0.3° | 0.5° |
| C44 | C45 | N8 | C46 | 179.7° | 179.9° |
| C44 | C45 | C46 | H59 | 179.7° | 93.5° |
| C44 | C45 | C46 | H60 | 60.3° | 146.5° |
| C44 | C45 | C46 | H61 | 59.7° | 26.5° |
| C6 | N2 | C7 | O1 | 14.9° | 3.4° |
| C6 | N2 | C7 | H6 | 180.0° | 180.0° |
| C6 | N2 | C7 | C8 | 167.5° | 176.6° |
| N2 | C6 | C14 | H5 | 4.5° | 0.0° |
| C2 | N1 | C4 | C3 | 50.9° | 59.3° |
| N1 | C2 | C1 | H12 | 120.1° | 120.0° |
| N1 | C2 | C1 | H13 | 120.2° | 120.0° |
| N1 | C2 | C1 | N | 54.3° | 58.4° |
| N1 | C2 | H12 | H13 | 119.5° | 120.0° |
| N1 | C2 | C1 | H14 | 65.9° | 61.6° |
| N1 | C2 | C1 | H15 | 174.5° | 178.3° |
| C2 | N1 | C4 | H16 | 69.2° | 60.7° |
| C2 | N1 | C4 | H17 | 171.1° | 179.3° |
| N1 | C4 | C3 | H16 | 120.1° | 119.9° |
| N1 | C4 | C3 | H17 | 120.1° | 120.0° |
| N1 | C4 | C3 | N | 56.1° | 58.4° |
| C4 | N1 | C2 | C1 | 50.0° | 59.3° |
| C4 | N1 | C2 | H12 | 170.2° | 179.3° |
| C4 | N1 | C2 | H13 | 70.1° | 60.7° |
| N1 | C4 | H16 | H17 | 119.6° | 120.1° |
| N1 | C4 | C3 | H18 | 176.3° | 178.3° |
| N1 | C4 | C3 | H19 | 64.0° | 61.6° |
| C47 | N8 | C45 | C46 | 179.4° | 179.6° |
| C4 | C3 | N | H18 | 120.2° | 120.0° |
| C4 | C3 | N | H19 | 120.2° | 119.9° |
| C4 | C3 | N | C1 | 61.9° | 59.3° |
| C4 | C3 | N | C | 176.2° | 176.8° |
| C3 | C4 | H16 | H17 | 119.6° | 120.1° |
| C4 | C3 | H18 | H19 | 119.5° | 120.0° |
| C3 | N | C1 | C2 | 60.8° | 59.3° |
| C3 | N | C1 | C | 121.9° | 123.8° |
| C3 | N | C1 | H14 | 59.3° | 60.6° |
| C3 | N | C1 | H15 | 179.0° | 179.3° |
| N | C3 | C4 | H16 | 64.0° | 61.5° |
| N | C3 | C4 | H17 | 176.3° | 178.4° |
| N | C3 | H18 | H19 | 119.4° | 120.1° |
| C3 | N | C | H21 | 180.0° | 176.2° |
| C3 | N | C | H22 | 60.0° | 56.3° |
| C3 | N | C | H23 | 60.0° | 63.8° |
| C2 | C1 | N | H14 | 120.2° | 120.0° |
| C2 | C1 | N | H15 | 120.2° | 120.0° |
| C2 | C1 | N | C | 177.3° | 176.9° |
| C1 | C2 | H12 | H13 | 119.5° | 120.0° |
| C2 | C1 | H14 | H15 | 119.4° | 120.1° |
| N | C1 | C2 | H12 | 174.5° | 178.4° |
| N | C1 | C2 | H13 | 65.9° | 61.6° |
| N | C1 | H14 | H15 | 119.4° | 120.0° |
| C1 | N | C3 | H18 | 177.9° | 179.3° |
| C1 | N | C3 | H19 | 58.3° | 60.6° |
| C1 | N | C | H21 | 58.9° | 60.0° |
| C1 | N | C | H22 | 178.9° | 180.0° |
| C1 | N | C | H23 | 61.1° | 60.0° |
| O1 | C7 | N2 | C8 | 177.6° | 179.9° |
| O1 | C7 | C8 | C12 | 52.0° | 7.8° |
| O1 | C7 | C8 | C9 | 128.5° | 172.4° |
| O1 | C7 | N2 | H6 | 165.1° | 176.6° |
| C45 | N8 | C47 | H58 | 179.7° | 179.7° |
| N8 | C45 | C46 | H59 | 0.0° | 86.4° |
| N8 | C45 | C46 | H60 | 120.0° | 33.6° |
| N8 | C45 | C46 | H61 | 120.0° | 153.7° |
| C45 | C46 | H59 | H60 | 120.0° | 120.1° |
| C45 | C46 | H59 | H61 | 120.0° | 119.9° |
| C45 | C46 | H60 | H61 | 120.0° | 120.0° |
| C | N | C1 | H14 | 62.5° | 63.1° |
| C | N | C1 | H15 | 57.1° | 56.9° |
| C | N | C3 | H18 | 56.0° | 56.9° |
| C | N | C3 | H19 | 63.6° | 63.2° |
| N | C | H21 | H22 | 120.0° | 120.0° |
| N | C | H21 | H23 | 120.0° | 120.0° |
| N | C | H22 | H23 | 120.0° | 120.1° |
| N2 | C7 | C8 | C12 | 125.7° | 172.2° |
| N2 | C7 | C8 | C9 | 53.8° | 7.6° |
| C7 | C8 | C12 | C13 | 2.7° | 0.1° |
| C7 | C8 | C12 | C9 | 179.5° | 179.8° |
| C7 | C8 | C12 | C11 | 178.9° | 180.0° |
| C7 | C8 | C9 | N3 | 178.8° | 179.8° |
| C8 | C7 | N2 | H6 | 12.6° | 3.4° |
| C7 | C8 | C9 | H9 | 1.2° | 0.1° |
| F | C13 | F1 | F2 | 115.1° | 120.0° |
| F | C13 | F1 | C12 | 121.2° | 119.9° |
| F | C13 | F2 | C12 | 126.7° | 120.0° |
| F | C13 | C12 | C8 | 67.2° | 59.6° |
| F | C13 | C12 | C11 | 111.2° | 120.3° |
| F1 | C13 | F2 | C12 | 124.2° | 120.0° |
| F1 | C13 | C12 | C8 | 47.8° | 60.4° |
| F1 | C13 | C12 | C11 | 133.8° | 119.7° |
| F2 | C13 | C12 | C8 | 167.5° | 179.6° |
| F2 | C13 | C12 | C11 | 14.1° | 0.3° |
| C13 | C12 | C8 | C11 | 178.4° | 179.9° |
| C13 | C12 | C8 | C9 | 177.9° | 179.8° |
| C13 | C12 | C11 | C10 | 178.1° | 180.0° |
| C13 | C12 | C11 | H8 | 1.9° | 0.1° |
| C12 | C8 | C9 | N3 | 0.7° | 0.4° |
| C8 | C12 | C11 | C10 | 0.4° | 0.1° |
| C8 | C12 | C11 | H8 | 179.7° | 180.0° |
| C12 | C8 | C9 | H9 | 179.3° | 179.7° |
| C9 | C8 | C12 | C11 | 0.6° | 0.2° |
| C8 | C9 | N3 | H9 | 180.0° | 179.9° |
| C8 | C9 | N3 | C10 | 0.7° | 0.5° |
| C8 | C9 | N3 | H62 | 179.4° | 179.8° |
| C12 | C11 | C10 | H8 | 180.0° | 179.9° |
| C12 | C11 | C10 | N3 | 0.3° | 0.0° |
| C12 | C11 | C10 | O | 178.6° | 180.0° |
| C9 | N3 | C10 | C11 | 0.4° | 0.2° |
| C9 | N3 | C10 | H62 | 180.0° | 179.8° |
| C9 | N3 | C10 | O | 178.5° | 179.8° |
| C11 | C10 | N3 | O | 179.0° | 180.0° |
| C11 | C10 | N3 | H62 | 179.6° | 180.0° |
| N3 | C10 | C11 | H8 | 179.7° | 179.9° |
| C10 | N3 | C9 | H9 | 179.3° | 179.7° |
| O | C10 | C11 | H8 | 1.4° | 0.1° |
| O | C10 | N3 | H62 | 1.4° | 0.0° |
| H1 | C18 | C17 | H2 | 0.9° | 0.1° |
| H3 | C48 | C49 | H4 | 0.4° | 0.0° |
| H9 | C9 | N3 | H62 | 0.6° | 0.1° |
| H10 | C50 | C51 | H11 | 0.5° | 0.0° |
| H12 | C2 | C1 | H14 | 54.2° | 58.4° |
| H12 | C2 | C1 | H15 | 65.3° | 61.6° |
| H13 | C2 | C1 | H14 | 173.9° | 178.4° |
| H13 | C2 | C1 | H15 | 54.3° | 58.3° |
| H16 | C4 | C3 | H18 | 56.2° | 58.4° |
| H16 | C4 | C3 | H19 | 175.9° | 178.5° |
| H17 | C4 | C3 | H18 | 63.5° | 61.7° |
| H17 | C4 | C3 | H19 | 56.1° | 58.4° |
| H21 | C | H22 | H23 | 120.0° | 120.0° |
| H24 | N4 | C21 | H25 | 34.3° | 120.0° |
| H24 | N4 | C21 | H26 | 153.6° | 120.0° |
| H25 | C21 | C22 | H27 | 163.1° | 180.0° |
| H25 | C21 | C22 | H28 | 78.0° | 60.0° |
| H26 | C21 | C22 | H27 | 43.8° | 60.0° |
| H26 | C21 | C22 | H28 | 162.6° | 180.0° |
| H27 | C22 | C23 | H29 | 78.8° | 180.0° |
| H27 | C22 | C23 | H30 | 162.5° | 60.0° |
| H28 | C22 | C23 | H29 | 40.1° | 59.9° |
| H28 | C22 | C23 | H30 | 78.6° | NaN° |
| H29 | C23 | C24 | H31 | 170.7° | 180.0° |
| H29 | C23 | C24 | H32 | 70.3° | 60.0° |
| H30 | C23 | C24 | H31 | 70.6° | 60.0° |
| H30 | C23 | C24 | H32 | 48.4° | 180.0° |
| H33 | N5 | C26 | H34 | 161.9° | 145.0° |
| H35 | C30 | H36 | H37 | 120.0° | 120.0° |
| H38 | C29 | H39 | H40 | 120.0° | 120.0° |
| H41 | C28 | H42 | H43 | 120.0° | 120.0° |
| H44 | C35 | C34 | H45 | 28.2° | 100.0° |
| H44 | C35 | C34 | H46 | 149.9° | 23.2° |
| H45 | C34 | C33 | H47 | 85.0° | 35.9° |
| H46 | C34 | C33 | H47 | 36.8° | 159.1° |
| H47 | C33 | O2 | H48 | 56.7° | 62.5° |
| H47 | C33 | C32 | H49 | 35.2° | 159.8° |
| H47 | C33 | C32 | H50 | 87.0° | 37.5° |
| H51 | N7 | C37 | H52 | 172.2° | 120.0° |
| H51 | N7 | C37 | H53 | 52.8° | 120.0° |
| H54 | C41 | C42 | H55 | 0.3° | 0.1° |
| H56 | C40 | C39 | H57 | 0.7° | 0.0° |
| H59 | C46 | H60 | H61 | 120.0° | 120.0° |
