9KO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.54Å | |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | N06 | sing | 1.40Å | 1.45Å | |
| C05 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | N21 | sing | 1.40Å | 1.45Å | |
| N06 | C07 | sing | 1.35Å | 1.46Å | |
| N21 | C47 | sing | 1.47Å | 1.43Å | |
| N21 | C22 | sing | 1.35Å | 1.44Å | |
| C47 | C46 | sing | 1.51Å | 1.53Å | |
| O48 | C22 | doub | 1.22Å | 1.19Å | |
| C22 | N23 | sing | 1.34Å | 1.47Å | |
| C46 | C45 | doub | 1.37Å | 1.41Å | Aromatic |
| C46 | C25 | sing | 1.40Å | 1.37Å | Aromatic |
| C45 | N44 | sing | 1.33Å | 1.34Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.52Å | |
| C07 | O18 | doub | 1.22Å | 1.19Å | |
| C25 | N23 | sing | 1.38Å | 1.49Å | |
| C25 | N26 | doub | 1.33Å | 1.35Å | Aromatic |
| N23 | C24 | sing | 1.46Å | 1.46Å | |
| N44 | C27 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| N26 | C27 | sing | 1.33Å | 1.32Å | Aromatic |
| C27 | N28 | sing | 1.38Å | 1.46Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| N28 | C29 | sing | 1.40Å | 1.47Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| F14 | C13 | sing | 1.40Å | 1.36Å | |
| C31 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | N33 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | F16 | sing | 1.40Å | 1.37Å | |
| C13 | F15 | sing | 1.40Å | 1.35Å | |
| C32 | N33 | sing | 1.32Å | 1.33Å | Aromatic |
| C32 | N35 | sing | 1.39Å | 1.46Å | |
| O41 | C39 | doub | 1.21Å | 1.19Å | |
| N35 | C36 | sing | 1.47Å | 1.49Å | |
| N35 | C43 | sing | 1.47Å | 1.48Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C39 | N38 | sing | 1.35Å | 1.47Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | N38 | sing | 1.47Å | 1.42Å | |
| N38 | C42 | sing | 1.47Å | 1.41Å | |
| C42 | C43 | sing | 1.53Å | 1.51Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C34 | H16 | sing | 1.08Å | 1.08Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C43 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.08Å | 1.08Å | |
| C47 | H29 | sing | 1.09Å | 1.10Å | |
| C47 | H30 | sing | 1.09Å | 1.10Å | |
| N06 | H31 | sing | 0.97Å | 1.00Å | |
| N28 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 118.3° | 120.0° |
| C01 | C02 | C20 | 120.5° | 119.9° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C04 | C03 | C02 | 118.6° | 120.2° |
| C03 | C04 | C05 | 120.5° | 120.0° |
| C04 | C03 | H9 | 120.7° | 119.9° |
| C03 | C04 | H10 | 119.8° | 120.0° |
| C03 | C02 | C20 | 121.2° | 120.1° |
| C02 | C03 | H9 | 120.7° | 120.0° |
| C04 | C05 | N06 | 116.1° | 120.0° |
| C04 | C05 | C19 | 120.9° | 119.9° |
| C05 | C04 | H10 | 119.8° | 120.0° |
| C02 | C20 | C19 | 120.1° | 119.9° |
| C02 | C20 | N21 | 116.2° | 120.0° |
| N06 | C05 | C19 | 122.9° | 120.1° |
| C05 | N06 | C07 | 124.0° | 120.0° |
| C05 | N06 | H31 | 118.0° | 120.0° |
| C05 | C19 | C20 | 118.7° | 119.9° |
| C05 | C19 | H13 | 120.7° | 120.0° |
| C19 | C20 | N21 | 123.7° | 120.0° |
| C20 | C19 | H13 | 120.7° | 120.1° |
| C20 | N21 | C47 | 122.6° | 120.5° |
| C20 | N21 | C22 | 117.2° | 120.5° |
| N06 | C07 | C08 | 117.9° | 119.9° |
| N06 | C07 | O18 | 123.1° | 120.1° |
| C07 | N06 | H31 | 118.0° | 120.0° |
| C47 | N21 | C22 | 120.2° | 119.1° |
| N21 | C47 | C46 | 119.6° | 116.7° |
| N21 | C47 | H29 | 106.9° | 108.0° |
| N21 | C47 | H30 | 106.9° | 108.0° |
| N21 | C22 | O48 | 118.2° | 118.4° |
| N21 | C22 | N23 | 120.0° | 123.2° |
| C47 | C46 | C45 | 122.0° | 122.2° |
| C47 | C46 | C25 | 120.1° | 118.2° |
| C46 | C47 | H29 | 106.9° | 108.0° |
| C46 | C47 | H30 | 106.9° | 108.0° |
| O48 | C22 | N23 | 121.9° | 118.4° |
| C22 | N23 | C25 | 119.5° | 123.0° |
| C22 | N23 | C24 | 121.2° | 118.5° |
| C45 | C46 | C25 | 117.9° | 119.6° |
| C46 | C45 | N44 | 118.9° | 118.6° |
| C46 | C45 | H28 | 120.5° | 120.7° |
| C46 | C25 | N23 | 120.7° | 119.9° |
| C46 | C25 | N26 | 120.2° | 118.6° |
| C45 | N44 | C27 | 121.0° | 120.8° |
| N44 | C45 | H28 | 120.6° | 120.7° |
| C10 | C09 | C08 | 118.7° | 119.9° |
| C09 | C10 | C11 | 120.7° | 120.1° |
| C09 | C10 | H1 | 119.6° | 119.9° |
| C10 | C09 | H11 | 120.7° | 120.1° |
| C09 | C08 | C07 | 122.7° | 120.2° |
| C09 | C08 | C17 | 121.1° | 119.7° |
| C08 | C09 | H11 | 120.7° | 120.0° |
| C08 | C07 | O18 | 119.0° | 120.0° |
| C07 | C08 | C17 | 116.2° | 120.1° |
| N23 | C25 | N26 | 119.1° | 121.5° |
| C25 | N23 | C24 | 119.4° | 118.5° |
| C25 | N26 | C27 | 120.8° | 120.3° |
| N23 | C24 | H3 | 109.5° | 109.5° |
| N23 | C24 | H4 | 109.5° | 109.5° |
| N23 | C24 | H5 | 109.5° | 109.5° |
| N44 | C27 | N26 | 121.3° | 122.1° |
| N44 | C27 | N28 | 118.3° | 118.9° |
| C10 | C11 | C12 | 119.5° | 120.3° |
| C11 | C10 | H1 | 119.6° | 119.9° |
| C10 | C11 | H12 | 120.3° | 119.9° |
| C08 | C17 | C12 | 120.0° | 119.8° |
| C08 | C17 | H2 | 120.0° | 120.1° |
| N26 | C27 | N28 | 120.5° | 119.0° |
| C27 | N28 | C29 | 126.3° | 120.0° |
| C27 | N28 | H32 | 116.9° | 120.0° |
| C11 | C12 | C17 | 120.0° | 120.1° |
| C11 | C12 | C13 | 122.4° | 119.9° |
| C12 | C11 | H12 | 120.3° | 119.8° |
| C17 | C12 | C13 | 117.6° | 120.0° |
| C12 | C17 | H2 | 120.0° | 120.1° |
| N28 | C29 | C30 | 117.8° | 120.4° |
| N28 | C29 | C34 | 122.6° | 120.4° |
| C29 | N28 | H32 | 116.9° | 120.0° |
| C12 | C13 | F14 | 113.8° | 109.5° |
| C12 | C13 | F16 | 110.6° | 109.5° |
| C12 | C13 | F15 | 104.7° | 109.4° |
| C29 | C30 | C31 | 119.1° | 118.4° |
| C30 | C29 | C34 | 119.5° | 119.2° |
| C29 | C30 | H14 | 120.4° | 120.8° |
| C30 | C31 | C32 | 118.7° | 119.2° |
| C31 | C30 | H14 | 120.4° | 120.8° |
| C30 | C31 | H15 | 120.6° | 120.4° |
| C29 | C34 | N33 | 119.2° | 120.8° |
| C29 | C34 | H16 | 120.4° | 119.6° |
| F14 | C13 | F16 | 109.4° | 109.5° |
| F14 | C13 | F15 | 105.3° | 109.5° |
| C31 | C32 | N33 | 120.7° | 120.7° |
| C31 | C32 | N35 | 119.8° | 119.6° |
| C32 | C31 | H15 | 120.6° | 120.4° |
| C34 | N33 | C32 | 122.6° | 121.7° |
| N33 | C34 | H16 | 120.4° | 119.6° |
| F16 | C13 | F15 | 112.8° | 109.4° |
| N33 | C32 | N35 | 119.5° | 119.7° |
| C32 | N35 | C36 | 124.7° | 111.0° |
| C32 | N35 | C43 | 121.2° | 111.0° |
| O41 | C39 | C40 | 119.2° | 120.0° |
| O41 | C39 | N38 | 121.9° | 120.0° |
| C36 | N35 | C43 | 103.5° | 111.2° |
| N35 | C36 | C37 | 112.6° | 109.4° |
| N35 | C36 | H17 | 108.7° | 109.5° |
| N35 | C36 | H18 | 108.7° | 109.5° |
| N35 | C43 | C42 | 108.6° | 109.3° |
| N35 | C43 | H26 | 109.7° | 109.5° |
| N35 | C43 | H27 | 109.7° | 109.5° |
| C40 | C39 | N38 | 118.9° | 120.0° |
| C39 | C40 | H21 | 109.5° | 109.4° |
| C39 | C40 | H22 | 109.5° | 109.5° |
| C39 | C40 | H23 | 109.5° | 109.5° |
| C39 | N38 | C37 | 123.3° | 120.9° |
| C39 | N38 | C42 | 119.0° | 120.9° |
| C36 | C37 | N38 | 119.6° | 108.5° |
| C37 | C36 | H17 | 108.7° | 109.4° |
| C37 | C36 | H18 | 108.7° | 109.5° |
| C36 | C37 | H19 | 106.9° | 109.6° |
| C36 | C37 | H20 | 106.9° | 109.7° |
| C37 | N38 | C42 | 117.7° | 118.2° |
| N38 | C37 | H19 | 106.9° | 109.6° |
| N38 | C37 | H20 | 106.9° | 109.6° |
| N38 | C42 | C43 | 116.1° | 108.5° |
| N38 | C42 | H24 | 107.8° | 109.6° |
| N38 | C42 | H25 | 107.8° | 109.8° |
| C43 | C42 | H24 | 107.8° | 109.6° |
| C43 | C42 | H25 | 107.8° | 109.6° |
| C42 | C43 | H26 | 109.7° | 109.5° |
| C42 | C43 | H27 | 109.7° | 109.5° |
| H3 | C24 | H4 | 109.5° | 109.5° |
| H3 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H17 | C36 | H18 | 109.5° | 109.5° |
| H19 | C37 | H20 | 109.5° | 109.8° |
| H21 | C40 | H22 | 109.5° | 109.5° |
| H21 | C40 | H23 | 109.4° | 109.5° |
| H22 | C40 | H23 | 109.4° | 109.5° |
| H24 | C42 | H25 | 109.5° | 109.6° |
| H26 | C43 | H27 | 109.4° | 109.5° |
| H29 | C47 | H30 | 109.5° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 179.6° | 180.0° |
| C01 | C02 | C03 | C20 | 179.5° | 180.0° |
| C01 | C02 | C20 | C19 | 179.9° | 180.0° |
| C01 | C02 | C20 | N21 | 0.7° | 0.2° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.1° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 0.4° | 0.0° |
| C04 | C03 | C02 | H9 | 180.0° | 180.0° |
| C03 | C04 | C05 | H10 | 180.0° | 180.0° |
| C04 | C03 | C02 | C20 | 0.1° | 0.0° |
| C03 | C04 | C05 | N06 | 178.7° | 180.0° |
| C03 | C04 | C05 | C19 | 2.6° | 0.0° |
| C02 | C03 | C04 | C05 | 1.4° | 0.0° |
| C03 | C02 | C20 | C19 | 0.4° | 0.0° |
| C03 | C02 | C20 | N21 | 179.8° | 179.7° |
| C03 | C02 | C01 | H6 | 89.8° | 90.0° |
| C03 | C02 | C01 | H7 | 150.2° | 30.0° |
| C03 | C02 | C01 | H8 | 30.2° | 150.0° |
| C02 | C03 | C04 | H10 | 178.6° | 180.0° |
| C04 | C05 | N06 | C19 | 176.0° | 180.0° |
| C04 | C05 | C19 | C20 | 2.3° | 0.0° |
| C04 | C05 | N06 | C07 | 162.6° | 146.8° |
| C05 | C04 | C03 | H9 | 178.6° | 180.0° |
| C04 | C05 | C19 | H13 | 177.7° | 179.7° |
| C04 | C05 | N06 | H31 | 17.4° | 33.3° |
| C02 | C20 | C19 | C05 | 0.8° | 0.0° |
| C02 | C20 | C19 | N21 | 179.4° | 179.8° |
| C02 | C20 | N21 | C47 | 94.9° | 89.7° |
| C02 | C20 | N21 | C22 | 82.5° | 90.3° |
| C20 | C02 | C01 | H6 | 89.7° | 90.0° |
| C20 | C02 | C01 | H7 | 30.3° | 150.0° |
| C20 | C02 | C01 | H8 | 150.3° | 30.0° |
| C20 | C02 | C03 | H9 | 179.9° | 180.0° |
| C02 | C20 | C19 | H13 | 179.3° | 179.7° |
| N06 | C05 | C19 | C20 | 178.1° | 179.9° |
| C05 | N06 | C07 | H31 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 175.5° | 175.1° |
| C05 | N06 | C07 | O18 | 2.4° | 4.9° |
| N06 | C05 | C04 | H10 | 1.3° | 0.0° |
| N06 | C05 | C19 | H13 | 1.9° | 0.3° |
| C05 | C19 | C20 | H13 | 180.0° | 179.7° |
| C05 | C19 | C20 | N21 | 178.6° | 179.7° |
| C19 | C05 | N06 | C07 | 13.4° | 33.3° |
| C19 | C05 | C04 | H10 | 177.4° | 180.0° |
| C19 | C05 | N06 | H31 | 166.6° | 146.7° |
| C19 | C20 | N21 | C47 | 85.7° | 90.0° |
| C19 | C20 | N21 | C22 | 96.9° | 90.0° |
| C20 | N21 | C47 | C22 | 177.4° | 180.0° |
| C20 | N21 | C47 | C46 | 177.6° | 180.0° |
| C20 | N21 | C22 | O48 | 2.1° | 0.3° |
| C20 | N21 | C22 | N23 | 178.0° | 180.0° |
| N21 | C20 | C19 | H13 | 1.4° | 0.1° |
| C20 | N21 | C47 | H29 | 56.1° | 58.2° |
| C20 | N21 | C47 | H30 | 61.0° | 58.2° |
| N06 | C07 | C08 | C09 | 18.5° | 0.9° |
| N06 | C07 | C08 | O18 | 178.1° | 180.0° |
| N06 | C07 | C08 | C17 | 157.7° | 180.0° |
| N21 | C47 | C46 | H29 | 121.4° | 121.8° |
| N21 | C47 | C46 | H30 | 121.4° | 121.7° |
| C47 | N21 | C22 | O48 | 179.6° | 179.7° |
| C47 | N21 | C22 | N23 | 0.5° | 0.0° |
| N21 | C47 | C46 | C45 | 179.3° | 179.9° |
| N21 | C47 | C46 | C25 | 0.1° | 0.0° |
| N21 | C47 | H29 | H30 | 115.4° | 116.4° |
| C22 | N21 | C47 | C46 | 0.2° | 0.0° |
| N21 | C22 | O48 | N23 | 179.9° | 179.7° |
| N21 | C22 | N23 | C25 | 0.6° | 0.1° |
| N21 | C22 | N23 | C24 | 179.3° | 180.0° |
| C22 | N21 | C47 | H29 | 121.2° | 121.8° |
| C22 | N21 | C47 | H30 | 121.6° | 121.8° |
| C47 | C46 | C45 | C25 | 179.4° | 179.9° |
| C47 | C46 | C45 | N44 | 179.8° | 180.0° |
| C47 | C46 | C25 | N23 | 0.0° | 0.1° |
| C47 | C46 | C25 | N26 | 179.7° | 180.0° |
| C47 | C46 | C45 | H28 | 0.2° | 0.1° |
| C46 | C47 | H29 | H30 | 115.4° | 116.5° |
| O48 | C22 | N23 | C25 | 179.5° | 179.8° |
| O48 | C22 | N23 | C24 | 0.6° | 0.3° |
| C22 | N23 | C25 | C46 | 0.3° | 0.1° |
| C22 | N23 | C25 | C24 | 179.9° | 179.9° |
| C22 | N23 | C25 | N26 | 179.4° | 179.9° |
| C22 | N23 | C24 | H3 | 180.0° | 0.1° |
| C22 | N23 | C24 | H4 | 60.0° | 120.0° |
| C22 | N23 | C24 | H5 | 60.0° | 120.1° |
| C46 | C45 | N44 | H28 | 180.0° | 179.9° |
| C45 | C46 | C25 | N23 | 179.4° | 180.0° |
| C45 | C46 | C25 | N26 | 0.3° | 0.0° |
| C46 | C45 | N44 | C27 | 0.9° | 0.0° |
| C45 | C46 | C47 | H29 | 57.9° | 58.2° |
| C45 | C46 | C47 | H30 | 59.3° | 58.2° |
| C25 | C46 | C45 | N44 | 0.8° | 0.0° |
| C46 | C25 | N23 | N26 | 179.7° | 180.0° |
| C46 | C25 | N23 | C24 | 179.6° | 180.0° |
| C46 | C25 | N26 | C27 | 0.0° | 0.0° |
| C25 | C46 | C45 | H28 | 179.2° | 180.0° |
| C25 | C46 | C47 | H29 | 121.5° | 121.8° |
| C25 | C46 | C47 | H30 | 121.3° | 121.8° |
| C45 | N44 | C27 | N26 | 0.5° | 0.1° |
| C45 | N44 | C27 | N28 | 179.8° | 179.9° |
| C10 | C09 | C08 | H11 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 178.2° | 179.7° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | C17 | 2.1° | 0.6° |
| C09 | C10 | C11 | C12 | 0.6° | 0.3° |
| C09 | C10 | C11 | H12 | 179.4° | 179.7° |
| C09 | C08 | C07 | C17 | 176.3° | 179.1° |
| C09 | C08 | C07 | O18 | 163.4° | 179.2° |
| C08 | C09 | C10 | C11 | 0.6° | 0.0° |
| C09 | C08 | C17 | C12 | 2.4° | 0.9° |
| C08 | C09 | C10 | H1 | 179.4° | 179.7° |
| C09 | C08 | C17 | H2 | 177.6° | 179.7° |
| C07 | C08 | C17 | C12 | 178.8° | 180.0° |
| C07 | C08 | C17 | H2 | 1.2° | 0.6° |
| C07 | C08 | C09 | H11 | 1.8° | 0.3° |
| C08 | C07 | N06 | H31 | 4.5° | 4.8° |
| O18 | C07 | C08 | C17 | 20.3° | 0.0° |
| O18 | C07 | N06 | H31 | 177.6° | 175.1° |
| N23 | C25 | N26 | C27 | 179.8° | 179.9° |
| C25 | N23 | C24 | H3 | 0.1° | 180.0° |
| C25 | N23 | C24 | H4 | 119.9° | 59.9° |
| C25 | N23 | C24 | H5 | 120.1° | 60.0° |
| N26 | C25 | N23 | C24 | 0.7° | 0.0° |
| C25 | N26 | C27 | N44 | 0.1° | 0.1° |
| C25 | N26 | C27 | N28 | 179.3° | 179.9° |
| N23 | C24 | H3 | H4 | 120.0° | 120.1° |
| N23 | C24 | H3 | H5 | 120.0° | 120.0° |
| N23 | C24 | H4 | H5 | 120.0° | 120.0° |
| N44 | C27 | N26 | N28 | 179.2° | 179.9° |
| N44 | C27 | N28 | C29 | 171.0° | 5.8° |
| C27 | N44 | C45 | H28 | 179.1° | 179.9° |
| N44 | C27 | N28 | H32 | 9.0° | 174.3° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C11 | C12 | C17 | 0.3° | 0.0° |
| C10 | C11 | C12 | C13 | 179.7° | 179.5° |
| C11 | C10 | C09 | H11 | 179.4° | 180.0° |
| C08 | C17 | C12 | C11 | 1.2° | 0.6° |
| C08 | C17 | C12 | H2 | 180.0° | 179.4° |
| C08 | C17 | C12 | C13 | 178.2° | 180.0° |
| C17 | C08 | C09 | H11 | 177.9° | 179.4° |
| N26 | C27 | N28 | C29 | 9.7° | 174.4° |
| N26 | C27 | N28 | H32 | 170.3° | 5.5° |
| C27 | N28 | C29 | H32 | 180.0° | 179.9° |
| C27 | N28 | C29 | C30 | 150.4° | 33.3° |
| C27 | N28 | C29 | C34 | 31.1° | 147.0° |
| C11 | C12 | C17 | C13 | 179.5° | 179.4° |
| C11 | C12 | C13 | F14 | 132.0° | 29.5° |
| C11 | C12 | C13 | F16 | 8.3° | 90.6° |
| C11 | C12 | C13 | F15 | 113.5° | 149.5° |
| C12 | C11 | C10 | H1 | 179.4° | 180.0° |
| C11 | C12 | C17 | H2 | 178.8° | 180.0° |
| C17 | C12 | C13 | F14 | 48.6° | 150.0° |
| C17 | C12 | C13 | F16 | 172.2° | 90.0° |
| C17 | C12 | C13 | F15 | 65.9° | 30.0° |
| C17 | C12 | C11 | H12 | 179.7° | 180.0° |
| N28 | C29 | C30 | C34 | 178.5° | 179.7° |
| N28 | C29 | C30 | C31 | 180.0° | 179.8° |
| N28 | C29 | C34 | N33 | 179.8° | 179.7° |
| N28 | C29 | C30 | H14 | 0.0° | 0.3° |
| N28 | C29 | C34 | H16 | 0.2° | 0.3° |
| C12 | C13 | F14 | F16 | 124.3° | 120.0° |
| C12 | C13 | F14 | F15 | 114.1° | 120.0° |
| C12 | C13 | F16 | F15 | 116.9° | 119.9° |
| C13 | C12 | C17 | H2 | 1.8° | 0.6° |
| C13 | C12 | C11 | H12 | 0.3° | 0.6° |
| C29 | C30 | C31 | H14 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.7° | 0.0° |
| C30 | C29 | C34 | N33 | 1.4° | 0.0° |
| C29 | C30 | C31 | H15 | 179.3° | 180.0° |
| C30 | C29 | C34 | H16 | 178.6° | 180.0° |
| C30 | C29 | N28 | H32 | 29.5° | 146.6° |
| C31 | C30 | C29 | C34 | 1.5° | 0.0° |
| C30 | C31 | C32 | H15 | 180.0° | 180.0° |
| C30 | C31 | C32 | N33 | 0.0° | 0.0° |
| C30 | C31 | C32 | N35 | 179.4° | 180.0° |
| C29 | C34 | N33 | H16 | 180.0° | 180.0° |
| C29 | C34 | N33 | C32 | 0.6° | 0.0° |
| C34 | C29 | C30 | H14 | 178.5° | 179.9° |
| C34 | C29 | N28 | H32 | 148.9° | 33.1° |
| F14 | C13 | F16 | F15 | 116.9° | 120.0° |
| C31 | C32 | N33 | C34 | 0.1° | 0.0° |
| C31 | C32 | N33 | N35 | 179.4° | 180.0° |
| C31 | C32 | N35 | C36 | 8.0° | 180.0° |
| C31 | C32 | N35 | C43 | 146.7° | 55.7° |
| C32 | C31 | C30 | H14 | 179.2° | 179.9° |
| C34 | N33 | C32 | N35 | 179.5° | 180.0° |
| N33 | C32 | N35 | C36 | 171.4° | 0.0° |
| N33 | C32 | N35 | C43 | 32.7° | 124.3° |
| N33 | C32 | C31 | H15 | 180.0° | 180.0° |
| C32 | N33 | C34 | H16 | 179.4° | 180.0° |
| C32 | N35 | C36 | C43 | 144.5° | 124.1° |
| C32 | N35 | C36 | C37 | 162.8° | 172.8° |
| C32 | N35 | C43 | C42 | 141.3° | 172.8° |
| N35 | C32 | C31 | H15 | 0.6° | 0.0° |
| C32 | N35 | C36 | H17 | 42.3° | 67.3° |
| C32 | N35 | C36 | H18 | 76.8° | 52.8° |
| C32 | N35 | C43 | H26 | 98.8° | 52.8° |
| C32 | N35 | C43 | H27 | 21.4° | 67.2° |
| O41 | C39 | C40 | N38 | 179.8° | 180.0° |
| O41 | C39 | N38 | C37 | 0.3° | 5.5° |
| O41 | C39 | N38 | C42 | 179.7° | 174.6° |
| O41 | C39 | C40 | H21 | 0.0° | 174.4° |
| O41 | C39 | C40 | H22 | 120.0° | 54.5° |
| O41 | C39 | C40 | H23 | 120.0° | 65.6° |
| N35 | C36 | C37 | H17 | 120.5° | 120.0° |
| N35 | C36 | C37 | H18 | 120.5° | 120.0° |
| N35 | C36 | C37 | N38 | 8.6° | 53.8° |
| C36 | N35 | C43 | C42 | 72.6° | 63.1° |
| N35 | C36 | H17 | H18 | 118.6° | 120.1° |
| N35 | C36 | C37 | H19 | 112.8° | 65.9° |
| N35 | C36 | C37 | H20 | 130.0° | 173.5° |
| C36 | N35 | C43 | H26 | 47.3° | 176.9° |
| C36 | N35 | C43 | H27 | 167.5° | 56.9° |
| C43 | N35 | C36 | C37 | 52.8° | 63.1° |
| N35 | C43 | C42 | N38 | 47.6° | 53.9° |
| N35 | C43 | C42 | H26 | 119.9° | 119.9° |
| N35 | C43 | C42 | H27 | 119.9° | 120.0° |
| C43 | N35 | C36 | H17 | 173.2° | 56.9° |
| C43 | N35 | C36 | H18 | 67.7° | 176.9° |
| N35 | C43 | C42 | H24 | 73.3° | 173.6° |
| N35 | C43 | C42 | H25 | 168.6° | 66.1° |
| N35 | C43 | H26 | H27 | 120.4° | 120.1° |
| C40 | C39 | N38 | C37 | 179.5° | 174.6° |
| C40 | C39 | N38 | C42 | 0.2° | 5.4° |
| C39 | C40 | H21 | H22 | 120.0° | 120.0° |
| C39 | C40 | H21 | H23 | 120.0° | 120.0° |
| C39 | C40 | H22 | H23 | 120.0° | 120.0° |
| C39 | N38 | C37 | C36 | 159.8° | 128.9° |
| C39 | N38 | C37 | C42 | 179.4° | 180.0° |
| C39 | N38 | C42 | C43 | 179.4° | 128.8° |
| C39 | N38 | C37 | H19 | 38.3° | 111.4° |
| C39 | N38 | C37 | H20 | 78.8° | 9.1° |
| N38 | C39 | C40 | H21 | 179.8° | 5.6° |
| N38 | C39 | C40 | H22 | 60.1° | 125.6° |
| N38 | C39 | C40 | H23 | 59.8° | 114.4° |
| C39 | N38 | C42 | H24 | 58.5° | 9.2° |
| C39 | N38 | C42 | H25 | 59.6° | 111.3° |
| C36 | C37 | N38 | H19 | 121.4° | 119.7° |
| C36 | C37 | N38 | H20 | 121.4° | 119.8° |
| C36 | C37 | N38 | C42 | 19.6° | 51.1° |
| C37 | C36 | H17 | H18 | 118.6° | 120.0° |
| C36 | C37 | H19 | H20 | 115.4° | 120.5° |
| C37 | N38 | C42 | C43 | 0.0° | 51.2° |
| N38 | C37 | C36 | H17 | 129.1° | 66.2° |
| N38 | C37 | C36 | H18 | 111.9° | 173.8° |
| N38 | C37 | H19 | H20 | 115.4° | 120.5° |
| C37 | N38 | C42 | H24 | 120.9° | 170.9° |
| C37 | N38 | C42 | H25 | 121.0° | 68.6° |
| N38 | C42 | C43 | H24 | 120.9° | 119.7° |
| N38 | C42 | C43 | H25 | 120.9° | 119.9° |
| C42 | N38 | C37 | H19 | 141.0° | 68.5° |
| C42 | N38 | C37 | H20 | 101.8° | 170.9° |
| N38 | C42 | H24 | H25 | 117.0° | 120.6° |
| N38 | C42 | C43 | H26 | 72.3° | 173.8° |
| N38 | C42 | C43 | H27 | 167.5° | 66.1° |
| C43 | C42 | H24 | H25 | 117.0° | 120.4° |
| C42 | C43 | H26 | H27 | 120.4° | 120.1° |
| H1 | C10 | C09 | H11 | 0.6° | 0.3° |
| H1 | C10 | C11 | H12 | 0.6° | 0.1° |
| H3 | C24 | H4 | H5 | 120.0° | 119.9° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C03 | C04 | H10 | 1.4° | 0.0° |
| H14 | C30 | C31 | H15 | 0.8° | 0.1° |
| H17 | C36 | C37 | H19 | 7.6° | 174.2° |
| H17 | C36 | C37 | H20 | 109.5° | 53.6° |
| H18 | C36 | C37 | H19 | 126.7° | 54.2° |
| H18 | C36 | C37 | H20 | 9.6° | 66.4° |
| H21 | C40 | H22 | H23 | 119.9° | 120.1° |
| H24 | C42 | C43 | H26 | 166.8° | 66.5° |
| H24 | C42 | C43 | H27 | 46.6° | 53.6° |
| H25 | C42 | C43 | H26 | 48.7° | 53.8° |
| H25 | C42 | C43 | H27 | 71.5° | 174.0° |
