KY9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | N35 | sing | 1.32Å | 1.32Å | Aromatic |
| C34 | C33 | doub | 1.33Å | 1.36Å | Aromatic |
| N35 | C31 | doub | 1.30Å | 1.34Å | Aromatic |
| C33 | S32 | sing | 1.76Å | 1.75Å | Aromatic |
| C31 | N30 | sing | 1.39Å | 1.39Å | |
| C31 | S32 | sing | 1.71Å | 1.74Å | Aromatic |
| N30 | C29 | sing | 1.35Å | 1.43Å | |
| C24 | C23 | sing | 1.55Å | 1.56Å | |
| C24 | C25 | sing | 1.54Å | 1.55Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C25 | N26 | sing | 1.47Å | 1.47Å | |
| C22 | N26 | sing | 1.37Å | 1.36Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.34Å | Aromatic |
| C29 | C20 | sing | 1.51Å | 1.49Å | |
| C29 | O36 | doub | 1.21Å | 1.27Å | |
| N26 | C27 | sing | 1.35Å | 1.35Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.47Å | |
| C21 | N28 | sing | 1.34Å | 1.34Å | Aromatic |
| C20 | N19 | sing | 1.47Å | 1.49Å | |
| C27 | N28 | doub | 1.30Å | 1.29Å | Aromatic |
| O38 | C18 | doub | 1.22Å | 1.25Å | |
| N19 | C18 | sing | 1.34Å | 1.29Å | |
| N19 | C37 | sing | 1.47Å | 1.48Å | |
| C18 | C17 | sing | 1.48Å | 1.50Å | |
| C37 | C16 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C39 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C9 | doub | 1.40Å | 1.45Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.47Å | |
| C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.43Å | 1.42Å | |
| F15 | C12 | sing | 1.40Å | 1.35Å | |
| F14 | C12 | sing | 1.40Å | 1.35Å | |
| C12 | F13 | sing | 1.40Å | 1.35Å | |
| C8 | C7 | trip | 1.17Å | 1.16Å | |
| C7 | C6 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C40 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.45Å | |
| N1 | C2 | sing | 1.47Å | 1.52Å | |
| N1 | C46 | sing | 1.47Å | 1.48Å | |
| N1 | C42 | sing | 1.47Å | 1.45Å | |
| C46 | C45 | sing | 1.53Å | 1.52Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C47 | C44 | sing | 1.53Å | 1.53Å | |
| C47 | O48 | sing | 1.43Å | 1.44Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| N30 | H13 | sing | 0.97Å | 1.00Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| C34 | H15 | sing | 1.08Å | 1.08Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.08Å | 1.08Å | |
| C40 | H19 | sing | 1.08Å | 1.08Å | |
| C41 | H20 | sing | 1.08Å | 1.08Å | |
| C42 | H21 | sing | 1.09Å | 1.10Å | |
| C42 | H22 | sing | 1.09Å | 1.10Å | |
| C43 | H23 | sing | 1.09Å | 1.10Å | |
| C43 | H24 | sing | 1.09Å | 1.10Å | |
| C44 | H25 | sing | 1.09Å | 1.10Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H27 | sing | 1.09Å | 1.10Å | |
| C46 | H28 | sing | 1.09Å | 1.10Å | |
| C46 | H29 | sing | 1.09Å | 1.10Å | |
| C47 | H30 | sing | 1.09Å | 1.10Å | |
| C47 | H31 | sing | 1.09Å | 1.10Å | |
| O48 | H32 | sing | 0.97Å | 0.95Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N35 | C34 | C33 | 118.0° | 114.6° |
| C34 | N35 | C31 | 115.0° | 116.9° |
| N35 | C34 | H15 | 121.0° | 122.7° |
| C34 | C33 | S32 | 105.8° | 108.1° |
| C34 | C33 | H14 | 127.1° | 125.9° |
| C33 | C34 | H15 | 121.0° | 122.8° |
| N35 | C31 | N30 | 122.6° | 125.0° |
| N35 | C31 | S32 | 108.8° | 110.1° |
| C33 | S32 | C31 | 92.4° | 90.3° |
| S32 | C33 | H14 | 127.1° | 126.0° |
| N30 | C31 | S32 | 128.6° | 124.9° |
| C31 | N30 | C29 | 118.8° | 120.0° |
| C31 | N30 | H13 | 120.6° | 120.0° |
| N30 | C29 | C20 | 113.6° | 120.0° |
| N30 | C29 | O36 | 122.3° | 120.0° |
| C29 | N30 | H13 | 120.6° | 120.0° |
| C23 | C24 | C25 | 104.1° | 102.0° |
| C24 | C23 | C22 | 105.8° | 104.3° |
| C24 | C23 | H8 | 110.4° | 110.4° |
| C24 | C23 | H9 | 110.4° | 110.6° |
| C23 | C24 | H10 | 110.8° | 110.9° |
| C23 | C24 | H6 | 110.8° | 110.9° |
| C24 | C25 | N26 | 107.8° | 105.7° |
| C25 | C24 | H10 | 110.8° | 110.9° |
| C24 | C25 | H11 | 109.9° | 110.2° |
| C25 | C24 | H6 | 110.8° | 111.0° |
| C24 | C25 | H33 | 109.9° | 110.2° |
| C23 | C22 | N26 | 110.3° | 109.9° |
| C23 | C22 | C21 | 142.9° | 143.1° |
| C22 | C23 | H8 | 110.4° | 110.4° |
| C22 | C23 | H9 | 110.4° | 110.5° |
| C25 | N26 | C22 | 112.1° | 110.7° |
| C25 | N26 | C27 | 139.1° | 142.2° |
| N26 | C25 | H11 | 109.9° | 110.3° |
| N26 | C25 | H33 | 109.9° | 110.2° |
| N26 | C22 | C21 | 106.7° | 107.0° |
| C22 | N26 | C27 | 108.7° | 107.1° |
| C22 | C21 | C20 | 128.8° | 126.0° |
| C22 | C21 | N28 | 106.4° | 107.9° |
| C20 | C29 | O36 | 124.0° | 120.0° |
| C29 | C20 | C21 | 108.9° | 109.4° |
| C29 | C20 | N19 | 105.1° | 109.5° |
| C29 | C20 | H7 | 110.1° | 109.5° |
| N26 | C27 | N28 | 106.0° | 108.7° |
| N26 | C27 | H12 | 127.0° | 125.6° |
| C20 | C21 | N28 | 124.7° | 126.1° |
| C21 | C20 | N19 | 112.1° | 109.4° |
| C21 | C20 | H7 | 110.4° | 109.5° |
| C21 | N28 | C27 | 112.2° | 109.3° |
| C20 | N19 | C18 | 120.1° | 125.6° |
| C20 | N19 | C37 | 123.3° | 125.5° |
| N19 | C20 | H7 | 110.1° | 109.5° |
| N28 | C27 | H12 | 127.0° | 125.7° |
| O38 | C18 | N19 | 126.9° | 124.8° |
| O38 | C18 | C17 | 125.0° | 124.9° |
| C18 | N19 | C37 | 116.1° | 108.8° |
| N19 | C18 | C17 | 108.0° | 110.3° |
| N19 | C37 | C16 | 98.6° | 106.2° |
| N19 | C37 | H16 | 112.1° | 110.2° |
| N19 | C37 | H17 | 112.1° | 110.1° |
| C18 | C17 | C16 | 105.5° | 108.3° |
| C18 | C17 | C39 | 132.5° | 132.2° |
| C37 | C16 | C17 | 111.4° | 106.4° |
| C37 | C16 | C11 | 130.3° | 133.0° |
| C16 | C37 | H16 | 112.1° | 110.1° |
| C16 | C37 | H17 | 112.1° | 110.0° |
| C16 | C17 | C39 | 121.9° | 119.5° |
| C17 | C16 | C11 | 118.3° | 120.6° |
| C17 | C39 | C9 | 116.9° | 119.7° |
| C17 | C39 | H18 | 121.6° | 120.2° |
| C16 | C11 | C12 | 116.5° | 119.9° |
| C16 | C11 | C10 | 122.5° | 120.2° |
| C39 | C9 | C10 | 121.2° | 119.9° |
| C39 | C9 | C8 | 116.6° | 120.1° |
| C9 | C39 | H18 | 121.6° | 120.1° |
| C12 | C11 | C10 | 121.0° | 120.0° |
| C11 | C12 | F15 | 119.8° | 109.5° |
| C11 | C12 | F14 | 113.7° | 109.5° |
| C11 | C12 | F13 | 106.1° | 109.4° |
| C11 | C10 | C9 | 119.1° | 120.1° |
| C11 | C10 | H5 | 120.4° | 119.9° |
| C10 | C9 | C8 | 122.1° | 120.0° |
| C9 | C10 | H5 | 120.5° | 120.0° |
| C9 | C8 | C7 | 179.3° | 180.0° |
| F15 | C12 | F14 | 100.8° | 109.5° |
| F15 | C12 | F13 | 109.5° | 109.5° |
| F14 | C12 | F13 | 106.1° | 109.4° |
| C8 | C7 | C6 | 176.0° | 180.0° |
| C7 | C6 | C5 | 122.7° | 120.1° |
| C7 | C6 | C40 | 116.5° | 120.2° |
| C6 | C5 | C4 | 121.1° | 119.8° |
| C5 | C6 | C40 | 120.7° | 119.7° |
| C6 | C5 | H4 | 119.4° | 120.1° |
| C5 | C4 | C3 | 118.5° | 120.1° |
| C5 | C4 | H3 | 120.8° | 120.0° |
| C4 | C5 | H4 | 119.5° | 120.0° |
| C6 | C40 | C41 | 118.0° | 119.9° |
| C6 | C40 | H19 | 121.0° | 120.1° |
| C4 | C3 | C41 | 119.9° | 120.3° |
| C4 | C3 | C2 | 116.7° | 119.8° |
| C3 | C4 | H3 | 120.8° | 119.9° |
| C40 | C41 | C3 | 121.7° | 120.1° |
| C41 | C40 | H19 | 121.0° | 120.1° |
| C40 | C41 | H20 | 119.1° | 119.9° |
| C41 | C3 | C2 | 123.3° | 119.8° |
| C3 | C41 | H20 | 119.1° | 119.9° |
| C3 | C2 | N1 | 109.1° | 109.5° |
| C3 | C2 | H1 | 109.6° | 109.4° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C2 | N1 | C46 | 112.9° | 111.0° |
| C2 | N1 | C42 | 100.6° | 111.0° |
| N1 | C2 | H1 | 109.6° | 109.5° |
| N1 | C2 | H2 | 109.5° | 109.5° |
| C46 | N1 | C42 | 112.0° | 111.2° |
| N1 | C46 | C45 | 113.6° | 109.5° |
| N1 | C46 | H28 | 108.4° | 109.5° |
| N1 | C46 | H29 | 108.4° | 109.5° |
| N1 | C42 | C43 | 109.9° | 109.5° |
| N1 | C42 | H21 | 109.4° | 109.5° |
| N1 | C42 | H22 | 109.4° | 109.5° |
| C46 | C45 | C44 | 109.6° | 109.3° |
| C46 | C45 | H26 | 109.4° | 109.5° |
| C46 | C45 | H27 | 109.4° | 109.6° |
| C45 | C46 | H28 | 108.4° | 109.5° |
| C45 | C46 | H29 | 108.4° | 109.5° |
| C45 | C44 | C43 | 107.2° | 109.2° |
| C45 | C44 | C47 | 107.3° | 109.6° |
| C45 | C44 | H25 | 111.7° | 109.5° |
| C44 | C45 | H26 | 109.5° | 109.5° |
| C44 | C45 | H27 | 109.4° | 109.5° |
| C42 | C43 | C44 | 109.8° | 109.2° |
| C43 | C42 | H21 | 109.3° | 109.4° |
| C43 | C42 | H22 | 109.3° | 109.5° |
| C42 | C43 | H23 | 109.4° | 109.5° |
| C42 | C43 | H24 | 109.4° | 109.5° |
| C43 | C44 | C47 | 106.9° | 109.5° |
| C44 | C43 | H23 | 109.4° | 109.5° |
| C44 | C43 | H24 | 109.4° | 109.5° |
| C43 | C44 | H25 | 111.7° | 109.5° |
| C44 | C47 | O48 | 112.8° | 109.5° |
| C47 | C44 | H25 | 111.7° | 109.6° |
| C44 | C47 | H30 | 108.7° | 109.5° |
| C44 | C47 | H31 | 108.6° | 109.5° |
| O48 | C47 | H30 | 108.6° | 109.5° |
| O48 | C47 | H31 | 108.6° | 109.5° |
| C47 | O48 | H32 | 109.5° | 114.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 110.5° |
| H10 | C24 | H6 | 109.5° | 110.8° |
| H11 | C25 | H33 | 109.5° | 110.3° |
| H16 | C37 | H17 | 109.5° | 110.1° |
| H21 | C42 | H22 | 109.5° | 109.5° |
| H23 | C43 | H24 | 109.5° | 109.6° |
| H26 | C45 | H27 | 109.4° | 109.5° |
| H28 | C46 | H29 | 109.5° | 109.4° |
| H30 | C47 | H31 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N35 | C34 | C33 | H15 | 180.0° | 179.5° |
| N35 | C34 | C33 | S32 | 0.1° | 0.3° |
| C34 | N35 | C31 | N30 | 179.0° | 179.8° |
| C34 | N35 | C31 | S32 | 0.1° | 0.4° |
| N35 | C34 | C33 | H14 | 179.9° | 179.8° |
| C33 | C34 | N35 | C31 | 0.2° | 0.5° |
| C34 | C33 | S32 | H14 | 180.0° | 180.0° |
| C34 | C33 | S32 | C31 | 0.0° | 0.0° |
| N35 | C31 | S32 | C33 | 0.1° | 0.2° |
| N35 | C31 | N30 | S32 | 178.6° | 179.8° |
| N35 | C31 | N30 | C29 | 178.2° | 0.3° |
| N35 | C31 | N30 | H13 | 1.8° | 179.7° |
| C31 | N35 | C34 | H15 | 179.8° | 180.0° |
| C33 | S32 | C31 | N30 | 178.8° | 180.0° |
| S32 | C33 | C34 | H15 | 179.9° | 179.8° |
| C31 | N30 | C29 | H13 | 180.0° | 180.0° |
| C31 | N30 | C29 | C20 | 176.3° | 180.0° |
| C31 | N30 | C29 | O36 | 4.9° | 0.0° |
| S32 | C31 | N30 | C29 | 0.4° | 180.0° |
| S32 | C31 | N30 | H13 | 179.6° | 0.0° |
| C31 | S32 | C33 | H14 | 180.0° | 180.0° |
| N30 | C29 | C20 | O36 | 178.8° | 179.9° |
| N30 | C29 | C20 | C21 | 94.6° | 60.0° |
| N30 | C29 | C20 | N19 | 145.1° | 180.0° |
| N30 | C29 | C20 | H7 | 26.5° | 60.0° |
| C23 | C24 | C25 | H10 | 119.2° | 118.1° |
| C23 | C24 | C25 | H6 | 119.1° | 118.2° |
| C24 | C23 | C22 | H8 | 119.4° | 118.6° |
| C24 | C23 | C22 | H9 | 119.4° | 118.8° |
| C23 | C24 | C25 | N26 | 0.3° | 26.0° |
| C24 | C23 | C22 | N26 | 0.7° | 16.5° |
| C24 | C23 | C22 | C21 | 175.8° | 163.3° |
| C24 | C23 | H8 | H9 | 121.7° | 122.7° |
| C23 | C24 | H10 | H6 | 122.5° | 123.6° |
| C23 | C24 | C25 | H11 | 119.4° | 93.1° |
| C23 | C24 | C25 | H33 | 120.1° | 145.0° |
| C25 | C24 | C23 | C22 | 0.6° | 25.3° |
| C24 | C25 | N26 | H11 | 119.7° | 119.0° |
| C24 | C25 | N26 | H33 | 119.7° | 119.0° |
| C24 | C25 | N26 | C22 | 0.1° | 17.2° |
| C24 | C25 | N26 | C27 | 176.9° | 163.0° |
| C25 | C24 | C23 | H8 | 120.0° | 93.3° |
| C25 | C24 | C23 | H9 | 118.8° | 144.1° |
| C25 | C24 | H10 | H6 | 122.5° | 123.7° |
| C24 | C25 | H11 | H33 | 120.8° | 121.8° |
| C23 | C22 | N26 | C25 | 0.5° | 0.4° |
| C23 | C22 | N26 | C21 | 176.9° | 179.9° |
| C23 | C22 | N26 | C27 | 177.4° | 179.8° |
| C23 | C22 | C21 | C20 | 6.3° | 0.3° |
| C23 | C22 | C21 | N28 | 176.8° | 179.5° |
| C22 | C23 | H8 | H9 | 121.7° | 122.5° |
| C22 | C23 | C24 | H10 | 119.7° | 143.5° |
| C22 | C23 | C24 | H6 | 118.6° | 92.9° |
| C25 | N26 | C22 | C27 | 177.9° | 179.9° |
| C25 | N26 | C22 | C21 | 177.5° | 179.8° |
| C25 | N26 | C27 | N28 | 177.9° | 179.9° |
| N26 | C25 | C24 | H10 | 119.5° | 144.1° |
| N26 | C25 | H11 | H33 | 120.8° | 121.9° |
| C25 | N26 | C27 | H12 | 2.1° | 0.3° |
| N26 | C25 | C24 | H6 | 118.8° | 92.2° |
| N26 | C22 | C21 | C20 | 178.5° | 179.9° |
| N26 | C22 | C21 | N28 | 1.5° | 0.3° |
| C22 | N26 | C27 | N28 | 0.8° | 0.2° |
| N26 | C22 | C23 | H8 | 120.1° | 102.1° |
| N26 | C22 | C23 | H9 | 118.7° | 135.4° |
| C22 | N26 | C25 | H11 | 119.8° | 101.8° |
| C22 | N26 | C27 | H12 | 179.2° | 179.9° |
| C22 | N26 | C25 | H33 | 119.6° | 136.2° |
| C22 | C21 | C20 | C29 | 5.8° | 104.7° |
| C21 | C22 | N26 | C27 | 0.5° | 0.1° |
| C22 | C21 | C20 | N28 | 176.4° | 179.7° |
| C22 | C21 | C20 | N19 | 121.7° | 135.3° |
| C22 | C21 | N28 | C27 | 2.2° | 0.4° |
| C22 | C21 | C20 | H7 | 115.2° | 15.3° |
| C21 | C22 | C23 | H8 | 64.7° | 78.1° |
| C21 | C22 | C23 | H9 | 56.4° | 44.4° |
| C29 | C20 | C21 | N19 | 115.9° | 120.0° |
| C29 | C20 | C21 | H7 | 121.0° | 120.0° |
| C29 | C20 | C21 | N28 | 170.6° | 75.0° |
| C29 | C20 | N19 | H7 | 118.6° | 120.0° |
| C29 | C20 | N19 | C18 | 85.9° | 60.0° |
| C29 | C20 | N19 | C37 | 86.9° | 120.1° |
| C20 | C29 | N30 | H13 | 3.7° | 0.0° |
| O36 | C29 | C20 | C21 | 86.6° | 120.0° |
| O36 | C29 | C20 | N19 | 33.6° | 0.1° |
| O36 | C29 | C20 | H7 | 152.2° | 120.0° |
| O36 | C29 | N30 | H13 | 175.1° | 180.0° |
| N26 | C27 | N28 | C21 | 1.9° | 0.4° |
| N26 | C27 | N28 | H12 | 180.0° | 179.8° |
| C27 | N26 | C25 | H11 | 57.2° | 78.0° |
| C27 | N26 | C25 | H33 | 63.4° | 44.0° |
| C21 | C20 | N19 | H7 | 123.3° | 120.0° |
| C20 | C21 | N28 | C27 | 179.3° | 179.8° |
| C21 | C20 | N19 | C18 | 155.9° | 59.9° |
| C21 | C20 | N19 | C37 | 31.3° | 120.0° |
| N28 | C21 | C20 | N19 | 54.7° | 45.0° |
| N28 | C21 | C20 | H7 | 68.4° | 165.0° |
| C21 | N28 | C27 | H12 | 178.1° | 179.9° |
| C20 | N19 | C18 | O38 | 1.9° | 0.1° |
| C20 | N19 | C18 | C37 | 173.3° | 179.9° |
| C20 | N19 | C18 | C17 | 179.5° | 180.0° |
| C20 | N19 | C37 | C16 | 178.9° | 180.0° |
| C20 | N19 | C37 | H16 | 62.9° | 60.8° |
| C20 | N19 | C37 | H17 | 60.7° | 60.9° |
| O38 | C18 | N19 | C17 | 178.6° | 180.0° |
| O38 | C18 | N19 | C37 | 175.2° | 180.0° |
| O38 | C18 | C17 | C16 | 177.8° | 180.0° |
| O38 | C18 | C17 | C39 | 5.5° | 0.4° |
| C18 | N19 | C37 | C16 | 5.8° | 0.1° |
| N19 | C18 | C17 | C16 | 3.6° | 0.0° |
| N19 | C18 | C17 | C39 | 173.1° | 179.5° |
| C18 | N19 | C20 | H7 | 32.7° | 180.0° |
| C18 | N19 | C37 | H16 | 124.0° | 119.2° |
| C18 | N19 | C37 | H17 | 112.3° | 119.2° |
| C37 | N19 | C18 | C17 | 6.2° | 0.0° |
| N19 | C37 | C16 | H16 | 118.2° | 119.3° |
| N19 | C37 | C16 | H17 | 118.2° | 119.2° |
| N19 | C37 | C16 | C17 | 3.1° | 0.0° |
| N19 | C37 | C16 | C11 | 174.5° | 179.9° |
| C37 | N19 | C20 | H7 | 154.5° | 0.1° |
| N19 | C37 | H16 | H17 | 125.1° | 121.7° |
| C18 | C17 | C16 | C37 | 0.1° | 0.0° |
| C18 | C17 | C16 | C39 | 177.1° | 179.6° |
| C18 | C17 | C16 | C11 | 177.9° | 180.0° |
| C18 | C17 | C39 | C9 | 178.8° | 179.8° |
| C18 | C17 | C39 | H18 | 1.2° | 0.5° |
| C37 | C16 | C17 | C11 | 178.0° | 180.0° |
| C37 | C16 | C17 | C39 | 177.2° | 179.6° |
| C37 | C16 | C11 | C12 | 2.1° | 0.1° |
| C37 | C16 | C11 | C10 | 179.0° | 179.9° |
| C16 | C37 | H16 | H17 | 125.1° | 121.5° |
| C16 | C17 | C39 | C9 | 2.6° | 0.3° |
| C17 | C16 | C11 | C12 | 179.7° | 180.0° |
| C17 | C16 | C11 | C10 | 1.4° | 0.0° |
| C17 | C16 | C37 | H16 | 121.3° | 119.2° |
| C17 | C16 | C37 | H17 | 115.0° | 119.3° |
| C16 | C17 | C39 | H18 | 177.4° | 180.0° |
| C39 | C17 | C16 | C11 | 0.8° | 0.3° |
| C17 | C39 | C9 | H18 | 180.0° | 179.7° |
| C17 | C39 | C9 | C10 | 2.4° | 0.0° |
| C17 | C39 | C9 | C8 | 179.7° | 180.0° |
| C16 | C11 | C12 | C10 | 178.9° | 180.0° |
| C16 | C11 | C10 | C9 | 1.6° | 0.3° |
| C16 | C11 | C12 | F15 | 43.6° | 60.0° |
| C16 | C11 | C12 | F14 | 75.6° | 60.1° |
| C16 | C11 | C12 | F13 | 168.2° | 180.0° |
| C16 | C11 | C10 | H5 | 178.4° | 180.0° |
| C11 | C16 | C37 | H16 | 56.4° | 60.8° |
| C11 | C16 | C37 | H17 | 67.3° | 60.7° |
| C39 | C9 | C10 | C11 | 0.4° | 0.3° |
| C39 | C9 | C10 | C8 | 177.2° | 180.0° |
| C39 | C9 | C8 | C7 | 35.3° | 31.0° |
| C39 | C9 | C10 | H5 | 179.6° | 180.0° |
| C12 | C11 | C10 | C9 | 179.6° | 179.7° |
| C11 | C12 | F15 | F14 | 125.6° | 120.0° |
| C11 | C12 | F15 | F13 | 122.9° | 120.0° |
| C11 | C12 | F14 | F13 | 116.3° | 119.9° |
| C12 | C11 | C10 | H5 | 0.4° | 0.0° |
| C11 | C10 | C9 | H5 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 177.5° | 179.7° |
| C10 | C11 | C12 | F15 | 135.3° | 120.0° |
| C10 | C11 | C12 | F14 | 105.5° | 120.0° |
| C10 | C11 | C12 | F13 | 10.7° | 0.0° |
| C10 | C9 | C8 | C7 | 147.4° | 149.0° |
| C10 | C9 | C39 | H18 | 177.6° | 179.7° |
| C9 | C8 | C7 | C6 | 158.9° | 46.2° |
| C8 | C9 | C10 | H5 | 2.5° | 0.0° |
| C8 | C9 | C39 | H18 | 0.3° | 0.3° |
| F15 | C12 | F14 | F13 | 114.2° | 120.0° |
| C8 | C7 | C6 | C5 | 173.2° | 77.2° |
| C8 | C7 | C6 | C40 | 9.7° | 102.8° |
| C7 | C6 | C5 | C40 | 176.9° | 180.0° |
| C7 | C6 | C5 | C4 | 177.7° | 180.0° |
| C7 | C6 | C40 | C41 | 176.2° | 180.0° |
| C7 | C6 | C5 | H4 | 2.3° | 0.1° |
| C7 | C6 | C40 | H19 | 3.8° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | C6 | C40 | C41 | 0.9° | 0.0° |
| C6 | C5 | C4 | H3 | 179.6° | 180.0° |
| C5 | C6 | C40 | H19 | 179.1° | 180.0° |
| C4 | C5 | C6 | C40 | 0.8° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C41 | 1.8° | 0.0° |
| C5 | C4 | C3 | C2 | 178.7° | 179.7° |
| C6 | C40 | C41 | H19 | 180.0° | 180.0° |
| C6 | C40 | C41 | C3 | 3.1° | 0.0° |
| C40 | C6 | C5 | H4 | 179.2° | 180.0° |
| C6 | C40 | C41 | H20 | 176.9° | 179.7° |
| C4 | C3 | C41 | C40 | 3.6° | 0.0° |
| C4 | C3 | C41 | C2 | 176.7° | 179.7° |
| C4 | C3 | C2 | N1 | 98.6° | 89.7° |
| C4 | C3 | C2 | H1 | 141.4° | 30.3° |
| C4 | C3 | C2 | H2 | 21.3° | 150.3° |
| C3 | C4 | C5 | H4 | 179.6° | 179.9° |
| C4 | C3 | C41 | H20 | 176.5° | 179.7° |
| C40 | C41 | C3 | H20 | 180.0° | 179.7° |
| C40 | C41 | C3 | C2 | 179.7° | 179.7° |
| C41 | C3 | C2 | N1 | 78.2° | 90.0° |
| C41 | C3 | C2 | H1 | 41.8° | 150.0° |
| C41 | C3 | C2 | H2 | 161.9° | 30.0° |
| C41 | C3 | C4 | H3 | 178.2° | 180.0° |
| C3 | C41 | C40 | H19 | 176.9° | 180.0° |
| C3 | C2 | N1 | H1 | 119.9° | 120.0° |
| C3 | C2 | N1 | H2 | 119.9° | 120.0° |
| C3 | C2 | N1 | C46 | 163.1° | 170.0° |
| C3 | C2 | N1 | C42 | 77.4° | 65.8° |
| C3 | C2 | H1 | H2 | 120.2° | 120.0° |
| C2 | C3 | C4 | H3 | 1.3° | 0.3° |
| C2 | C3 | C41 | H20 | 0.2° | 0.0° |
| C2 | N1 | C46 | C42 | 112.7° | 124.1° |
| C2 | N1 | C46 | C45 | 166.4° | 174.1° |
| C2 | N1 | C42 | C43 | 177.3° | 174.2° |
| N1 | C2 | H1 | H2 | 120.2° | 120.0° |
| C2 | N1 | C42 | H21 | 62.6° | 54.2° |
| C2 | N1 | C42 | H22 | 57.3° | 65.8° |
| C2 | N1 | C46 | H28 | 45.8° | 65.8° |
| C2 | N1 | C46 | H29 | 73.0° | 54.1° |
| N1 | C46 | C45 | H28 | 120.6° | 120.1° |
| N1 | C46 | C45 | H29 | 120.6° | 120.0° |
| N1 | C46 | C45 | C44 | 53.4° | 59.2° |
| C46 | N1 | C42 | C43 | 57.1° | 61.7° |
| C46 | N1 | C2 | H1 | 77.0° | 70.0° |
| C46 | N1 | C2 | H2 | 43.1° | 50.0° |
| C46 | N1 | C42 | H21 | 177.2° | 178.3° |
| C46 | N1 | C42 | H22 | 62.9° | 58.3° |
| N1 | C46 | C45 | H26 | 173.4° | 60.8° |
| N1 | C46 | C45 | H27 | 66.7° | 179.1° |
| N1 | C46 | H28 | H29 | 118.1° | 119.9° |
| C42 | N1 | C46 | C45 | 53.6° | 61.8° |
| N1 | C42 | C43 | H21 | 120.1° | 120.0° |
| N1 | C42 | C43 | H22 | 120.1° | 120.0° |
| N1 | C42 | C43 | C44 | 62.7° | 59.2° |
| C42 | N1 | C2 | H1 | 42.6° | 54.2° |
| C42 | N1 | C2 | H2 | 162.7° | 174.2° |
| N1 | C42 | H21 | H22 | 119.8° | 120.0° |
| N1 | C42 | C43 | H23 | 57.3° | 60.7° |
| N1 | C42 | C43 | H24 | 177.3° | 179.1° |
| C42 | N1 | C46 | H28 | 66.9° | 58.3° |
| C42 | N1 | C46 | H29 | 174.3° | 178.2° |
| C46 | C45 | C44 | H26 | 120.0° | 120.0° |
| C46 | C45 | C44 | H27 | 120.0° | 120.0° |
| C46 | C45 | C44 | C43 | 56.4° | 57.7° |
| C46 | C45 | C44 | C47 | 170.9° | 177.6° |
| C46 | C45 | C44 | H25 | 66.3° | 62.2° |
| C46 | C45 | H26 | H27 | 119.9° | 120.2° |
| C45 | C46 | H28 | H29 | 118.1° | 120.0° |
| C45 | C44 | C43 | C42 | 62.0° | 57.6° |
| C45 | C44 | C43 | C47 | 114.8° | 120.0° |
| C45 | C44 | C43 | H25 | 122.7° | 119.9° |
| C45 | C44 | C47 | H25 | 122.8° | 120.2° |
| C45 | C44 | C47 | O48 | 148.2° | 65.3° |
| C45 | C44 | C43 | H23 | 58.0° | 62.2° |
| C45 | C44 | C43 | H24 | 177.9° | 177.6° |
| C44 | C45 | H26 | H27 | 119.9° | 120.0° |
| C44 | C45 | C46 | H28 | 67.2° | 60.8° |
| C44 | C45 | C46 | H29 | 174.0° | 179.2° |
| C45 | C44 | C47 | H30 | 27.7° | 54.7° |
| C45 | C44 | C47 | H31 | 91.3° | 174.7° |
| C42 | C43 | C44 | H23 | 120.0° | 119.9° |
| C42 | C43 | C44 | H24 | 120.1° | 120.0° |
| C42 | C43 | C44 | C47 | 176.8° | 177.6° |
| C43 | C42 | H21 | H22 | 119.8° | 120.0° |
| C42 | C43 | H23 | H24 | 119.9° | 120.1° |
| C42 | C43 | C44 | H25 | 60.7° | 62.3° |
| C43 | C44 | C47 | H25 | 122.5° | 120.1° |
| C43 | C44 | C47 | O48 | 97.1° | 175.0° |
| C44 | C43 | C42 | H21 | 177.2° | 179.2° |
| C44 | C43 | C42 | H22 | 57.3° | 60.9° |
| C44 | C43 | H23 | H24 | 119.8° | 120.1° |
| C43 | C44 | C45 | H26 | 176.4° | 62.3° |
| C43 | C44 | C45 | H27 | 63.7° | 177.7° |
| C43 | C44 | C47 | H30 | 142.4° | 65.0° |
| C43 | C44 | C47 | H31 | 23.4° | 55.0° |
| C44 | C47 | O48 | H30 | 120.5° | 120.0° |
| C44 | C47 | O48 | H31 | 120.5° | 120.0° |
| C47 | C44 | C43 | H23 | 56.8° | 57.7° |
| C47 | C44 | C43 | H24 | 63.1° | 62.4° |
| C47 | C44 | C45 | H26 | 69.1° | 57.6° |
| C47 | C44 | C45 | H27 | 50.8° | 62.4° |
| C44 | C47 | H30 | H31 | 118.5° | 120.0° |
| C44 | C47 | O48 | H32 | 180.0° | 180.0° |
| O48 | C47 | C44 | H25 | 25.4° | 54.9° |
| O48 | C47 | H30 | H31 | 118.5° | 120.0° |
| H3 | C4 | C5 | H4 | 0.4° | 0.0° |
| H8 | C23 | C24 | H10 | 120.8° | 24.9° |
| H8 | C23 | C24 | H6 | 0.9° | 148.5° |
| H9 | C23 | C24 | H10 | 0.3° | 97.7° |
| H9 | C23 | C24 | H6 | 122.0° | 25.9° |
| H10 | C24 | C25 | H11 | 0.2° | 25.0° |
| H10 | C24 | C25 | H33 | 120.8° | 96.9° |
| H11 | C25 | C24 | H6 | 121.5° | 148.7° |
| H14 | C33 | C34 | H15 | 0.1° | 0.2° |
| H19 | C40 | C41 | H20 | 3.1° | 0.3° |
| H21 | C42 | C43 | H23 | 62.8° | 59.3° |
| H21 | C42 | C43 | H24 | 57.2° | 60.8° |
| H22 | C42 | C43 | H23 | 177.4° | 179.2° |
| H22 | C42 | C43 | H24 | 62.7° | 59.1° |
| H23 | C43 | C44 | H25 | 179.3° | 177.9° |
| H24 | C43 | C44 | H25 | 59.4° | 57.7° |
| H25 | C44 | C45 | H26 | 53.7° | 177.8° |
| H25 | C44 | C45 | H27 | 173.7° | 57.8° |
| H25 | C44 | C47 | H30 | 95.1° | 174.9° |
| H25 | C44 | C47 | H31 | 145.9° | 65.1° |
| H26 | C45 | C46 | H28 | 52.8° | 179.2° |
| H26 | C45 | C46 | H29 | 66.0° | 59.3° |
| H27 | C45 | C46 | H28 | 172.7° | 59.1° |
| H27 | C45 | C46 | H29 | 53.9° | 60.8° |
| H30 | C47 | O48 | H32 | 59.5° | 59.9° |
| H31 | C47 | O48 | H32 | 59.5° | 60.1° |
| H6 | C24 | C25 | H33 | 0.9° | 26.8° |
