A1L6K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F49 | C46 | sing | 1.35Å | 1.35Å | |
| C43 | N39 | sing | 1.47Å | 1.45Å | |
| C46 | C47 | doub | 1.39Å | 1.38Å | Aromatic |
| C46 | C45 | sing | 1.39Å | 1.38Å | Aromatic |
| C47 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C48 | C42 | doub | 1.39Å | 1.38Å | Aromatic |
| C44 | C42 | sing | 1.39Å | 1.38Å | Aromatic |
| N39 | N38 | sing | 1.40Å | 1.33Å | |
| N39 | C40 | sing | 1.35Å | 1.32Å | |
| C42 | N38 | sing | 1.40Å | 1.45Å | |
| N38 | C37 | sing | 1.35Å | 1.30Å | |
| C40 | C36 | doub | 1.38Å | 1.41Å | |
| C37 | C36 | sing | 1.47Å | 1.41Å | |
| C37 | O41 | doub | 1.22Å | 1.19Å | |
| C36 | C34 | sing | 1.47Å | 1.53Å | |
| C34 | O35 | doub | 1.22Å | 1.18Å | |
| C34 | N30 | sing | 1.35Å | 1.46Å | |
| N30 | C27 | sing | 1.40Å | 1.46Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | O23 | sing | 1.36Å | 1.41Å | |
| O23 | C06 | sing | 1.36Å | 1.40Å | |
| N05 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
| N05 | C06 | sing | 1.33Å | 1.34Å | Aromatic |
| C04 | N03 | sing | 1.32Å | 1.32Å | Aromatic |
| C06 | C01 | doub | 1.40Å | 1.42Å | Aromatic |
| N03 | C02 | doub | 1.33Å | 1.36Å | Aromatic |
| C01 | C02 | sing | 1.41Å | 1.38Å | Aromatic |
| C01 | C07 | sing | 1.47Å | 1.49Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C02 | O09 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | N31 | sing | 1.47Å | 1.45Å | |
| C11 | C07 | sing | 1.48Å | 1.55Å | |
| C11 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C08 | doub | 1.37Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.51Å | 1.53Å | |
| O09 | C08 | sing | 1.35Å | 1.30Å | Aromatic |
| C17 | N31 | sing | 1.47Å | 1.45Å | |
| C08 | C10 | sing | 1.48Å | 1.53Å | |
| N31 | C32 | sing | 1.47Å | 1.45Å | |
| C10 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.30Å | Aromatic |
| C18 | N19 | doub | 1.31Å | 1.31Å | Aromatic |
| N20 | N19 | sing | 1.40Å | 1.33Å | Aromatic |
| N20 | C22 | sing | 1.46Å | 1.45Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C40 | H12 | sing | 1.08Å | 1.08Å | |
| C43 | H13 | sing | 1.09Å | 1.10Å | |
| C43 | H14 | sing | 1.09Å | 1.10Å | |
| C43 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C44 | H27 | sing | 1.08Å | 1.08Å | |
| C45 | H28 | sing | 1.08Å | 1.08Å | |
| C47 | H29 | sing | 1.08Å | 1.08Å | |
| C48 | H30 | sing | 1.08Å | 1.08Å | |
| N30 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F49 | C46 | C47 | 119.6° | 120.0° |
| F49 | C46 | C45 | 118.8° | 120.0° |
| C43 | N39 | N38 | 125.1° | 125.0° |
| C43 | N39 | C40 | 125.1° | 125.0° |
| N39 | C43 | H13 | 109.5° | 109.5° |
| N39 | C43 | H14 | 109.5° | 109.4° |
| N39 | C43 | H15 | 109.5° | 109.5° |
| C47 | C46 | C45 | 121.6° | 120.1° |
| C46 | C47 | C48 | 119.0° | 120.1° |
| C46 | C47 | H29 | 120.5° | 119.9° |
| C46 | C45 | C44 | 119.4° | 120.1° |
| C46 | C45 | H28 | 120.3° | 119.9° |
| C47 | C48 | C42 | 119.4° | 120.0° |
| C48 | C47 | H29 | 120.5° | 120.0° |
| C47 | C48 | H30 | 120.3° | 120.0° |
| C45 | C44 | C42 | 119.2° | 119.9° |
| C45 | C44 | H27 | 120.4° | 120.0° |
| C44 | C45 | H28 | 120.3° | 120.0° |
| C48 | C42 | C44 | 121.4° | 119.9° |
| C48 | C42 | N38 | 119.2° | 120.1° |
| C42 | C48 | H30 | 120.3° | 120.0° |
| C44 | C42 | N38 | 119.4° | 120.0° |
| C42 | C44 | H27 | 120.4° | 120.1° |
| N38 | N39 | C40 | 109.8° | 109.9° |
| N39 | N38 | C42 | 123.1° | 125.7° |
| N39 | N38 | C37 | 111.2° | 108.6° |
| N39 | C40 | C36 | 106.5° | 108.5° |
| N39 | C40 | H12 | 126.8° | 125.8° |
| C42 | N38 | C37 | 125.8° | 125.7° |
| N38 | C37 | C36 | 106.8° | 106.5° |
| N38 | C37 | O41 | 126.6° | 126.7° |
| C40 | C36 | C37 | 105.6° | 106.5° |
| C40 | C36 | C34 | 129.0° | 126.8° |
| C36 | C40 | H12 | 126.7° | 125.7° |
| C36 | C37 | O41 | 126.5° | 126.7° |
| C37 | C36 | C34 | 125.3° | 126.7° |
| C36 | C34 | O35 | 121.6° | 120.0° |
| C36 | C34 | N30 | 114.5° | 120.0° |
| O35 | C34 | N30 | 123.9° | 120.0° |
| C34 | N30 | C27 | 127.1° | 120.0° |
| C34 | N30 | H31 | 116.4° | 120.1° |
| N30 | C27 | C28 | 122.7° | 120.0° |
| N30 | C27 | C26 | 116.7° | 120.0° |
| C27 | N30 | H31 | 116.5° | 120.0° |
| C28 | C27 | C26 | 120.6° | 120.0° |
| C27 | C28 | C29 | 119.5° | 120.0° |
| C27 | C28 | H11 | 120.2° | 120.0° |
| C27 | C26 | C25 | 120.0° | 120.0° |
| C27 | C26 | H10 | 120.0° | 120.0° |
| C28 | C29 | C24 | 119.8° | 120.0° |
| C29 | C28 | H11 | 120.2° | 120.0° |
| C28 | C29 | H20 | 120.1° | 120.0° |
| C26 | C25 | C24 | 119.8° | 120.1° |
| C26 | C25 | H9 | 120.1° | 120.0° |
| C25 | C26 | H10 | 120.0° | 120.1° |
| C29 | C24 | C25 | 120.3° | 120.0° |
| C29 | C24 | O23 | 121.8° | 119.9° |
| C24 | C29 | H20 | 120.1° | 120.0° |
| C25 | C24 | O23 | 117.8° | 120.0° |
| C24 | C25 | H9 | 120.1° | 120.0° |
| C24 | O23 | C06 | 113.2° | 118.0° |
| O23 | C06 | N05 | 121.1° | 120.8° |
| O23 | C06 | C01 | 118.7° | 120.8° |
| C04 | N05 | C06 | 121.3° | 120.9° |
| N05 | C04 | N03 | 120.9° | 122.7° |
| N05 | C04 | H16 | 119.5° | 118.6° |
| N05 | C06 | C01 | 120.2° | 118.4° |
| C04 | N03 | C02 | 120.7° | 120.7° |
| N03 | C04 | H16 | 119.5° | 118.6° |
| C06 | C01 | C02 | 115.9° | 118.9° |
| C06 | C01 | C07 | 138.7° | 135.3° |
| N03 | C02 | C01 | 121.0° | 118.4° |
| N03 | C02 | O09 | 130.0° | 133.9° |
| C02 | C01 | C07 | 105.4° | 105.8° |
| C01 | C02 | O09 | 109.0° | 107.7° |
| C01 | C07 | C11 | 127.5° | 127.1° |
| C01 | C07 | C08 | 103.7° | 105.7° |
| C12 | C13 | C14 | 119.5° | 120.1° |
| C13 | C12 | C11 | 121.7° | 119.9° |
| C13 | C12 | H1 | 119.1° | 120.1° |
| C12 | C13 | H2 | 120.3° | 119.9° |
| C13 | C14 | C15 | 119.9° | 120.3° |
| C14 | C13 | H2 | 120.3° | 120.0° |
| C13 | C14 | H3 | 120.1° | 119.9° |
| C12 | C11 | C07 | 118.0° | 120.2° |
| C12 | C11 | C16 | 118.5° | 119.7° |
| C11 | C12 | H1 | 119.1° | 120.0° |
| C02 | O09 | C08 | 112.3° | 111.3° |
| C14 | C15 | C16 | 120.5° | 120.1° |
| C14 | C15 | C17 | 117.5° | 119.9° |
| C15 | C14 | H3 | 120.1° | 119.8° |
| C33 | N31 | C17 | 107.8° | 111.0° |
| C33 | N31 | C32 | 109.1° | 111.0° |
| N31 | C33 | H24 | 109.5° | 109.4° |
| N31 | C33 | H25 | 109.5° | 109.5° |
| N31 | C33 | H26 | 109.5° | 109.5° |
| C07 | C11 | C16 | 123.5° | 120.1° |
| C11 | C07 | C08 | 128.8° | 127.2° |
| C11 | C16 | C15 | 120.0° | 119.9° |
| C11 | C16 | H4 | 120.0° | 120.0° |
| C07 | C08 | O09 | 109.6° | 109.5° |
| C07 | C08 | C10 | 130.0° | 125.2° |
| C16 | C15 | C17 | 122.1° | 119.9° |
| C15 | C16 | H4 | 120.0° | 120.1° |
| C15 | C17 | N31 | 113.1° | 109.5° |
| C15 | C17 | H17 | 108.6° | 109.5° |
| C15 | C17 | H18 | 108.6° | 109.5° |
| O09 | C08 | C10 | 120.4° | 125.2° |
| C17 | N31 | C32 | 108.2° | 111.1° |
| N31 | C17 | H17 | 108.6° | 109.4° |
| N31 | C17 | H18 | 108.6° | 109.4° |
| C08 | C10 | C21 | 124.1° | 126.3° |
| C08 | C10 | C18 | 131.2° | 126.4° |
| N31 | C32 | H21 | 109.5° | 109.4° |
| N31 | C32 | H22 | 109.5° | 109.5° |
| N31 | C32 | H23 | 109.5° | 109.4° |
| C21 | C10 | C18 | 104.7° | 107.3° |
| C10 | C21 | N20 | 107.9° | 107.4° |
| C10 | C21 | H5 | 126.0° | 126.3° |
| C10 | C18 | N19 | 107.0° | 108.1° |
| C10 | C18 | H19 | 126.5° | 125.9° |
| C21 | N20 | N19 | 109.8° | 108.3° |
| C21 | N20 | C22 | 124.3° | 125.8° |
| N20 | C21 | H5 | 126.0° | 126.3° |
| C18 | N19 | N20 | 110.7° | 108.8° |
| N19 | C18 | H19 | 126.5° | 125.9° |
| N19 | N20 | C22 | 125.9° | 125.8° |
| N20 | C22 | H6 | 109.5° | 109.5° |
| N20 | C22 | H7 | 109.5° | 109.5° |
| N20 | C22 | H8 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H8 | 109.4° | 109.4° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H13 | C43 | H14 | 109.5° | 109.5° |
| H13 | C43 | H15 | 109.4° | 109.4° |
| H14 | C43 | H15 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H21 | C32 | H23 | 109.5° | 109.5° |
| H22 | C32 | H23 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.5° |
| H24 | C33 | H26 | 109.5° | 109.5° |
| H25 | C33 | H26 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F49 | C46 | C47 | C45 | 179.7° | 179.7° |
| F49 | C46 | C47 | C48 | 179.7° | 179.9° |
| F49 | C46 | C45 | C44 | 179.8° | 179.7° |
| F49 | C46 | C45 | H28 | 0.2° | 0.3° |
| F49 | C46 | C47 | H29 | 0.3° | 0.3° |
| C43 | N39 | N38 | C40 | 179.9° | 179.8° |
| C43 | N39 | N38 | C42 | 0.1° | 0.0° |
| C43 | N39 | N38 | C37 | 179.9° | 179.8° |
| C43 | N39 | C40 | C36 | 180.0° | 180.0° |
| C43 | N39 | C40 | H12 | 0.0° | 0.0° |
| N39 | C43 | H13 | H14 | 120.0° | 120.0° |
| N39 | C43 | H13 | H15 | 120.0° | 120.0° |
| N39 | C43 | H14 | H15 | 120.0° | 120.0° |
| C46 | C47 | C48 | H29 | 180.0° | 179.8° |
| C47 | C46 | C45 | C44 | 0.0° | 0.0° |
| C46 | C47 | C48 | C42 | 0.2° | 0.5° |
| C47 | C46 | C45 | H28 | 180.0° | 180.0° |
| C46 | C47 | C48 | H30 | 179.8° | 180.0° |
| C45 | C46 | C47 | C48 | 0.0° | 0.3° |
| C46 | C45 | C44 | H28 | 180.0° | 180.0° |
| C46 | C45 | C44 | C42 | 0.1° | 0.0° |
| C46 | C45 | C44 | H27 | 179.9° | 180.0° |
| C45 | C46 | C47 | H29 | 180.0° | 180.0° |
| C47 | C48 | C42 | H30 | 180.0° | 179.5° |
| C47 | C48 | C42 | C44 | 0.4° | 0.5° |
| C47 | C48 | C42 | N38 | 179.3° | 179.7° |
| C45 | C44 | C42 | C48 | 0.3° | 0.2° |
| C45 | C44 | C42 | H27 | 180.0° | 180.0° |
| C45 | C44 | C42 | N38 | 179.3° | 180.0° |
| C48 | C42 | C44 | N38 | 179.0° | 179.8° |
| C48 | C42 | N38 | N39 | 92.3° | 27.2° |
| C48 | C42 | N38 | C37 | 87.6° | 152.6° |
| C48 | C42 | C44 | H27 | 179.7° | 179.7° |
| C42 | C48 | C47 | H29 | 179.8° | 179.7° |
| C44 | C42 | N38 | N39 | 86.7° | 153.1° |
| C44 | C42 | N38 | C37 | 93.4° | 27.1° |
| C42 | C44 | C45 | H28 | 179.9° | 180.0° |
| C44 | C42 | C48 | H30 | 179.6° | 180.0° |
| N39 | N38 | C42 | C37 | 179.9° | 179.8° |
| N38 | N39 | C40 | C36 | 0.0° | 0.2° |
| N39 | N38 | C37 | C36 | 0.1° | 0.1° |
| N39 | N38 | C37 | O41 | 179.9° | 179.9° |
| N38 | N39 | C40 | H12 | 179.9° | 179.8° |
| N38 | N39 | C43 | H13 | 180.0° | 84.6° |
| N38 | N39 | C43 | H14 | 60.0° | 155.4° |
| N38 | N39 | C43 | H15 | 60.0° | 35.4° |
| C40 | N39 | N38 | C42 | 179.9° | 179.8° |
| C40 | N39 | N38 | C37 | 0.0° | 0.0° |
| N39 | C40 | C36 | H12 | 180.0° | 180.0° |
| N39 | C40 | C36 | C37 | 0.1° | 0.3° |
| N39 | C40 | C36 | C34 | 179.9° | 180.0° |
| C40 | N39 | C43 | H13 | 0.1° | 95.1° |
| C40 | N39 | C43 | H14 | 120.0° | 24.9° |
| C40 | N39 | C43 | H15 | 120.1° | 144.9° |
| C42 | N38 | C37 | C36 | 179.9° | 180.0° |
| C42 | N38 | C37 | O41 | 0.0° | 0.0° |
| N38 | C42 | C44 | H27 | 0.7° | 0.0° |
| N38 | C42 | C48 | H30 | 0.7° | 0.3° |
| N38 | C37 | C36 | C40 | 0.1° | 0.2° |
| N38 | C37 | C36 | O41 | 179.8° | 180.0° |
| N38 | C37 | C36 | C34 | 179.9° | 180.0° |
| C40 | C36 | C37 | C34 | 180.0° | 179.8° |
| C40 | C36 | C37 | O41 | 179.9° | 179.7° |
| C40 | C36 | C34 | O35 | 3.3° | 0.3° |
| C40 | C36 | C34 | N30 | 176.3° | 179.7° |
| C37 | C36 | C34 | O35 | 176.8° | 180.0° |
| C37 | C36 | C34 | N30 | 3.6° | 0.0° |
| C37 | C36 | C40 | H12 | 179.9° | 179.7° |
| O41 | C37 | C36 | C34 | 0.1° | 0.0° |
| C36 | C34 | O35 | N30 | 179.6° | 180.0° |
| C36 | C34 | N30 | C27 | 180.0° | 174.0° |
| C34 | C36 | C40 | H12 | 0.2° | 0.1° |
| C36 | C34 | N30 | H31 | 0.0° | 6.0° |
| O35 | C34 | N30 | C27 | 0.4° | 6.0° |
| O35 | C34 | N30 | H31 | 179.6° | 174.0° |
| C34 | N30 | C27 | H31 | 180.0° | 180.0° |
| C34 | N30 | C27 | C28 | 4.8° | 145.7° |
| C34 | N30 | C27 | C26 | 175.5° | 34.6° |
| N30 | C27 | C28 | C26 | 179.8° | 179.7° |
| N30 | C27 | C28 | C29 | 179.7° | 180.0° |
| N30 | C27 | C26 | C25 | 179.9° | 179.7° |
| N30 | C27 | C26 | H10 | 0.1° | 0.3° |
| N30 | C27 | C28 | H11 | 0.3° | 0.3° |
| C27 | C28 | C29 | H11 | 180.0° | 179.7° |
| C28 | C27 | C26 | C25 | 0.4° | 0.0° |
| C27 | C28 | C29 | C24 | 0.7° | 0.5° |
| C28 | C27 | C26 | H10 | 179.7° | 180.0° |
| C27 | C28 | C29 | H20 | 179.3° | 180.0° |
| C28 | C27 | N30 | H31 | 175.2° | 34.4° |
| C26 | C27 | C28 | C29 | 0.0° | 0.3° |
| C27 | C26 | C25 | H10 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | H9 | 179.9° | 180.0° |
| C26 | C27 | C28 | H11 | 180.0° | 180.0° |
| C26 | C27 | N30 | H31 | 4.6° | 145.3° |
| C28 | C29 | C24 | H20 | 180.0° | 179.5° |
| C28 | C29 | C24 | C25 | 1.0° | 0.5° |
| C28 | C29 | C24 | O23 | 180.0° | 179.7° |
| C26 | C25 | C24 | C29 | 0.6° | 0.2° |
| C26 | C25 | C24 | H9 | 180.0° | 180.0° |
| C26 | C25 | C24 | O23 | 179.6° | 180.0° |
| C29 | C24 | C25 | O23 | 179.0° | 179.7° |
| C29 | C24 | O23 | C06 | 63.3° | 114.2° |
| C29 | C24 | C25 | H9 | 179.4° | 179.8° |
| C24 | C29 | C28 | H11 | 179.3° | 179.7° |
| C25 | C24 | O23 | C06 | 117.7° | 66.0° |
| C24 | C25 | C26 | H10 | 179.9° | 180.0° |
| C25 | C24 | C29 | H20 | 179.0° | 180.0° |
| C24 | O23 | C06 | N05 | 10.8° | 5.2° |
| C24 | O23 | C06 | C01 | 169.3° | 174.8° |
| O23 | C24 | C25 | H9 | 0.4° | 0.0° |
| O23 | C24 | C29 | H20 | 0.0° | 0.3° |
| O23 | C06 | N05 | C04 | 179.5° | 179.5° |
| O23 | C06 | N05 | C01 | 179.9° | 180.0° |
| O23 | C06 | C01 | C02 | 179.9° | 180.0° |
| O23 | C06 | C01 | C07 | 0.4° | 0.3° |
| N05 | C04 | N03 | H16 | 180.0° | 179.5° |
| C04 | N05 | C06 | C01 | 0.6° | 0.5° |
| N05 | C04 | N03 | C02 | 0.3° | 0.5° |
| C06 | N05 | C04 | N03 | 0.7° | 0.8° |
| N05 | C06 | C01 | C02 | 0.2° | 0.0° |
| N05 | C06 | C01 | C07 | 179.7° | 179.7° |
| C06 | N05 | C04 | H16 | 179.3° | 179.7° |
| C04 | N03 | C02 | C01 | 0.2° | 0.0° |
| C04 | N03 | C02 | O09 | 179.8° | 180.0° |
| C06 | C01 | C02 | N03 | 0.2° | 0.3° |
| C06 | C01 | C02 | C07 | 179.7° | 179.8° |
| C06 | C01 | C02 | O09 | 179.9° | 179.7° |
| C06 | C01 | C07 | C11 | 1.8° | 0.2° |
| C06 | C01 | C07 | C08 | 179.8° | 179.7° |
| N03 | C02 | C01 | O09 | 179.7° | 180.0° |
| N03 | C02 | C01 | C07 | 179.5° | 180.0° |
| N03 | C02 | O09 | C08 | 180.0° | 180.0° |
| C02 | N03 | C04 | H16 | 179.7° | 180.0° |
| C02 | C01 | C07 | C11 | 178.6° | 179.9° |
| C02 | C01 | C07 | C08 | 0.7° | 0.0° |
| C01 | C02 | O09 | C08 | 0.4° | 0.0° |
| C01 | C07 | C11 | C12 | 33.8° | 64.7° |
| C07 | C01 | C02 | O09 | 0.2° | 0.0° |
| C01 | C07 | C11 | C08 | 177.4° | 179.9° |
| C01 | C07 | C11 | C16 | 148.1° | 115.0° |
| C01 | C07 | C08 | O09 | 0.9° | 0.0° |
| C01 | C07 | C08 | C10 | 179.6° | 180.0° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C13 | C12 | C11 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C11 | C07 | 179.4° | 180.0° |
| C13 | C12 | C11 | C16 | 1.3° | 0.3° |
| C12 | C13 | C14 | H3 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.0° |
| C13 | C14 | C15 | H3 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.2° |
| C13 | C14 | C15 | C17 | 179.6° | 180.0° |
| C14 | C13 | C12 | H1 | 179.2° | 180.0° |
| C12 | C11 | C07 | C16 | 178.0° | 179.7° |
| C12 | C11 | C07 | C08 | 143.6° | 115.2° |
| C12 | C11 | C16 | C15 | 1.1° | 0.5° |
| C11 | C12 | C13 | H2 | 179.1° | 180.0° |
| C12 | C11 | C16 | H4 | 179.0° | 179.7° |
| C02 | O09 | C08 | C07 | 0.9° | 0.0° |
| C02 | O09 | C08 | C10 | 179.7° | 180.0° |
| C14 | C15 | C16 | C11 | 0.5° | 0.5° |
| C14 | C15 | C16 | C17 | 179.5° | 179.8° |
| C14 | C15 | C17 | N31 | 150.6° | 90.0° |
| C15 | C14 | C13 | H2 | 179.7° | 180.0° |
| C14 | C15 | C16 | H4 | 179.5° | 179.7° |
| C14 | C15 | C17 | H17 | 30.1° | 150.0° |
| C14 | C15 | C17 | H18 | 88.9° | 29.9° |
| C33 | N31 | C17 | C15 | 94.7° | 66.0° |
| C33 | N31 | C17 | C32 | 117.8° | 124.0° |
| C33 | N31 | C17 | H17 | 25.9° | 174.0° |
| C33 | N31 | C17 | H18 | 144.8° | 54.0° |
| C33 | N31 | C32 | H21 | 180.0° | 64.0° |
| C33 | N31 | C32 | H22 | 60.0° | 56.0° |
| C33 | N31 | C32 | H23 | 60.0° | 176.0° |
| N31 | C33 | H24 | H25 | 120.0° | 120.0° |
| N31 | C33 | H24 | H26 | 120.0° | 120.0° |
| N31 | C33 | H25 | H26 | 120.0° | 120.0° |
| C07 | C11 | C16 | C15 | 179.1° | 179.8° |
| C11 | C07 | C08 | O09 | 178.8° | 179.9° |
| C11 | C07 | C08 | C10 | 2.5° | 0.1° |
| C07 | C11 | C12 | H1 | 0.6° | 0.0° |
| C07 | C11 | C16 | H4 | 0.9° | 0.0° |
| C16 | C11 | C07 | C08 | 34.4° | 65.1° |
| C11 | C16 | C15 | H4 | 180.0° | 179.8° |
| C11 | C16 | C15 | C17 | 180.0° | 179.7° |
| C16 | C11 | C12 | H1 | 178.8° | 179.8° |
| C07 | C08 | O09 | C10 | 178.8° | 180.0° |
| C07 | C08 | C10 | C21 | 150.5° | 180.0° |
| C07 | C08 | C10 | C18 | 30.7° | 0.2° |
| C16 | C15 | C17 | N31 | 29.9° | 89.8° |
| C16 | C15 | C14 | H3 | 179.9° | 179.7° |
| C16 | C15 | C17 | H17 | 150.5° | 30.2° |
| C16 | C15 | C17 | H18 | 90.6° | 150.3° |
| C15 | C17 | N31 | H17 | 120.5° | 120.0° |
| C15 | C17 | N31 | H18 | 120.5° | 120.0° |
| C15 | C17 | N31 | C32 | 147.5° | 170.0° |
| C17 | C15 | C14 | H3 | 0.4° | 0.1° |
| C17 | C15 | C16 | H4 | 0.0° | 0.0° |
| C15 | C17 | H17 | H18 | 118.3° | 120.0° |
| O09 | C08 | C10 | C21 | 28.1° | 0.0° |
| O09 | C08 | C10 | C18 | 150.8° | 179.8° |
| N31 | C17 | H17 | H18 | 118.4° | 119.9° |
| C17 | N31 | C32 | H21 | 63.0° | 60.0° |
| C17 | N31 | C32 | H22 | 177.0° | 180.0° |
| C17 | N31 | C32 | H23 | 57.0° | 60.0° |
| C17 | N31 | C33 | H24 | 180.0° | 60.0° |
| C17 | N31 | C33 | H25 | 60.0° | 180.0° |
| C17 | N31 | C33 | H26 | 60.0° | 60.0° |
| C08 | C10 | C21 | C18 | 179.1° | 179.8° |
| C08 | C10 | C21 | N20 | 179.5° | 179.8° |
| C08 | C10 | C18 | N19 | 179.5° | 179.8° |
| C08 | C10 | C21 | H5 | 0.5° | 0.2° |
| C08 | C10 | C18 | H19 | 0.5° | 0.2° |
| C32 | N31 | C17 | H17 | 91.9° | 50.0° |
| C32 | N31 | C17 | H18 | 27.0° | 70.0° |
| N31 | C32 | H21 | H22 | 120.0° | 120.0° |
| N31 | C32 | H21 | H23 | 120.0° | 120.0° |
| N31 | C32 | H22 | H23 | 120.0° | 120.0° |
| C32 | N31 | C33 | H24 | 62.8° | 176.0° |
| C32 | N31 | C33 | H25 | 177.2° | 56.0° |
| C32 | N31 | C33 | H26 | 57.3° | 64.0° |
| C10 | C21 | N20 | H5 | 180.0° | 180.0° |
| C21 | C10 | C18 | N19 | 0.5° | 0.1° |
| C10 | C21 | N20 | N19 | 0.1° | 0.0° |
| C10 | C21 | N20 | C22 | 179.8° | 180.0° |
| C21 | C10 | C18 | H19 | 179.4° | 180.0° |
| C18 | C10 | C21 | N20 | 0.4° | 0.0° |
| C10 | C18 | N19 | H19 | 180.0° | 180.0° |
| C10 | C18 | N19 | N20 | 0.5° | 0.1° |
| C18 | C10 | C21 | H5 | 179.6° | 180.0° |
| C21 | N20 | N19 | C18 | 0.2° | 0.1° |
| C21 | N20 | N19 | C22 | 179.9° | 179.9° |
| C21 | N20 | C22 | H6 | 179.9° | 90.0° |
| C21 | N20 | C22 | H7 | 60.1° | 150.0° |
| C21 | N20 | C22 | H8 | 60.0° | 29.9° |
| C18 | N19 | N20 | C22 | 179.9° | 180.0° |
| N19 | N20 | C21 | H5 | 179.8° | 180.0° |
| N19 | N20 | C22 | H6 | 0.0° | 90.1° |
| N19 | N20 | C22 | H7 | 120.0° | 30.0° |
| N19 | N20 | C22 | H8 | 120.0° | 150.0° |
| N20 | N19 | C18 | H19 | 179.5° | 180.0° |
| C22 | N20 | C21 | H5 | 0.2° | 0.0° |
| N20 | C22 | H6 | H7 | 120.0° | 120.1° |
| N20 | C22 | H6 | H8 | 120.0° | 120.0° |
| N20 | C22 | H7 | H8 | 120.0° | 120.1° |
| H1 | C12 | C13 | H2 | 0.9° | 0.0° |
| H2 | C13 | C14 | H3 | 0.3° | 0.1° |
| H6 | C22 | H7 | H8 | 120.0° | 119.9° |
| H9 | C25 | C26 | H10 | 0.1° | 0.0° |
| H11 | C28 | C29 | H20 | 0.7° | 0.3° |
| H13 | C43 | H14 | H15 | 120.0° | 120.0° |
| H21 | C32 | H22 | H23 | 120.0° | 120.0° |
| H24 | C33 | H25 | H26 | 120.0° | 120.0° |
| H27 | C44 | C45 | H28 | 0.1° | 0.0° |
| H29 | C47 | C48 | H30 | 0.2° | 0.2° |
