KOO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C48 | doub | 1.22Å | 1.22Å | |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.40Å | 1.39Å | Aromatic |
| C48 | C40 | sing | 1.48Å | 1.48Å | |
| C48 | N5 | sing | 1.34Å | 1.37Å | |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | doub | 1.39Å | 1.38Å | Aromatic |
| N5 | C43 | sing | 1.46Å | 1.46Å | |
| N5 | C42 | sing | 1.47Å | 1.47Å | |
| C43 | C47 | sing | 1.53Å | 1.54Å | |
| C43 | C44 | sing | 1.51Å | 1.52Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C46 | C45 | sing | 1.51Å | 1.50Å | |
| C37 | C36 | doub | 1.40Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.51Å | 1.50Å | |
| C41 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C44 | O4 | doub | 1.21Å | 1.23Å | |
| C44 | N6 | sing | 1.34Å | 1.38Å | |
| C36 | C35 | sing | 1.43Å | 1.44Å | |
| C45 | N6 | sing | 1.34Å | 1.38Å | |
| C45 | O3 | doub | 1.21Å | 1.23Å | |
| C35 | C34 | trip | 1.17Å | 1.19Å | |
| C34 | C33 | sing | 1.47Å | 1.47Å | |
| C23 | N3 | sing | 1.31Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.34Å | 1.34Å | Aromatic |
| N3 | C22 | doub | 1.30Å | 1.31Å | Aromatic |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C24 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C22 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C22 | C21 | sing | 1.48Å | 1.47Å | |
| C30 | N4 | sing | 1.47Å | 1.46Å | |
| C25 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | N4 | sing | 1.46Å | 1.47Å | |
| C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| N4 | C29 | sing | 1.35Å | 1.35Å | |
| C26 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.51Å | |
| C29 | O6 | doub | 1.21Å | 1.22Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | N2 | sing | 1.40Å | 1.43Å | |
| C27 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | C17 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | sing | 1.54Å | 1.53Å | |
| C15 | C14 | sing | 1.55Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | O7 | doub | 1.21Å | 1.22Å | |
| C16 | N1 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.55Å | 1.50Å | |
| N1 | C13 | sing | 1.47Å | 1.47Å | |
| N1 | C12 | sing | 1.35Å | 1.34Å | |
| O8 | C12 | doub | 1.21Å | 1.22Å | |
| C12 | C7 | sing | 1.51Å | 1.53Å | |
| S | C4 | sing | 1.76Å | 1.74Å | Aromatic |
| S | C5 | sing | 1.76Å | 1.74Å | Aromatic |
| O9 | C6 | doub | 1.22Å | 1.23Å | |
| F | C | sing | 1.40Å | 1.33Å | |
| C50 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C50 | C51 | doub | 1.37Å | 1.38Å | Aromatic |
| C7 | N | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C51 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.47Å | 1.48Å | |
| C6 | N | sing | 1.35Å | 1.34Å | |
| C5 | C49 | doub | 1.34Å | 1.37Å | Aromatic |
| C11 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| O2 | P | doub | 1.48Å | 1.49Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C3 | C49 | sing | 1.40Å | 1.45Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.40Å | Aromatic |
| C | F1 | sing | 1.40Å | 1.34Å | |
| C | P | sing | 1.82Å | 1.85Å | |
| P | O | sing | 1.61Å | 1.54Å | |
| P | O1 | sing | 1.61Å | 1.54Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C49 | H17 | sing | 1.08Å | 1.08Å | |
| C50 | H18 | sing | 1.08Å | 1.08Å | |
| C51 | H19 | sing | 1.08Å | 1.08Å | |
| O1 | H20 | sing | 0.97Å | 0.95Å | |
| O | H21 | sing | 0.97Å | 0.95Å | |
| N | H22 | sing | 0.97Å | 1.00Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | 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 | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C42 | H44 | sing | 1.09Å | 1.10Å | |
| C42 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.08Å | 1.08Å | |
| C38 | H47 | sing | 1.08Å | 1.08Å | |
| C37 | H48 | sing | 1.08Å | 1.08Å | |
| C43 | H49 | sing | 1.09Å | 1.10Å | |
| C47 | H50 | sing | 1.09Å | 1.10Å | |
| C47 | H51 | sing | 1.09Å | 1.10Å | |
| C46 | H52 | sing | 1.09Å | 1.10Å | |
| C46 | H53 | sing | 1.09Å | 1.10Å | |
| N6 | H54 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C48 | C40 | 128.4° | 124.9° |
| O5 | C48 | N5 | 125.1° | 124.9° |
| C38 | C39 | C40 | 119.0° | 120.2° |
| C39 | C38 | C37 | 120.7° | 120.5° |
| C38 | C39 | H46 | 120.5° | 119.9° |
| C39 | C38 | H47 | 119.7° | 119.8° |
| C39 | C40 | C48 | 130.7° | 132.3° |
| C39 | C40 | C41 | 120.8° | 119.4° |
| C40 | C39 | H46 | 120.5° | 119.9° |
| C40 | C48 | N5 | 106.4° | 110.3° |
| C48 | C40 | C41 | 108.4° | 108.3° |
| C48 | N5 | C43 | 123.0° | 125.7° |
| C48 | N5 | C42 | 113.3° | 108.7° |
| C38 | C37 | C36 | 120.4° | 120.0° |
| C37 | C38 | H47 | 119.6° | 119.7° |
| C38 | C37 | H48 | 119.8° | 120.0° |
| C40 | C41 | C42 | 110.0° | 106.5° |
| C40 | C41 | C36 | 120.3° | 120.3° |
| C43 | N5 | C42 | 123.8° | 125.6° |
| N5 | C43 | C47 | 114.4° | 109.5° |
| N5 | C43 | C44 | 110.7° | 109.5° |
| N5 | C43 | H49 | 106.8° | 109.6° |
| N5 | C42 | C41 | 101.9° | 106.2° |
| N5 | C42 | H44 | 111.3° | 110.1° |
| N5 | C42 | H45 | 111.3° | 110.2° |
| C47 | C43 | C44 | 112.3° | 109.1° |
| C43 | C47 | C46 | 109.2° | 108.6° |
| C47 | C43 | H49 | 105.9° | 109.5° |
| C43 | C47 | H50 | 109.5° | 109.6° |
| C43 | C47 | H51 | 109.6° | 109.6° |
| C43 | C44 | O4 | 122.0° | 119.4° |
| C43 | C44 | N6 | 117.3° | 121.3° |
| C44 | C43 | H49 | 106.1° | 109.6° |
| C47 | C46 | C45 | 114.5° | 109.2° |
| C46 | C47 | H50 | 109.6° | 109.6° |
| C46 | C47 | H51 | 109.5° | 109.7° |
| C47 | C46 | H52 | 108.2° | 109.6° |
| C47 | C46 | H53 | 108.2° | 109.5° |
| C46 | C45 | N6 | 117.1° | 121.3° |
| C46 | C45 | O3 | 122.7° | 119.4° |
| C45 | C46 | H52 | 108.2° | 109.5° |
| C45 | C46 | H53 | 108.2° | 109.5° |
| C37 | C36 | C41 | 118.8° | 119.6° |
| C37 | C36 | C35 | 120.6° | 120.2° |
| C36 | C37 | H48 | 119.8° | 120.0° |
| C42 | C41 | C36 | 129.7° | 133.2° |
| C41 | C42 | H44 | 111.4° | 110.1° |
| C41 | C42 | H45 | 111.4° | 110.1° |
| C41 | C36 | C35 | 120.6° | 120.2° |
| O4 | C44 | N6 | 120.7° | 119.3° |
| C44 | N6 | C45 | 127.0° | 122.6° |
| C44 | N6 | H54 | 116.5° | 118.7° |
| C36 | C35 | C34 | 169.7° | 180.0° |
| N6 | C45 | O3 | 120.2° | 119.3° |
| C45 | N6 | H54 | 116.5° | 118.7° |
| C35 | C34 | C33 | 174.5° | 180.0° |
| C34 | C33 | C32 | 115.0° | 109.4° |
| C34 | C33 | H42 | 108.1° | 109.5° |
| C34 | C33 | H43 | 108.1° | 109.5° |
| N3 | C23 | C24 | 116.2° | 115.9° |
| C23 | N3 | C22 | 110.2° | 117.0° |
| N3 | C23 | H30 | 121.9° | 122.0° |
| C23 | C24 | S1 | 110.0° | 108.2° |
| C23 | C24 | H29 | 125.0° | 125.9° |
| C24 | C23 | H30 | 121.9° | 122.1° |
| N3 | C22 | S1 | 114.2° | 109.1° |
| N3 | C22 | C21 | 123.4° | 125.4° |
| C33 | C32 | C31 | 112.9° | 109.5° |
| C33 | C32 | H40 | 108.6° | 109.5° |
| C33 | C32 | H41 | 108.6° | 109.5° |
| C32 | C33 | H42 | 108.1° | 109.4° |
| C32 | C33 | H43 | 108.1° | 109.4° |
| C24 | S1 | C22 | 89.4° | 89.8° |
| S1 | C24 | H29 | 125.0° | 125.9° |
| C32 | C31 | N4 | 113.9° | 109.5° |
| C32 | C31 | H38 | 108.4° | 109.5° |
| C32 | C31 | H39 | 108.3° | 109.5° |
| C31 | C32 | H40 | 108.6° | 109.5° |
| C31 | C32 | H41 | 108.6° | 109.4° |
| S1 | C22 | C21 | 122.1° | 125.5° |
| C22 | C21 | C25 | 119.4° | 120.0° |
| C22 | C21 | C20 | 121.7° | 120.1° |
| C30 | N4 | C31 | 117.3° | 120.0° |
| C30 | N4 | C29 | 120.5° | 120.0° |
| N4 | C30 | H35 | 109.5° | 109.4° |
| N4 | C30 | H36 | 109.5° | 109.4° |
| N4 | C30 | H37 | 109.5° | 109.4° |
| C21 | C25 | C26 | 120.8° | 119.9° |
| C25 | C21 | C20 | 118.9° | 119.9° |
| C21 | C25 | H28 | 119.6° | 120.1° |
| C25 | C26 | C18 | 120.2° | 120.1° |
| C25 | C26 | H27 | 119.9° | 120.0° |
| C26 | C25 | H28 | 119.6° | 120.0° |
| C31 | N4 | C29 | 122.0° | 120.0° |
| N4 | C31 | H38 | 108.4° | 109.5° |
| N4 | C31 | H39 | 108.4° | 109.5° |
| C21 | C20 | C19 | 120.5° | 119.9° |
| C21 | C20 | H16 | 119.8° | 120.0° |
| N4 | C29 | C28 | 117.6° | 120.0° |
| N4 | C29 | O6 | 121.3° | 120.0° |
| C26 | C18 | C19 | 119.3° | 120.2° |
| C26 | C18 | N2 | 119.7° | 119.9° |
| C18 | C26 | H27 | 119.9° | 120.0° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C20 | C19 | H15 | 119.9° | 120.0° |
| C19 | C20 | H16 | 119.7° | 120.1° |
| C28 | C29 | O6 | 121.0° | 120.0° |
| C29 | C28 | C27 | 112.8° | 109.5° |
| C29 | C28 | H33 | 108.7° | 109.5° |
| C29 | C28 | H34 | 108.6° | 109.4° |
| C28 | C27 | N2 | 112.2° | 109.4° |
| C28 | C27 | H31 | 108.8° | 109.5° |
| C28 | C27 | H32 | 108.8° | 109.5° |
| C27 | C28 | H33 | 108.6° | 109.5° |
| C27 | C28 | H34 | 108.6° | 109.5° |
| C19 | C18 | N2 | 120.8° | 119.9° |
| C18 | C19 | H15 | 119.9° | 120.0° |
| C18 | N2 | C27 | 117.3° | 120.0° |
| C18 | N2 | C17 | 122.2° | 120.0° |
| C27 | N2 | C17 | 120.5° | 120.0° |
| N2 | C27 | H31 | 108.8° | 109.5° |
| N2 | C27 | H32 | 108.8° | 109.5° |
| N2 | C17 | C16 | 118.5° | 120.0° |
| N2 | C17 | O7 | 121.2° | 120.0° |
| C16 | C15 | C14 | 104.9° | 102.9° |
| C15 | C16 | C17 | 111.4° | 109.9° |
| C15 | C16 | N1 | 103.6° | 107.3° |
| C16 | C15 | H12 | 110.6° | 110.8° |
| C16 | C15 | H13 | 110.6° | 110.7° |
| C15 | C16 | H14 | 109.2° | 109.9° |
| C15 | C14 | C13 | 104.3° | 101.6° |
| C15 | C14 | H10 | 110.8° | 111.0° |
| C15 | C14 | H11 | 110.8° | 111.0° |
| C14 | C15 | H12 | 110.6° | 110.7° |
| C14 | C15 | H13 | 110.6° | 110.7° |
| C16 | C17 | O7 | 120.3° | 120.0° |
| C17 | C16 | N1 | 113.2° | 109.9° |
| C17 | C16 | H14 | 109.2° | 110.0° |
| C16 | N1 | C13 | 112.1° | 108.6° |
| C16 | N1 | C12 | 119.9° | 125.6° |
| N1 | C16 | H14 | 110.1° | 109.8° |
| C14 | C13 | N1 | 102.8° | 104.9° |
| C14 | C13 | H8 | 111.1° | 110.4° |
| C14 | C13 | H9 | 111.1° | 110.4° |
| C13 | C14 | H10 | 110.8° | 111.0° |
| C13 | C14 | H11 | 110.8° | 111.0° |
| C13 | N1 | C12 | 128.0° | 125.8° |
| N1 | C13 | H8 | 111.1° | 110.4° |
| N1 | C13 | H9 | 111.1° | 110.4° |
| N1 | C12 | O8 | 121.4° | 120.0° |
| N1 | C12 | C7 | 119.0° | 120.0° |
| O8 | C12 | C7 | 119.6° | 120.0° |
| C12 | C7 | N | 108.0° | 109.5° |
| C12 | C7 | C8 | 113.9° | 109.5° |
| C12 | C7 | H23 | 107.0° | 109.5° |
| C4 | S | C5 | 91.3° | 91.6° |
| S | C4 | C50 | 126.2° | 130.6° |
| S | C4 | C3 | 112.6° | 109.5° |
| S | C5 | C6 | 114.4° | 124.6° |
| S | C5 | C49 | 112.0° | 110.7° |
| O9 | C6 | C5 | 119.8° | 120.0° |
| O9 | C6 | N | 123.1° | 120.0° |
| F | C | C1 | 105.9° | 109.5° |
| F | C | F1 | 103.2° | 109.5° |
| F | C | P | 106.3° | 109.5° |
| C4 | C50 | C51 | 119.2° | 120.1° |
| C50 | C4 | C3 | 121.0° | 119.9° |
| C4 | C50 | H18 | 120.4° | 119.9° |
| C50 | C51 | C1 | 121.1° | 120.2° |
| C51 | C50 | H18 | 120.4° | 119.9° |
| C50 | C51 | H19 | 119.5° | 119.8° |
| N | C7 | C8 | 112.9° | 109.5° |
| C7 | N | C6 | 120.5° | 120.0° |
| C7 | N | H22 | 119.8° | 120.0° |
| N | C7 | H23 | 108.0° | 109.5° |
| C7 | C8 | C11 | 111.7° | 109.4° |
| C7 | C8 | C9 | 108.1° | 109.5° |
| C7 | C8 | C10 | 110.7° | 109.5° |
| C8 | C7 | H23 | 106.8° | 109.5° |
| C4 | C3 | C49 | 110.2° | 112.6° |
| C4 | C3 | C2 | 118.0° | 118.5° |
| C51 | C1 | C | 119.8° | 119.6° |
| C51 | C1 | C2 | 119.2° | 120.7° |
| C1 | C51 | H19 | 119.5° | 120.0° |
| C5 | C6 | N | 117.1° | 120.0° |
| C6 | C5 | C49 | 133.4° | 124.6° |
| C6 | N | H22 | 119.7° | 120.0° |
| C5 | C49 | C3 | 113.9° | 115.6° |
| C5 | C49 | H17 | 123.1° | 122.3° |
| C11 | C8 | C9 | 108.9° | 109.5° |
| C11 | C8 | C10 | 108.4° | 109.5° |
| C8 | C11 | H5 | 109.5° | 109.5° |
| C8 | C11 | H6 | 109.5° | 109.4° |
| C8 | C11 | H7 | 109.5° | 109.5° |
| C9 | C8 | C10 | 108.9° | 109.5° |
| C8 | C9 | H24 | 109.5° | 109.4° |
| C8 | C9 | H25 | 109.5° | 109.5° |
| C8 | C9 | H26 | 109.4° | 109.4° |
| O2 | P | C | 110.8° | 109.4° |
| O2 | P | O | 115.0° | 109.5° |
| O2 | P | O1 | 112.8° | 109.5° |
| C | C1 | C2 | 120.4° | 119.7° |
| C1 | C | F1 | 110.7° | 109.5° |
| C1 | C | P | 114.6° | 109.5° |
| C1 | C2 | C3 | 121.3° | 120.5° |
| C1 | C2 | H1 | 119.4° | 119.7° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C8 | C10 | H3 | 109.5° | 109.4° |
| C8 | C10 | H4 | 109.5° | 109.4° |
| C49 | C3 | C2 | 131.5° | 128.9° |
| C3 | C49 | H17 | 123.0° | 122.2° |
| C3 | C2 | H1 | 119.4° | 119.7° |
| F1 | C | P | 114.9° | 109.5° |
| C | P | O | 104.0° | 109.5° |
| C | P | O1 | 107.8° | 109.5° |
| O | P | O1 | 105.9° | 109.5° |
| P | O | H21 | 109.5° | 114.0° |
| P | O1 | H20 | 109.5° | 114.0° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H4 | 109.5° | 109.4° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 110.3° |
| H10 | C14 | H11 | 109.5° | 110.9° |
| H12 | C15 | H13 | 109.5° | 110.8° |
| H24 | C9 | H25 | 109.5° | 109.5° |
| H24 | C9 | H26 | 109.5° | 109.5° |
| H25 | C9 | H26 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.5° |
| H35 | C30 | H37 | 109.5° | 109.6° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H38 | C31 | H39 | 109.5° | 109.4° |
| H40 | C32 | H41 | 109.5° | 109.5° |
| H42 | C33 | H43 | 109.5° | 109.5° |
| H44 | C42 | H45 | 109.4° | 110.1° |
| H50 | C47 | H51 | 109.4° | 109.8° |
| H52 | C46 | H53 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C48 | C40 | C39 | 0.8° | 0.1° |
| O5 | C48 | C40 | N5 | 178.3° | 179.9° |
| O5 | C48 | C40 | C41 | 178.1° | 179.9° |
| O5 | C48 | N5 | C43 | 0.7° | 0.1° |
| O5 | C48 | N5 | C42 | 179.0° | 179.9° |
| C38 | C39 | C40 | H46 | 180.0° | 179.6° |
| C38 | C39 | C40 | C48 | 178.9° | 179.9° |
| C39 | C38 | C37 | H47 | 180.0° | 179.6° |
| C38 | C39 | C40 | C41 | 0.1° | 0.1° |
| C39 | C38 | C37 | C36 | 0.1° | 0.6° |
| C39 | C38 | C37 | H48 | 179.9° | 180.0° |
| C39 | C40 | C48 | C41 | 178.9° | 180.0° |
| C39 | C40 | C48 | N5 | 179.1° | 180.0° |
| C40 | C39 | C38 | C37 | 0.2° | 0.4° |
| C39 | C40 | C41 | C42 | 180.0° | 180.0° |
| C39 | C40 | C41 | C36 | 0.3° | 0.0° |
| C40 | C39 | C38 | H47 | 179.8° | 180.0° |
| C40 | C48 | N5 | C43 | 179.0° | 180.0° |
| C40 | C48 | N5 | C42 | 0.7° | 0.0° |
| C48 | C40 | C41 | C42 | 0.9° | 0.0° |
| C48 | C40 | C41 | C36 | 178.8° | 179.9° |
| C48 | C40 | C39 | H46 | 1.1° | 0.3° |
| N5 | C48 | C40 | C41 | 0.2° | 0.0° |
| C48 | N5 | C43 | C42 | 179.7° | 180.0° |
| C48 | N5 | C43 | C47 | 107.8° | 59.9° |
| C48 | N5 | C43 | C44 | 124.1° | 59.7° |
| C48 | N5 | C42 | C41 | 1.2° | 0.0° |
| C48 | N5 | C42 | H44 | 117.6° | 119.1° |
| C48 | N5 | C42 | H45 | 120.0° | 119.2° |
| C48 | N5 | C43 | H49 | 9.0° | 179.9° |
| C38 | C37 | C36 | H48 | 180.0° | 179.4° |
| C38 | C37 | C36 | C41 | 0.4° | 0.6° |
| C38 | C37 | C36 | C35 | 177.0° | 179.7° |
| C37 | C38 | C39 | H46 | 179.8° | 180.0° |
| C40 | C41 | C42 | N5 | 1.3° | 0.0° |
| C40 | C41 | C36 | C37 | 0.5° | 0.3° |
| C40 | C41 | C42 | C36 | 179.7° | 180.0° |
| C40 | C41 | C36 | C35 | 176.9° | 180.0° |
| C40 | C41 | C42 | H44 | 117.5° | 119.2° |
| C40 | C41 | C42 | H45 | 120.1° | 119.2° |
| C41 | C40 | C39 | H46 | 179.9° | 179.7° |
| N5 | C43 | C47 | C44 | 127.3° | 119.9° |
| N5 | C43 | C47 | H49 | 117.3° | 120.2° |
| N5 | C43 | C44 | H49 | 115.5° | 120.2° |
| N5 | C43 | C47 | C46 | 178.6° | 175.5° |
| C43 | N5 | C42 | C41 | 178.5° | 180.0° |
| N5 | C43 | C44 | O4 | 23.7° | 31.0° |
| N5 | C43 | C44 | N6 | 158.0° | 148.9° |
| C43 | N5 | C42 | H44 | 62.7° | 60.9° |
| C43 | N5 | C42 | H45 | 59.7° | 60.8° |
| N5 | C43 | C47 | H50 | 58.6° | 55.8° |
| N5 | C43 | C47 | H51 | 61.4° | 64.8° |
| C42 | N5 | C43 | C47 | 72.5° | 120.0° |
| C42 | N5 | C43 | C44 | 55.6° | 120.3° |
| N5 | C42 | C41 | H44 | 118.8° | 119.1° |
| N5 | C42 | C41 | H45 | 118.8° | 119.3° |
| N5 | C42 | C41 | C36 | 178.4° | 180.0° |
| N5 | C42 | H44 | H45 | 123.5° | 121.7° |
| C42 | N5 | C43 | H49 | 170.7° | 0.1° |
| C47 | C43 | C44 | H49 | 115.2° | 119.9° |
| C43 | C47 | C46 | H50 | 120.0° | 119.7° |
| C43 | C47 | C46 | H51 | 120.0° | 119.7° |
| C43 | C47 | C46 | C45 | 49.8° | 55.6° |
| C47 | C43 | C44 | O4 | 152.9° | 150.9° |
| C47 | C43 | C44 | N6 | 28.8° | 29.1° |
| C43 | C47 | H50 | H51 | 120.1° | 120.4° |
| C43 | C47 | C46 | H52 | 170.5° | 175.5° |
| C43 | C47 | C46 | H53 | 71.0° | 64.3° |
| C44 | C43 | C47 | C46 | 51.4° | 55.6° |
| C43 | C44 | O4 | N6 | 178.2° | 180.0° |
| C43 | C44 | N6 | C45 | 1.4° | 0.5° |
| C44 | C43 | C47 | H50 | 68.6° | 64.1° |
| C44 | C43 | C47 | H51 | 171.3° | 175.4° |
| C43 | C44 | N6 | H54 | 178.6° | 179.4° |
| C47 | C46 | C45 | H52 | 120.8° | 119.9° |
| C47 | C46 | C45 | H53 | 120.8° | 119.9° |
| C47 | C46 | C45 | N6 | 24.4° | 29.1° |
| C47 | C46 | C45 | O3 | 156.0° | 150.9° |
| C46 | C47 | C43 | H49 | 64.0° | 64.3° |
| C46 | C47 | H50 | H51 | 120.1° | 120.5° |
| C47 | C46 | H52 | H53 | 117.7° | 120.2° |
| C46 | C45 | N6 | C44 | 1.2° | 0.5° |
| C46 | C45 | N6 | O3 | 179.6° | 180.0° |
| C45 | C46 | C47 | H50 | 70.2° | 64.1° |
| C45 | C46 | C47 | H51 | 169.7° | 175.3° |
| C45 | C46 | H52 | H53 | 117.7° | 120.1° |
| C46 | C45 | N6 | H54 | 178.8° | 179.5° |
| C37 | C36 | C41 | C42 | 179.8° | 179.7° |
| C37 | C36 | C41 | C35 | 177.4° | 179.6° |
| C37 | C36 | C35 | C34 | 165.7° | 56.6° |
| C36 | C37 | C38 | H47 | 179.9° | 179.7° |
| C42 | C41 | C36 | C35 | 2.8° | 0.1° |
| C41 | C42 | H44 | H45 | 123.6° | 121.6° |
| C41 | C36 | C35 | C34 | 11.6° | 123.8° |
| C36 | C41 | C42 | H44 | 62.8° | 60.8° |
| C36 | C41 | C42 | H45 | 59.6° | 60.8° |
| C41 | C36 | C37 | H48 | 179.6° | 180.0° |
| O4 | C44 | N6 | C45 | 179.7° | 179.5° |
| O4 | C44 | C43 | H49 | 91.9° | 89.2° |
| O4 | C44 | N6 | H54 | 0.3° | 0.6° |
| C44 | N6 | C45 | H54 | 180.0° | 179.9° |
| C44 | N6 | C45 | O3 | 178.4° | 179.5° |
| N6 | C44 | C43 | H49 | 86.4° | 90.8° |
| C36 | C35 | C34 | C33 | 7.3° | 139.6° |
| C35 | C36 | C37 | H48 | 3.0° | 0.4° |
| N6 | C45 | C46 | H52 | 145.2° | 149.0° |
| N6 | C45 | C46 | H53 | 96.3° | 90.9° |
| O3 | C45 | C46 | H52 | 35.2° | 31.0° |
| O3 | C45 | C46 | H53 | 83.3° | 89.2° |
| O3 | C45 | N6 | H54 | 1.6° | 0.6° |
| C35 | C34 | C33 | C32 | 41.9° | 164.2° |
| C35 | C34 | C33 | H42 | 162.7° | 75.8° |
| C35 | C34 | C33 | H43 | 78.9° | 44.2° |
| C34 | C33 | C32 | H42 | 120.8° | 120.0° |
| C34 | C33 | C32 | H43 | 120.8° | 120.0° |
| C34 | C33 | C32 | C31 | 156.6° | 180.0° |
| C34 | C33 | C32 | H40 | 82.9° | 60.0° |
| C34 | C33 | C32 | H41 | 36.1° | 60.0° |
| C34 | C33 | H42 | H43 | 117.5° | 120.1° |
| N3 | C23 | C24 | H30 | 180.0° | 179.6° |
| N3 | C23 | C24 | S1 | 0.4° | 0.2° |
| C23 | N3 | C22 | S1 | 1.3° | 0.3° |
| C23 | N3 | C22 | C21 | 172.8° | 179.8° |
| N3 | C23 | C24 | H29 | 179.6° | 179.8° |
| C24 | C23 | N3 | C22 | 1.1° | 0.4° |
| C23 | C24 | S1 | H29 | 180.0° | 180.0° |
| C23 | C24 | S1 | C22 | 0.3° | 0.0° |
| N3 | C22 | S1 | C24 | 0.9° | 0.2° |
| N3 | C22 | S1 | C21 | 174.2° | 179.8° |
| N3 | C22 | C21 | C25 | 31.0° | 179.7° |
| N3 | C22 | C21 | C20 | 150.7° | 0.2° |
| C22 | N3 | C23 | H30 | 178.9° | 179.9° |
| C33 | C32 | C31 | H40 | 120.5° | 120.0° |
| C33 | C32 | C31 | H41 | 120.5° | 120.0° |
| C33 | C32 | C31 | N4 | 115.5° | 180.0° |
| C33 | C32 | C31 | H38 | 5.2° | 60.0° |
| C33 | C32 | C31 | H39 | 123.8° | 60.0° |
| C33 | C32 | H40 | H41 | 118.4° | 120.0° |
| C32 | C33 | H42 | H43 | 117.5° | 119.9° |
| C24 | S1 | C22 | C21 | 173.2° | 180.0° |
| S1 | C24 | C23 | H30 | 179.6° | 179.8° |
| C32 | C31 | N4 | C30 | 51.8° | 90.0° |
| C32 | C31 | N4 | H38 | 120.7° | 120.0° |
| C32 | C31 | N4 | H39 | 120.6° | 120.0° |
| C32 | C31 | N4 | C29 | 133.6° | 90.0° |
| C32 | C31 | H38 | H39 | 117.9° | 120.0° |
| C31 | C32 | H40 | H41 | 118.4° | 120.0° |
| C31 | C32 | C33 | H42 | 35.7° | 59.9° |
| C31 | C32 | C33 | H43 | 82.7° | 60.0° |
| S1 | C22 | C21 | C25 | 142.6° | 0.1° |
| S1 | C22 | C21 | C20 | 35.7° | 179.9° |
| C22 | S1 | C24 | H29 | 179.7° | 180.0° |
| C22 | C21 | C25 | C20 | 178.3° | 180.0° |
| C22 | C21 | C25 | C26 | 176.2° | 179.7° |
| C22 | C21 | C20 | C19 | 176.7° | 179.9° |
| C22 | C21 | C20 | H16 | 3.3° | 0.1° |
| C22 | C21 | C25 | H28 | 3.7° | 0.0° |
| C30 | N4 | C31 | C29 | 174.6° | 180.0° |
| C30 | N4 | C29 | C28 | 156.9° | 0.0° |
| C30 | N4 | C29 | O6 | 25.7° | 180.0° |
| N4 | C30 | H35 | H36 | 120.0° | 119.9° |
| N4 | C30 | H35 | H37 | 120.0° | 120.0° |
| N4 | C30 | H36 | H37 | 120.0° | 119.9° |
| C30 | N4 | C31 | H38 | 68.9° | 30.0° |
| C30 | N4 | C31 | H39 | 172.4° | 150.0° |
| C21 | C25 | C26 | H28 | 180.0° | 179.7° |
| C21 | C25 | C26 | C18 | 0.1° | 0.6° |
| C25 | C21 | C20 | C19 | 1.6° | 0.0° |
| C25 | C21 | C20 | H16 | 178.4° | 179.9° |
| C21 | C25 | C26 | H27 | 179.9° | 180.0° |
| C26 | C25 | C21 | C20 | 2.1° | 0.3° |
| C25 | C26 | C18 | H27 | 180.0° | 179.5° |
| C25 | C26 | C18 | C19 | 2.8° | 0.5° |
| C25 | C26 | C18 | N2 | 171.5° | 179.8° |
| C31 | N4 | C29 | C28 | 28.7° | 180.0° |
| C31 | N4 | C29 | O6 | 148.7° | 0.0° |
| C31 | N4 | C30 | H35 | 180.0° | 90.0° |
| C31 | N4 | C30 | H36 | 60.0° | 30.0° |
| C31 | N4 | C30 | H37 | 60.0° | 149.9° |
| N4 | C31 | H38 | H39 | 118.0° | 120.0° |
| N4 | C31 | C32 | H40 | 123.9° | 60.0° |
| N4 | C31 | C32 | H41 | 5.0° | 60.0° |
| C21 | C20 | C19 | H16 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 1.1° | 0.0° |
| C21 | C20 | C19 | H15 | 178.9° | 180.0° |
| C20 | C21 | C25 | H28 | 177.9° | 180.0° |
| N4 | C29 | C28 | O6 | 177.4° | 180.0° |
| N4 | C29 | C28 | C27 | 164.3° | 180.0° |
| N4 | C29 | C28 | H33 | 75.2° | 60.0° |
| N4 | C29 | C28 | H34 | 43.8° | 60.0° |
| C29 | N4 | C30 | H35 | 5.3° | 90.0° |
| C29 | N4 | C30 | H36 | 125.3° | 150.0° |
| C29 | N4 | C30 | H37 | 114.7° | 30.0° |
| C29 | N4 | C31 | H38 | 105.7° | 150.0° |
| C29 | N4 | C31 | H39 | 13.0° | 30.1° |
| C26 | C18 | C19 | C20 | 3.3° | 0.3° |
| C26 | C18 | C19 | N2 | 174.3° | 179.7° |
| C26 | C18 | N2 | C27 | 91.0° | 7.9° |
| C26 | C18 | N2 | C17 | 90.8° | 172.0° |
| C26 | C18 | C19 | H15 | 176.7° | 179.7° |
| C18 | C26 | C25 | H28 | 179.8° | 179.7° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C20 | C19 | C18 | N2 | 171.0° | 180.0° |
| C29 | C28 | C27 | H33 | 120.5° | 120.0° |
| C29 | C28 | C27 | H34 | 120.5° | 119.9° |
| C29 | C28 | C27 | N2 | 172.7° | 180.0° |
| C29 | C28 | C27 | H31 | 52.2° | 60.0° |
| C29 | C28 | C27 | H32 | 67.0° | 60.0° |
| C29 | C28 | H33 | H34 | 118.5° | 120.0° |
| O6 | C29 | C28 | C27 | 18.3° | 0.0° |
| O6 | C29 | C28 | H33 | 102.3° | 120.0° |
| O6 | C29 | C28 | H34 | 138.8° | 120.0° |
| C28 | C27 | N2 | C18 | 87.5° | 84.8° |
| C28 | C27 | N2 | H31 | 120.4° | 120.0° |
| C28 | C27 | N2 | H32 | 120.4° | 120.0° |
| C28 | C27 | N2 | C17 | 94.3° | 95.3° |
| C28 | C27 | H31 | H32 | 118.7° | 120.0° |
| C27 | C28 | H33 | H34 | 118.5° | 120.0° |
| C19 | C18 | N2 | C27 | 94.7° | 172.4° |
| C19 | C18 | N2 | C17 | 83.5° | 7.7° |
| C18 | C19 | C20 | H16 | 178.9° | 179.9° |
| C19 | C18 | C26 | H27 | 177.2° | 180.0° |
| C18 | N2 | C27 | C17 | 178.2° | 179.9° |
| C18 | N2 | C17 | C16 | 1.2° | 173.3° |
| C18 | N2 | C17 | O7 | 176.6° | 6.7° |
| N2 | C18 | C19 | H15 | 9.0° | 0.0° |
| N2 | C18 | C26 | H27 | 8.5° | 0.3° |
| C18 | N2 | C27 | H31 | 32.9° | 155.2° |
| C18 | N2 | C27 | H32 | 152.1° | 35.2° |
| C27 | N2 | C17 | C16 | 179.3° | 6.8° |
| C27 | N2 | C17 | O7 | 1.5° | 173.3° |
| N2 | C27 | H31 | H32 | 118.7° | 120.0° |
| N2 | C27 | C28 | H33 | 66.8° | 60.0° |
| N2 | C27 | C28 | H34 | 52.2° | 60.0° |
| N2 | C17 | C16 | C15 | 101.5° | 83.0° |
| N2 | C17 | C16 | O7 | 177.8° | 179.9° |
| N2 | C17 | C16 | N1 | 142.3° | 159.1° |
| N2 | C17 | C16 | H14 | 19.3° | 38.0° |
| C17 | N2 | C27 | H31 | 145.3° | 24.7° |
| C17 | N2 | C27 | H32 | 26.1° | 144.8° |
| C16 | C15 | C14 | H12 | 119.3° | 118.4° |
| C16 | C15 | C14 | H13 | 119.3° | 118.3° |
| C15 | C16 | C17 | N1 | 116.2° | 117.8° |
| C15 | C16 | C17 | H14 | 120.7° | 121.1° |
| C15 | C16 | C17 | O7 | 80.7° | 97.0° |
| C15 | C16 | N1 | H14 | 116.7° | 119.4° |
| C16 | C15 | C14 | C13 | 33.8° | 35.5° |
| C15 | C16 | N1 | C13 | 1.2° | 1.1° |
| C15 | C16 | N1 | C12 | 179.8° | 179.0° |
| C16 | C15 | C14 | H10 | 85.4° | 82.6° |
| C16 | C15 | C14 | H11 | 153.0° | 153.6° |
| C16 | C15 | H12 | H13 | 122.1° | 123.2° |
| C14 | C15 | C16 | C17 | 101.9° | 141.6° |
| C14 | C15 | C16 | N1 | 20.1° | 22.1° |
| C15 | C14 | C13 | H10 | 119.2° | 118.1° |
| C15 | C14 | C13 | H11 | 119.2° | 118.1° |
| C15 | C14 | C13 | N1 | 33.7° | 37.1° |
| C15 | C14 | C13 | H8 | 152.6° | 81.8° |
| C15 | C14 | C13 | H9 | 85.2° | 156.0° |
| C15 | C14 | H10 | H11 | 122.4° | 123.9° |
| C14 | C15 | H12 | H13 | 122.1° | 123.2° |
| C14 | C15 | C16 | H14 | 137.4° | 97.2° |
| C17 | C16 | N1 | H14 | 122.5° | 121.2° |
| C17 | C16 | N1 | C13 | 122.0° | 118.3° |
| C17 | C16 | N1 | C12 | 59.5° | 61.6° |
| C17 | C16 | C15 | H12 | 17.4° | 100.0° |
| C17 | C16 | C15 | H13 | 138.9° | 23.3° |
| O7 | C17 | C16 | N1 | 35.5° | 20.8° |
| O7 | C17 | C16 | H14 | 158.5° | 141.9° |
| C16 | N1 | C13 | C14 | 22.0° | 24.2° |
| C16 | N1 | C13 | C12 | 178.4° | 179.9° |
| C16 | N1 | C12 | O8 | 15.3° | 5.0° |
| C16 | N1 | C12 | C7 | 165.1° | 175.0° |
| C16 | N1 | C13 | H8 | 140.9° | 94.7° |
| C16 | N1 | C13 | H9 | 96.9° | 143.1° |
| N1 | C16 | C15 | H12 | 139.4° | 140.5° |
| N1 | C16 | C15 | H13 | 99.2° | 96.2° |
| C14 | C13 | N1 | H8 | 118.9° | 118.9° |
| C14 | C13 | N1 | H9 | 118.9° | 118.9° |
| C14 | C13 | N1 | C12 | 159.6° | 155.9° |
| C14 | C13 | H8 | H9 | 123.1° | 122.3° |
| C13 | C14 | H10 | H11 | 122.4° | 123.9° |
| C13 | C14 | C15 | H12 | 153.1° | 153.9° |
| C13 | C14 | C15 | H13 | 85.5° | 82.9° |
| C13 | N1 | C12 | O8 | 163.0° | 175.2° |
| C13 | N1 | C12 | C7 | 16.6° | 4.8° |
| N1 | C13 | H8 | H9 | 123.1° | 122.2° |
| N1 | C13 | C14 | H10 | 85.5° | 81.0° |
| N1 | C13 | C14 | H11 | 152.9° | 155.2° |
| C13 | N1 | C16 | H14 | 115.5° | 120.5° |
| N1 | C12 | O8 | C7 | 179.5° | 180.0° |
| N1 | C12 | C7 | N | 122.3° | 147.1° |
| N1 | C12 | C7 | C8 | 111.5° | 92.9° |
| C12 | N1 | C13 | H8 | 40.7° | 85.2° |
| C12 | N1 | C13 | H9 | 81.4° | 37.0° |
| C12 | N1 | C16 | H14 | 63.1° | 59.6° |
| N1 | C12 | C7 | H23 | 6.2° | 27.1° |
| O8 | C12 | C7 | N | 57.3° | 32.9° |
| O8 | C12 | C7 | C8 | 68.9° | 87.1° |
| O8 | C12 | C7 | H23 | 173.3° | 152.9° |
| C12 | C7 | N | C8 | 126.8° | 120.0° |
| C12 | C7 | N | H23 | 115.4° | 120.0° |
| C12 | C7 | C8 | H23 | 117.9° | 120.0° |
| C12 | C7 | N | C6 | 74.2° | 155.0° |
| C12 | C7 | C8 | C11 | 55.5° | 60.8° |
| C12 | C7 | C8 | C9 | 64.4° | 179.2° |
| C12 | C7 | C8 | C10 | 176.4° | 59.2° |
| C12 | C7 | N | H22 | 105.8° | 25.0° |
| S | C4 | C50 | C3 | 175.1° | 180.0° |
| S | C4 | C50 | C51 | 171.7° | 179.8° |
| C4 | S | C5 | C6 | 174.7° | 180.0° |
| C4 | S | C5 | C49 | 1.0° | 0.0° |
| S | C4 | C3 | C49 | 1.5° | 0.0° |
| S | C4 | C3 | C2 | 173.2° | 180.0° |
| S | C4 | C50 | H18 | 8.3° | 0.1° |
| S | C5 | C6 | O9 | 15.2° | 180.0° |
| C5 | S | C4 | C50 | 175.8° | 180.0° |
| C5 | S | C4 | C3 | 0.4° | 0.0° |
| S | C5 | C6 | C49 | 174.5° | 180.0° |
| S | C5 | C6 | N | 161.9° | 0.0° |
| S | C5 | C49 | C3 | 2.1° | 0.0° |
| S | C5 | C49 | H17 | 178.0° | 180.0° |
| O9 | C6 | N | C7 | 4.6° | 0.0° |
| O9 | C6 | C5 | N | 177.1° | 180.0° |
| O9 | C6 | C5 | C49 | 170.3° | 0.0° |
| O9 | C6 | N | H22 | 175.5° | 180.0° |
| F | C | C1 | C51 | 61.6° | 154.8° |
| F | C | P | O2 | 51.4° | 64.9° |
| F | C | C1 | F1 | 111.2° | 120.0° |
| F | C | C1 | P | 116.8° | 120.1° |
| F | C | C1 | C2 | 109.1° | 25.5° |
| F | C | F1 | P | 115.2° | 120.0° |
| F | C | P | O | 72.7° | 55.1° |
| F | C | P | O1 | 175.2° | 175.1° |
| C4 | C50 | C51 | H18 | 180.0° | 179.8° |
| C4 | C50 | C51 | C1 | 0.4° | 0.5° |
| C50 | C4 | C3 | C49 | 177.3° | 180.0° |
| C50 | C4 | C3 | C2 | 2.6° | 0.0° |
| C4 | C50 | C51 | H19 | 179.6° | 180.0° |
| C51 | C50 | C4 | C3 | 3.4° | 0.2° |
| C50 | C51 | C1 | H19 | 180.0° | 179.6° |
| C50 | C51 | C1 | C | 167.4° | 179.8° |
| C50 | C51 | C1 | C2 | 3.4° | 0.5° |
| N | C7 | C8 | H23 | 118.5° | 120.0° |
| C7 | N | C6 | C5 | 172.4° | 180.0° |
| C7 | N | C6 | H22 | 180.0° | 179.9° |
| N | C7 | C8 | C11 | 68.1° | 179.2° |
| N | C7 | C8 | C9 | 172.1° | 59.2° |
| N | C7 | C8 | C10 | 52.8° | 60.8° |
| C8 | C7 | N | C6 | 159.0° | 85.0° |
| C7 | C8 | C11 | C9 | 119.4° | 120.0° |
| C7 | C8 | C11 | C10 | 122.3° | 120.0° |
| C7 | C8 | C9 | C10 | 120.4° | 120.0° |
| C7 | C8 | C10 | H2 | 180.0° | 180.0° |
| C7 | C8 | C10 | H3 | 60.0° | 60.0° |
| C7 | C8 | C10 | H4 | 60.0° | 60.0° |
| C7 | C8 | C11 | H5 | 180.0° | 64.2° |
| C7 | C8 | C11 | H6 | 60.0° | 175.8° |
| C7 | C8 | C11 | H7 | 60.0° | 55.8° |
| C8 | C7 | N | H22 | 21.0° | 94.9° |
| C7 | C8 | C9 | H24 | 180.0° | 60.0° |
| C7 | C8 | C9 | H25 | 60.0° | 60.0° |
| C7 | C8 | C9 | H26 | 60.0° | 180.0° |
| C4 | C3 | C49 | C5 | 2.3° | 0.0° |
| C4 | C3 | C2 | C1 | 1.3° | 0.0° |
| C4 | C3 | C49 | C2 | 173.7° | 180.0° |
| C4 | C3 | C2 | H1 | 178.7° | 180.0° |
| C4 | C3 | C49 | H17 | 177.7° | 180.0° |
| C3 | C4 | C50 | H18 | 176.6° | 180.0° |
| C51 | C1 | C | C2 | 170.7° | 179.7° |
| C51 | C1 | C2 | C3 | 4.3° | 0.3° |
| C51 | C1 | C | F1 | 172.8° | 34.8° |
| C51 | C1 | C | P | 55.2° | 85.2° |
| C51 | C1 | C2 | H1 | 175.7° | 179.7° |
| C1 | C51 | C50 | H18 | 179.6° | 179.7° |
| C6 | C5 | C49 | C3 | 172.5° | 180.0° |
| C6 | C5 | C49 | H17 | 7.5° | 0.0° |
| C5 | C6 | N | H22 | 7.6° | 0.1° |
| N | C6 | C5 | C49 | 12.6° | 180.0° |
| C6 | N | C7 | H23 | 41.2° | 35.0° |
| C5 | C49 | C3 | H17 | 180.0° | 180.0° |
| C5 | C49 | C3 | C2 | 171.4° | 180.0° |
| C11 | C8 | C9 | C10 | 118.1° | 120.0° |
| C11 | C8 | C10 | H2 | 57.2° | 60.0° |
| C11 | C8 | C10 | H3 | 177.2° | 180.0° |
| C11 | C8 | C10 | H4 | 62.9° | 60.0° |
| C8 | C11 | H5 | H6 | 120.0° | 119.9° |
| C8 | C11 | H5 | H7 | 120.0° | 120.1° |
| C8 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C8 | C7 | H23 | 173.3° | 59.2° |
| C11 | C8 | C9 | H24 | 58.4° | 60.0° |
| C11 | C8 | C9 | H25 | 61.6° | 180.0° |
| C11 | C8 | C9 | H26 | 178.5° | 60.0° |
| C9 | C8 | C10 | H2 | 61.2° | 60.0° |
| C9 | C8 | C10 | H3 | 58.8° | 60.0° |
| C9 | C8 | C10 | H4 | 178.8° | 180.0° |
| C9 | C8 | C11 | H5 | 60.7° | 55.8° |
| C9 | C8 | C11 | H6 | 179.3° | 64.2° |
| C9 | C8 | C11 | H7 | 59.4° | 175.8° |
| C9 | C8 | C7 | H23 | 53.5° | 60.8° |
| C8 | C9 | H24 | H25 | 120.0° | 120.0° |
| C8 | C9 | H24 | H26 | 120.0° | 119.9° |
| C8 | C9 | H25 | H26 | 120.0° | 120.0° |
| O2 | P | C | C1 | 65.2° | 175.1° |
| O2 | P | C | F1 | 164.8° | 55.1° |
| O2 | P | C | O | 124.1° | 120.0° |
| O2 | P | C | O1 | 123.8° | 120.0° |
| O2 | P | O | O1 | 125.3° | 120.0° |
| O2 | P | O1 | H20 | 0.0° | 60.0° |
| O2 | P | O | H21 | 0.0° | 175.1° |
| C | C1 | C2 | C3 | 166.5° | 180.0° |
| C1 | C | F1 | P | 131.8° | 120.0° |
| C1 | C | P | O | 170.7° | 64.9° |
| C1 | C | P | O1 | 58.6° | 55.1° |
| C | C1 | C2 | H1 | 13.5° | 0.0° |
| C | C1 | C51 | H19 | 12.6° | 0.2° |
| C1 | C2 | C3 | C49 | 172.0° | 180.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C2 | C1 | C | F1 | 2.1° | 145.5° |
| C2 | C1 | C | P | 134.1° | 94.5° |
| C2 | C1 | C51 | H19 | 176.6° | 179.9° |
| C8 | C10 | H2 | H3 | 120.0° | 120.0° |
| C8 | C10 | H2 | H4 | 120.0° | 120.0° |
| C8 | C10 | H3 | H4 | 120.0° | 120.0° |
| C10 | C8 | C11 | H5 | 57.7° | 175.8° |
| C10 | C8 | C11 | H6 | 62.3° | 55.8° |
| C10 | C8 | C11 | H7 | 177.7° | 64.2° |
| C10 | C8 | C7 | H23 | 65.7° | 179.2° |
| C10 | C8 | C9 | H24 | 59.6° | 180.0° |
| C10 | C8 | C9 | H25 | 179.6° | 60.0° |
| C10 | C8 | C9 | H26 | 60.4° | 60.0° |
| C49 | C3 | C2 | H1 | 8.0° | 0.0° |
| C2 | C3 | C49 | H17 | 8.6° | 0.0° |
| F1 | C | P | O | 40.7° | 175.1° |
| F1 | C | P | O1 | 71.3° | 64.9° |
| C | P | O | O1 | 113.4° | 120.0° |
| C | P | O1 | H20 | 122.6° | 180.0° |
| C | P | O | H21 | 121.3° | 55.2° |
| O | P | O1 | H20 | 126.6° | 60.0° |
| O1 | P | O | H21 | 125.3° | 64.9° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C13 | C14 | H10 | 33.5° | 160.1° |
| H8 | C13 | C14 | H11 | 88.2° | 36.3° |
| H9 | C13 | C14 | H10 | 155.6° | 37.9° |
| H9 | C13 | C14 | H11 | 33.9° | 85.9° |
| H10 | C14 | C15 | H12 | 33.9° | 35.8° |
| H10 | C14 | C15 | H13 | 155.4° | 159.0° |
| H11 | C14 | C15 | H12 | 87.7° | 88.0° |
| H11 | C14 | C15 | H13 | 33.7° | 35.2° |
| H12 | C15 | C16 | H14 | 103.3° | 21.2° |
| H13 | C15 | C16 | H14 | 18.2° | 144.4° |
| H15 | C19 | C20 | H16 | 1.1° | 0.1° |
| H18 | C50 | C51 | H19 | 0.4° | 0.1° |
| H22 | N | C7 | H23 | 138.8° | 145.1° |
| H24 | C9 | H25 | H26 | 120.0° | 120.0° |
| H27 | C26 | C25 | H28 | 0.2° | 0.3° |
| H29 | C24 | C23 | H30 | 0.4° | 0.3° |
| H31 | C27 | C28 | H33 | 172.8° | 180.0° |
| H31 | C27 | C28 | H34 | 68.3° | 59.9° |
| H32 | C27 | C28 | H33 | 53.6° | 60.0° |
| H32 | C27 | C28 | H34 | 172.6° | 180.0° |
| H35 | C30 | H36 | H37 | 120.0° | 120.1° |
| H38 | C31 | C32 | H40 | 115.4° | 180.0° |
| H38 | C31 | C32 | H41 | 125.7° | 60.0° |
| H39 | C31 | C32 | H40 | 3.3° | 60.0° |
| H39 | C31 | C32 | H41 | 115.7° | 180.0° |
| H40 | C32 | C33 | H42 | 156.3° | 180.0° |
| H40 | C32 | C33 | H43 | 37.9° | 60.0° |
| H41 | C32 | C33 | H42 | 84.8° | 60.0° |
| H41 | C32 | C33 | H43 | 156.8° | 180.0° |
| H46 | C39 | C38 | H47 | 0.2° | 0.4° |
| H47 | C38 | C37 | H48 | 0.1° | 0.4° |
| H49 | C43 | C47 | H50 | 176.0° | 176.0° |
| H49 | C43 | C47 | H51 | 55.9° | 55.4° |
| H50 | C47 | C46 | H52 | 50.6° | 55.8° |
| H50 | C47 | C46 | H53 | 169.0° | 176.0° |
| H51 | C47 | C46 | H52 | 69.5° | 64.8° |
| H51 | C47 | C46 | H53 | 49.0° | 55.4° |
