A1AAD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C01 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.55Å | |
| C02 | N04 | sing | 1.47Å | 1.44Å | |
| C02 | C05 | sing | 1.53Å | 1.53Å | |
| C03 | O14 | doub | 1.21Å | 1.22Å | |
| C03 | N15 | sing | 1.35Å | 1.39Å | |
| N04 | C06 | sing | 1.37Å | 1.35Å | |
| C05 | C13 | sing | 1.53Å | 1.55Å | |
| C06 | N07 | doub | 1.30Å | 1.28Å | |
| C06 | N15 | sing | 1.37Å | 1.36Å | |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C28 | sing | 1.48Å | 1.46Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C26 | sing | 1.53Å | 1.55Å | |
| C13 | C27 | sing | 1.53Å | 1.53Å | |
| C13 | C35 | sing | 1.53Å | 1.51Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | O25 | sing | 1.45Å | 1.44Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | CL24 | sing | 1.74Å | 1.72Å | |
| C22 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C29 | sing | 1.48Å | 1.46Å | |
| O25 | C43 | sing | 1.35Å | 1.35Å | |
| C28 | C36 | sing | 1.41Å | 1.42Å | Aromatic |
| C28 | N39 | doub | 1.32Å | 1.34Å | Aromatic |
| C29 | N30 | doub | 1.32Å | 1.32Å | Aromatic |
| C29 | N33 | sing | 1.35Å | 1.38Å | Aromatic |
| N30 | C31 | sing | 1.33Å | 1.36Å | Aromatic |
| C31 | N32 | doub | 1.31Å | 1.33Å | Aromatic |
| N32 | N33 | sing | 1.40Å | 1.35Å | Aromatic |
| N33 | C34 | sing | 1.46Å | 1.46Å | |
| C34 | F53 | sing | 1.40Å | 1.36Å | |
| C34 | F54 | sing | 1.40Å | 1.36Å | |
| C35 | F50 | sing | 1.40Å | 1.34Å | |
| C35 | F51 | sing | 1.40Å | 1.35Å | |
| C35 | F52 | sing | 1.40Å | 1.35Å | |
| C36 | N37 | doub | 1.31Å | 1.34Å | Aromatic |
| N37 | N38 | sing | 1.29Å | 1.35Å | Aromatic |
| N38 | N39 | sing | 1.29Å | 1.35Å | Aromatic |
| N38 | C40 | sing | 1.46Å | 1.44Å | |
| C40 | C41 | sing | 1.53Å | 1.51Å | |
| C40 | C42 | sing | 1.53Å | 1.51Å | |
| C41 | C42 | sing | 1.53Å | 1.50Å | |
| C43 | O44 | doub | 1.22Å | 1.22Å | |
| C43 | N45 | sing | 1.35Å | 1.37Å | |
| N45 | C46 | sing | 1.47Å | 1.45Å | |
| C46 | C47 | sing | 1.53Å | 1.50Å | |
| C46 | C55 | sing | 1.53Å | 1.52Å | |
| C46 | C56 | sing | 1.53Å | 1.52Å | |
| C47 | F48 | sing | 1.40Å | 1.35Å | |
| C47 | F49 | sing | 1.40Å | 1.35Å | |
| C55 | C56 | sing | 1.53Å | 1.50Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C41 | H23 | sing | 1.09Å | 1.10Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C42 | H26 | sing | 1.09Å | 1.10Å | |
| C47 | H27 | sing | 1.09Å | 1.10Å | |
| C55 | H28 | sing | 1.09Å | 1.10Å | |
| C55 | H29 | sing | 1.09Å | 1.10Å | |
| C56 | H30 | sing | 1.09Å | 1.10Å | |
| C56 | H31 | sing | 1.09Å | 1.10Å | |
| N04 | H32 | sing | 0.97Å | 1.00Å | |
| N07 | H33 | sing | 0.97Å | 1.00Å | |
| N45 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C08 | 120.7° | 119.9° |
| C02 | C01 | C12 | 121.8° | 119.9° |
| C01 | C02 | C03 | 104.2° | 110.4° |
| C01 | C02 | N04 | 108.0° | 110.4° |
| C01 | C02 | C05 | 113.4° | 110.4° |
| C08 | C01 | C12 | 117.4° | 120.2° |
| C01 | C08 | C09 | 122.2° | 120.1° |
| C01 | C08 | H9 | 118.9° | 119.9° |
| C01 | C12 | C11 | 120.5° | 120.1° |
| C01 | C12 | H2 | 119.7° | 119.9° |
| C03 | C02 | N04 | 100.5° | 104.4° |
| C03 | C02 | C05 | 112.4° | 110.4° |
| C02 | C03 | O14 | 125.5° | 126.7° |
| C02 | C03 | N15 | 106.9° | 106.5° |
| N04 | C02 | C05 | 116.9° | 110.5° |
| C02 | N04 | C06 | 112.2° | 106.6° |
| C02 | N04 | H32 | 123.9° | 126.8° |
| C02 | C05 | C13 | 125.6° | 109.5° |
| C02 | C05 | H7 | 105.3° | 109.4° |
| C02 | C05 | H8 | 105.3° | 109.4° |
| O14 | C03 | N15 | 127.4° | 126.8° |
| C03 | N15 | C06 | 110.1° | 111.3° |
| C03 | N15 | C16 | 125.5° | 124.3° |
| N04 | C06 | N07 | 124.0° | 124.4° |
| N04 | C06 | N15 | 109.8° | 111.2° |
| C06 | N04 | H32 | 123.9° | 126.7° |
| C05 | C13 | C26 | 111.4° | 109.5° |
| C05 | C13 | C27 | 111.8° | 109.5° |
| C05 | C13 | C35 | 108.9° | 109.5° |
| C13 | C05 | H7 | 105.3° | 109.5° |
| C13 | C05 | H8 | 105.3° | 109.5° |
| N07 | C06 | N15 | 126.2° | 124.4° |
| C06 | N07 | H33 | 112.0° | 120.0° |
| C06 | N15 | C16 | 124.3° | 124.4° |
| C08 | C09 | C10 | 120.7° | 119.9° |
| C09 | C08 | H9 | 118.9° | 120.0° |
| C08 | C09 | H10 | 119.7° | 120.0° |
| C09 | C10 | C11 | 117.9° | 119.7° |
| C09 | C10 | C28 | 119.7° | 120.1° |
| C10 | C09 | H10 | 119.7° | 120.0° |
| C11 | C10 | C28 | 122.4° | 120.1° |
| C10 | C11 | C12 | 121.3° | 119.9° |
| C10 | C11 | H1 | 119.4° | 120.0° |
| C10 | C28 | C36 | 129.0° | 127.2° |
| C10 | C28 | N39 | 122.9° | 127.2° |
| C12 | C11 | H1 | 119.3° | 120.1° |
| C11 | C12 | H2 | 119.7° | 120.0° |
| C26 | C13 | C27 | 109.0° | 109.5° |
| C26 | C13 | C35 | 108.8° | 109.5° |
| C13 | C26 | H13 | 109.5° | 109.5° |
| C13 | C26 | H14 | 109.5° | 109.5° |
| C13 | C26 | H15 | 109.5° | 109.5° |
| C27 | C13 | C35 | 106.8° | 109.5° |
| C13 | C27 | H16 | 109.5° | 109.5° |
| C13 | C27 | H17 | 109.5° | 109.5° |
| C13 | C27 | H18 | 109.5° | 109.5° |
| C13 | C35 | F50 | 112.5° | 109.4° |
| C13 | C35 | F51 | 110.4° | 109.5° |
| C13 | C35 | F52 | 109.9° | 109.4° |
| N15 | C16 | C17 | 106.5° | 109.5° |
| N15 | C16 | C18 | 110.1° | 109.4° |
| N15 | C16 | H3 | 107.1° | 109.4° |
| C17 | C16 | C18 | 119.9° | 109.5° |
| C16 | C17 | O25 | 103.4° | 109.5° |
| C17 | C16 | H3 | 106.3° | 109.5° |
| C16 | C17 | H4 | 110.9° | 109.4° |
| C16 | C17 | H5 | 111.0° | 109.5° |
| C16 | C18 | C19 | 117.6° | 119.9° |
| C16 | C18 | C23 | 123.8° | 119.9° |
| C18 | C16 | H3 | 106.3° | 109.5° |
| C17 | O25 | C43 | 115.2° | 117.0° |
| O25 | C17 | H4 | 111.0° | 109.4° |
| O25 | C17 | H5 | 111.0° | 109.5° |
| C19 | C18 | C23 | 118.6° | 120.2° |
| C18 | C19 | C20 | 121.5° | 120.3° |
| C18 | C19 | H6 | 119.3° | 119.9° |
| C18 | C23 | C22 | 120.5° | 119.8° |
| C18 | C23 | H12 | 119.8° | 120.0° |
| C19 | C20 | C21 | 119.1° | 120.1° |
| C20 | C19 | H6 | 119.2° | 119.8° |
| C19 | C20 | H11 | 120.5° | 120.0° |
| C20 | C21 | C22 | 121.3° | 119.9° |
| C20 | C21 | CL24 | 118.6° | 120.1° |
| C21 | C20 | H11 | 120.4° | 119.9° |
| C22 | C21 | CL24 | 120.1° | 120.1° |
| C21 | C22 | C23 | 119.0° | 119.7° |
| C21 | C22 | C29 | 122.4° | 120.2° |
| C23 | C22 | C29 | 118.6° | 120.1° |
| C22 | C23 | H12 | 119.7° | 120.1° |
| C22 | C29 | N30 | 124.4° | 126.1° |
| C22 | C29 | N33 | 127.2° | 126.1° |
| O25 | C43 | O44 | 124.7° | 119.9° |
| O25 | C43 | N45 | 109.3° | 120.0° |
| C36 | C28 | N39 | 108.1° | 105.6° |
| C28 | C36 | N37 | 110.3° | 105.8° |
| C28 | C36 | H21 | 124.8° | 127.1° |
| C28 | N39 | N38 | 102.7° | 108.6° |
| N30 | C29 | N33 | 108.4° | 107.8° |
| C29 | N30 | C31 | 104.1° | 109.8° |
| C29 | N33 | N32 | 110.3° | 106.2° |
| C29 | N33 | C34 | 129.8° | 126.9° |
| N30 | C31 | N32 | 115.1° | 109.2° |
| N30 | C31 | H19 | 122.5° | 125.4° |
| C31 | N32 | N33 | 102.1° | 107.0° |
| N32 | C31 | H19 | 122.4° | 125.4° |
| N32 | N33 | C34 | 119.9° | 126.9° |
| N33 | C34 | F53 | 109.6° | 109.5° |
| N33 | C34 | F54 | 108.5° | 109.5° |
| N33 | C34 | H20 | 110.3° | 109.5° |
| F53 | C34 | F54 | 104.4° | 109.4° |
| F53 | C34 | H20 | 111.9° | 109.4° |
| F54 | C34 | H20 | 111.9° | 109.5° |
| F50 | C35 | F51 | 107.1° | 109.5° |
| F50 | C35 | F52 | 106.0° | 109.5° |
| F51 | C35 | F52 | 110.9° | 109.5° |
| C36 | N37 | N38 | 101.5° | 108.9° |
| N37 | C36 | H21 | 124.8° | 127.1° |
| N37 | N38 | N39 | 117.4° | 111.1° |
| N37 | N38 | C40 | 121.0° | 124.4° |
| N39 | N38 | C40 | 121.7° | 124.5° |
| N38 | C40 | C41 | 121.6° | 117.5° |
| N38 | C40 | C42 | 123.1° | 117.5° |
| N38 | C40 | H22 | 114.6° | 115.6° |
| C41 | C40 | C42 | 59.6° | 60.0° |
| C40 | C41 | C42 | 60.2° | 60.0° |
| C41 | C40 | H22 | 113.5° | 117.4° |
| C40 | C41 | H23 | 120.0° | 117.5° |
| C40 | C41 | H24 | 120.0° | 117.4° |
| C40 | C42 | C41 | 60.2° | 60.0° |
| C42 | C40 | H22 | 113.5° | 117.5° |
| C40 | C42 | H25 | 120.0° | 117.5° |
| C40 | C42 | H26 | 120.0° | 117.5° |
| C42 | C41 | H23 | 120.0° | 117.5° |
| C42 | C41 | H24 | 120.0° | 117.4° |
| C41 | C42 | H25 | 120.0° | 117.5° |
| C41 | C42 | H26 | 120.0° | 117.4° |
| O44 | C43 | N45 | 126.0° | 120.0° |
| C43 | N45 | C46 | 123.8° | 120.0° |
| C43 | N45 | H34 | 118.1° | 120.0° |
| N45 | C46 | C47 | 112.1° | 115.6° |
| N45 | C46 | C55 | 121.2° | 117.5° |
| N45 | C46 | C56 | 119.0° | 117.5° |
| C46 | N45 | H34 | 118.1° | 120.0° |
| C47 | C46 | C55 | 118.7° | 117.5° |
| C47 | C46 | C56 | 117.1° | 117.5° |
| C46 | C47 | F48 | 111.6° | 109.4° |
| C46 | C47 | F49 | 105.0° | 109.5° |
| C46 | C47 | H27 | 109.9° | 109.5° |
| C55 | C46 | C56 | 59.1° | 60.0° |
| C46 | C55 | C56 | 60.5° | 60.0° |
| C46 | C55 | H28 | 119.9° | 117.5° |
| C46 | C55 | H29 | 119.9° | 117.5° |
| C46 | C56 | C55 | 60.3° | 60.0° |
| C46 | C56 | H30 | 119.9° | 117.5° |
| C46 | C56 | H31 | 120.0° | 117.5° |
| F48 | C47 | F49 | 105.6° | 109.4° |
| F48 | C47 | H27 | 112.2° | 109.5° |
| F49 | C47 | H27 | 112.2° | 109.5° |
| C56 | C55 | H28 | 119.9° | 117.5° |
| C56 | C55 | H29 | 119.9° | 117.5° |
| C55 | C56 | H30 | 119.9° | 117.5° |
| C55 | C56 | H31 | 120.0° | 117.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.4° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.4° |
| H13 | C26 | H15 | 109.5° | 109.4° |
| H14 | C26 | H15 | 109.4° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.4° |
| H16 | C27 | H18 | 109.4° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.5° |
| H23 | C41 | H24 | 109.4° | 115.6° |
| H25 | C42 | H26 | 109.5° | 115.6° |
| H28 | C55 | H29 | 109.5° | 115.6° |
| H30 | C56 | H31 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C08 | C12 | 178.3° | 180.0° |
| C01 | C02 | C03 | N04 | 111.8° | 118.7° |
| C01 | C02 | C03 | C05 | 123.2° | 122.5° |
| C01 | C02 | N04 | C05 | 129.3° | 122.5° |
| C01 | C02 | C03 | O14 | 69.7° | 61.3° |
| C01 | C02 | C03 | N15 | 105.1° | 118.7° |
| C01 | C02 | N04 | C06 | 102.8° | 118.7° |
| C01 | C02 | C05 | C13 | 164.3° | 173.7° |
| C02 | C01 | C08 | C09 | 178.7° | 179.7° |
| C02 | C01 | C12 | C11 | 178.8° | 180.0° |
| C02 | C01 | C12 | H2 | 1.2° | 0.0° |
| C01 | C02 | C05 | H7 | 73.6° | 53.7° |
| C01 | C02 | C05 | H8 | 42.1° | 66.3° |
| C02 | C01 | C08 | H9 | 1.3° | 0.1° |
| C01 | C02 | N04 | H32 | 77.2° | 61.3° |
| C08 | C01 | C02 | C03 | 99.3° | 89.3° |
| C08 | C01 | C02 | N04 | 6.9° | 25.7° |
| C08 | C01 | C02 | C05 | 138.2° | 148.3° |
| C01 | C08 | C09 | H9 | 180.0° | 179.8° |
| C01 | C08 | C09 | C10 | 1.0° | 0.5° |
| C08 | C01 | C12 | C11 | 0.5° | 0.0° |
| C08 | C01 | C12 | H2 | 179.5° | 180.0° |
| C01 | C08 | C09 | H10 | 179.0° | 180.0° |
| C12 | C01 | C02 | C03 | 78.9° | 90.7° |
| C12 | C01 | C02 | N04 | 174.8° | 154.3° |
| C12 | C01 | C02 | C05 | 43.6° | 31.7° |
| C12 | C01 | C08 | C09 | 0.4° | 0.3° |
| C01 | C12 | C11 | C10 | 0.8° | 0.0° |
| C01 | C12 | C11 | H2 | 180.0° | 180.0° |
| C01 | C12 | C11 | H1 | 179.2° | 179.9° |
| C12 | C01 | C08 | H9 | 179.5° | 180.0° |
| C03 | C02 | N04 | C05 | 121.9° | 118.7° |
| C02 | C03 | O14 | N15 | 173.8° | 180.0° |
| C03 | C02 | N04 | C06 | 6.0° | 0.0° |
| C03 | C02 | C05 | C13 | 77.9° | 63.9° |
| C02 | C03 | N15 | C06 | 5.3° | 0.0° |
| C02 | C03 | N15 | C16 | 177.8° | 180.0° |
| C03 | C02 | C05 | H7 | 44.3° | 176.1° |
| C03 | C02 | C05 | H8 | 159.9° | 56.2° |
| C03 | C02 | N04 | H32 | 174.0° | 180.0° |
| N04 | C02 | C03 | O14 | 178.5° | 180.0° |
| N04 | C02 | C03 | N15 | 6.7° | 0.0° |
| C02 | N04 | C06 | H32 | 180.0° | 180.0° |
| N04 | C02 | C05 | C13 | 37.6° | 51.1° |
| C02 | N04 | C06 | N07 | 176.0° | 180.0° |
| C02 | N04 | C06 | N15 | 3.2° | 0.0° |
| N04 | C02 | C05 | H7 | 159.7° | 68.9° |
| N04 | C02 | C05 | H8 | 84.6° | 171.2° |
| C05 | C02 | C03 | O14 | 53.5° | 61.2° |
| C05 | C02 | C03 | N15 | 131.7° | 118.8° |
| C05 | C02 | N04 | C06 | 127.9° | 118.7° |
| C02 | C05 | C13 | H7 | 122.2° | 120.0° |
| C02 | C05 | C13 | H8 | 122.2° | 120.0° |
| C02 | C05 | C13 | C26 | 49.9° | 62.6° |
| C02 | C05 | C13 | C27 | 72.2° | 57.5° |
| C02 | C05 | C13 | C35 | 170.0° | 177.4° |
| C02 | C05 | H7 | H8 | 112.7° | 119.9° |
| C05 | C02 | N04 | H32 | 52.1° | 61.2° |
| O14 | C03 | N15 | C06 | 179.9° | 180.0° |
| O14 | C03 | N15 | C16 | 3.1° | 0.0° |
| C03 | N15 | C06 | N04 | 1.6° | 0.0° |
| C03 | N15 | C06 | N07 | 179.2° | 180.0° |
| C03 | N15 | C06 | C16 | 176.9° | 180.0° |
| C03 | N15 | C16 | C17 | 58.3° | 1.4° |
| C03 | N15 | C16 | C18 | 73.1° | 118.6° |
| C03 | N15 | C16 | H3 | 171.7° | 121.4° |
| N04 | C06 | N07 | N15 | 179.1° | 180.0° |
| N04 | C06 | N15 | C16 | 178.5° | 180.0° |
| N04 | C06 | N07 | H33 | 179.1° | 174.9° |
| C05 | C13 | C26 | C27 | 123.7° | 120.0° |
| C05 | C13 | C26 | C35 | 120.1° | 120.0° |
| C05 | C13 | C27 | C35 | 119.1° | 120.0° |
| C05 | C13 | C35 | F50 | 57.3° | 180.0° |
| C05 | C13 | C35 | F51 | 62.2° | 60.0° |
| C05 | C13 | C35 | F52 | 175.1° | 60.0° |
| C13 | C05 | H7 | H8 | 112.7° | 120.0° |
| C05 | C13 | C26 | H13 | 180.0° | 166.1° |
| C05 | C13 | C26 | H14 | 60.0° | 46.2° |
| C05 | C13 | C26 | H15 | 60.0° | 73.9° |
| C05 | C13 | C27 | H16 | 180.0° | 81.7° |
| C05 | C13 | C27 | H17 | 60.0° | 38.3° |
| C05 | C13 | C27 | H18 | 60.0° | 158.3° |
| N07 | C06 | N15 | C16 | 2.3° | 0.0° |
| N07 | C06 | N04 | H32 | 4.0° | 0.0° |
| C06 | N15 | C16 | C17 | 118.1° | 178.6° |
| C06 | N15 | C16 | C18 | 110.4° | 61.4° |
| C06 | N15 | C16 | H3 | 4.8° | 58.6° |
| N15 | C06 | N04 | H32 | 176.8° | 180.0° |
| N15 | C06 | N07 | H33 | 0.0° | 5.1° |
| C08 | C09 | C10 | H10 | 180.0° | 179.5° |
| C08 | C09 | C10 | C11 | 2.3° | 0.5° |
| C08 | C09 | C10 | C28 | 179.9° | 179.7° |
| C09 | C10 | C11 | C28 | 177.5° | 179.8° |
| C09 | C10 | C11 | C12 | 2.2° | 0.2° |
| C09 | C10 | C28 | C36 | 1.1° | 175.2° |
| C09 | C10 | C28 | N39 | 179.7° | 4.5° |
| C09 | C10 | C11 | H1 | 177.8° | 179.8° |
| C10 | C09 | C08 | H9 | 179.0° | 179.7° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C11 | C10 | C28 | C36 | 176.4° | 5.0° |
| C11 | C10 | C28 | N39 | 2.8° | 175.3° |
| C10 | C11 | C12 | H2 | 179.2° | 180.0° |
| C11 | C10 | C09 | H10 | 177.7° | 180.0° |
| C28 | C10 | C11 | C12 | 179.7° | 180.0° |
| C10 | C28 | C36 | N39 | 179.3° | 179.7° |
| C10 | C28 | C36 | N37 | 179.1° | 180.0° |
| C10 | C28 | N39 | N38 | 179.2° | 179.9° |
| C28 | C10 | C11 | H1 | 0.3° | 0.0° |
| C28 | C10 | C09 | H10 | 0.1° | 0.2° |
| C10 | C28 | C36 | H21 | 0.8° | 0.0° |
| C26 | C13 | C27 | C35 | 117.4° | 120.0° |
| C26 | C13 | C35 | F50 | 64.3° | 60.0° |
| C26 | C13 | C35 | F51 | 176.2° | 180.0° |
| C26 | C13 | C35 | F52 | 53.5° | 60.0° |
| C26 | C13 | C05 | H7 | 72.3° | 57.4° |
| C26 | C13 | C05 | H8 | 172.1° | 177.4° |
| C13 | C26 | H13 | H14 | 120.0° | 120.0° |
| C13 | C26 | H13 | H15 | 120.0° | 120.0° |
| C13 | C26 | H14 | H15 | 120.0° | 120.1° |
| C26 | C13 | C27 | H16 | 56.5° | 38.4° |
| C26 | C13 | C27 | H17 | 176.5° | 158.4° |
| C26 | C13 | C27 | H18 | 63.5° | 81.6° |
| C27 | C13 | C35 | F50 | 178.2° | 60.0° |
| C27 | C13 | C35 | F51 | 58.7° | 60.0° |
| C27 | C13 | C35 | F52 | 64.0° | 180.0° |
| C27 | C13 | C05 | H7 | 165.6° | 177.4° |
| C27 | C13 | C05 | H8 | 50.0° | 62.5° |
| C27 | C13 | C26 | H13 | 56.3° | 73.9° |
| C27 | C13 | C26 | H14 | 63.7° | 166.2° |
| C27 | C13 | C26 | H15 | 176.3° | 46.1° |
| C13 | C27 | H16 | H17 | 120.0° | 120.0° |
| C13 | C27 | H16 | H18 | 120.0° | 120.0° |
| C13 | C27 | H17 | H18 | 120.0° | 120.0° |
| C13 | C35 | F50 | F51 | 121.5° | 120.0° |
| C13 | C35 | F50 | F52 | 120.1° | 120.0° |
| C13 | C35 | F51 | F52 | 122.1° | 120.0° |
| C35 | C13 | C05 | H7 | 47.8° | 62.6° |
| C35 | C13 | C05 | H8 | 67.8° | 57.4° |
| C35 | C13 | C26 | H13 | 59.9° | 46.1° |
| C35 | C13 | C26 | H14 | 179.9° | 73.8° |
| C35 | C13 | C26 | H15 | 60.1° | 166.1° |
| C35 | C13 | C27 | H16 | 61.0° | 158.4° |
| C35 | C13 | C27 | H17 | 59.1° | 81.6° |
| C35 | C13 | C27 | H18 | 179.1° | 38.4° |
| N15 | C16 | C17 | C18 | 125.7° | 120.0° |
| N15 | C16 | C17 | H3 | 113.9° | 120.0° |
| N15 | C16 | C18 | H3 | 115.7° | 120.0° |
| N15 | C16 | C17 | O25 | 65.3° | 65.9° |
| N15 | C16 | C18 | C19 | 175.5° | 44.0° |
| N15 | C16 | C18 | C23 | 4.6° | 136.3° |
| N15 | C16 | C17 | H4 | 175.7° | 54.0° |
| N15 | C16 | C17 | H5 | 53.8° | 174.0° |
| C17 | C16 | C18 | H3 | 120.3° | 120.1° |
| C16 | C17 | O25 | H4 | 119.0° | 120.0° |
| C16 | C17 | O25 | H5 | 119.1° | 120.0° |
| C17 | C16 | C18 | C19 | 51.5° | 76.0° |
| C17 | C16 | C18 | C23 | 128.6° | 103.7° |
| C16 | C17 | O25 | C43 | 178.1° | 180.0° |
| C16 | C17 | H4 | H5 | 122.8° | 120.0° |
| C18 | C16 | C17 | O25 | 169.0° | 54.0° |
| C16 | C18 | C19 | C23 | 180.0° | 179.7° |
| C16 | C18 | C19 | C20 | 178.7° | 180.0° |
| C16 | C18 | C23 | C22 | 178.9° | 179.8° |
| C18 | C16 | C17 | H4 | 50.0° | 174.0° |
| C18 | C16 | C17 | H5 | 72.0° | 66.0° |
| C16 | C18 | C19 | H6 | 1.3° | 0.0° |
| C16 | C18 | C23 | H12 | 1.1° | 0.1° |
| C17 | O25 | C43 | O44 | 6.2° | 0.0° |
| C17 | O25 | C43 | N45 | 174.0° | 180.0° |
| O25 | C17 | C16 | H3 | 48.6° | 174.1° |
| O25 | C17 | H4 | H5 | 122.8° | 120.0° |
| C18 | C19 | C20 | H6 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 1.3° | 0.0° |
| C19 | C18 | C23 | C22 | 1.1° | 0.6° |
| C19 | C18 | C16 | H3 | 68.9° | 164.0° |
| C18 | C19 | C20 | H11 | 178.7° | 179.9° |
| C19 | C18 | C23 | H12 | 178.9° | 179.7° |
| C23 | C18 | C19 | C20 | 1.3° | 0.3° |
| C18 | C23 | C22 | C21 | 0.9° | 0.5° |
| C18 | C23 | C22 | H12 | 180.0° | 179.7° |
| C18 | C23 | C22 | C29 | 179.9° | 179.7° |
| C23 | C18 | C16 | H3 | 111.1° | 16.4° |
| C23 | C18 | C19 | H6 | 178.7° | 179.7° |
| C19 | C20 | C21 | H11 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 1.0° | 0.0° |
| C19 | C20 | C21 | CL24 | 179.6° | 180.0° |
| C20 | C21 | C22 | CL24 | 179.4° | 180.0° |
| C20 | C21 | C22 | C23 | 0.8° | 0.2° |
| C20 | C21 | C22 | C29 | 179.8° | 180.0° |
| C21 | C20 | C19 | H6 | 178.7° | 180.0° |
| C21 | C22 | C23 | C29 | 179.1° | 179.8° |
| C21 | C22 | C29 | N30 | 82.4° | 46.4° |
| C21 | C22 | C29 | N33 | 97.8° | 133.2° |
| C22 | C21 | C20 | H11 | 179.0° | 180.0° |
| C21 | C22 | C23 | H12 | 179.1° | 179.8° |
| CL24 | C21 | C22 | C23 | 179.8° | 179.8° |
| CL24 | C21 | C22 | C29 | 0.8° | 0.0° |
| CL24 | C21 | C20 | H11 | 0.4° | 0.0° |
| C23 | C22 | C29 | N30 | 96.7° | 133.8° |
| C23 | C22 | C29 | N33 | 83.2° | 46.5° |
| C22 | C29 | N30 | N33 | 179.9° | 179.7° |
| C22 | C29 | N30 | C31 | 178.9° | 179.9° |
| C22 | C29 | N33 | N32 | 179.4° | 180.0° |
| C22 | C29 | N33 | C34 | 1.6° | 0.1° |
| C29 | C22 | C23 | H12 | 0.1° | 0.0° |
| O25 | C43 | O44 | N45 | 179.9° | 180.0° |
| O25 | C43 | N45 | C46 | 170.4° | 175.0° |
| C43 | O25 | C17 | H4 | 59.1° | 60.0° |
| C43 | O25 | C17 | H5 | 62.8° | 60.0° |
| O25 | C43 | N45 | H34 | 9.6° | 5.0° |
| C28 | C36 | N37 | H21 | 180.0° | 180.0° |
| C28 | C36 | N37 | N38 | 0.1° | 0.0° |
| C36 | C28 | N39 | N38 | 0.1° | 0.4° |
| N39 | C28 | C36 | N37 | 0.2° | 0.2° |
| C28 | N39 | N38 | N37 | 0.1° | 0.4° |
| C28 | N39 | N38 | C40 | 180.0° | 179.8° |
| N39 | C28 | C36 | H21 | 179.9° | 179.8° |
| C29 | N30 | C31 | N32 | 1.2° | 0.1° |
| N30 | C29 | N33 | N32 | 0.4° | 0.2° |
| N30 | C29 | N33 | C34 | 178.5° | 179.8° |
| C29 | N30 | C31 | H19 | 178.8° | 179.8° |
| N33 | C29 | N30 | C31 | 1.0° | 0.2° |
| C29 | N33 | N32 | C31 | 0.3° | 0.2° |
| C29 | N33 | N32 | C34 | 179.1° | 180.0° |
| C29 | N33 | C34 | F53 | 55.2° | 148.9° |
| C29 | N33 | C34 | F54 | 58.2° | 28.9° |
| C29 | N33 | C34 | H20 | 178.9° | 91.1° |
| N30 | C31 | N32 | H19 | 180.0° | 179.9° |
| N30 | C31 | N32 | N33 | 1.0° | 0.0° |
| C31 | N32 | N33 | C34 | 179.4° | 179.8° |
| N32 | N33 | C34 | F53 | 125.9° | 31.1° |
| N32 | N33 | C34 | F54 | 120.7° | 151.1° |
| N33 | N32 | C31 | H19 | 179.1° | 179.9° |
| N32 | N33 | C34 | H20 | 2.3° | 88.8° |
| N33 | C34 | F53 | F54 | 116.0° | 120.0° |
| N33 | C34 | F53 | H20 | 122.7° | 120.0° |
| N33 | C34 | F54 | H20 | 122.0° | 120.1° |
| F53 | C34 | F54 | H20 | 121.2° | 119.9° |
| F50 | C35 | F51 | F52 | 115.2° | 120.0° |
| C36 | N37 | N38 | N39 | 0.0° | 0.3° |
| C36 | N37 | N38 | C40 | 179.9° | 180.0° |
| N37 | N38 | N39 | C40 | 179.9° | 179.7° |
| N37 | N38 | C40 | C41 | 22.0° | 60.0° |
| N37 | N38 | C40 | C42 | 94.0° | 8.6° |
| N38 | N37 | C36 | H21 | 179.9° | 180.0° |
| N37 | N38 | C40 | H22 | 120.7° | 154.3° |
| N39 | N38 | C40 | C41 | 157.9° | 120.3° |
| N39 | N38 | C40 | C42 | 85.9° | 171.1° |
| N39 | N38 | C40 | H22 | 59.3° | 25.4° |
| N38 | C40 | C41 | C42 | 112.5° | 107.5° |
| N38 | C40 | C41 | H22 | 143.1° | 145.0° |
| N38 | C40 | C42 | H22 | 145.6° | 145.1° |
| N38 | C40 | C41 | H23 | 138.0° | 145.0° |
| N38 | C40 | C41 | H24 | 3.0° | 0.1° |
| N38 | C40 | C42 | H25 | 0.5° | 0.0° |
| N38 | C40 | C42 | H26 | 140.5° | 145.1° |
| C41 | C40 | C42 | H22 | 104.4° | 107.4° |
| C40 | C41 | C42 | H23 | 109.6° | 107.5° |
| C40 | C41 | C42 | H24 | 109.6° | 107.4° |
| C40 | C41 | H23 | H24 | 144.6° | 145.7° |
| C41 | C40 | C42 | H25 | 109.5° | 107.5° |
| C41 | C40 | C42 | H26 | 109.5° | 107.4° |
| C40 | C42 | H25 | H26 | 144.7° | 145.7° |
| C42 | C41 | H23 | H24 | 144.6° | 145.6° |
| C41 | C42 | H25 | H26 | 144.6° | 145.6° |
| O44 | C43 | N45 | C46 | 9.5° | 5.0° |
| O44 | C43 | N45 | H34 | 170.5° | 175.0° |
| C43 | N45 | C46 | H34 | 180.0° | 180.0° |
| C43 | N45 | C46 | C47 | 99.0° | 65.4° |
| C43 | N45 | C46 | C55 | 112.5° | 80.3° |
| C43 | N45 | C46 | C56 | 43.1° | 148.9° |
| N45 | C46 | C47 | C55 | 149.4° | 145.7° |
| N45 | C46 | C47 | C56 | 142.8° | 145.7° |
| N45 | C46 | C55 | C56 | 107.3° | 107.5° |
| N45 | C46 | C47 | F48 | 172.5° | 31.0° |
| N45 | C46 | C47 | F49 | 58.5° | 150.9° |
| N45 | C46 | C47 | H27 | 62.5° | 89.0° |
| N45 | C46 | C55 | H28 | 2.3° | 0.0° |
| N45 | C46 | C55 | H29 | 143.1° | 145.0° |
| N45 | C46 | C56 | H30 | 139.4° | 145.0° |
| N45 | C46 | C56 | H31 | 1.4° | 0.0° |
| C47 | C46 | C55 | C56 | 106.2° | 107.5° |
| C46 | C47 | F48 | F49 | 113.6° | 120.0° |
| C46 | C47 | F48 | H27 | 123.8° | 120.0° |
| C46 | C47 | F49 | H27 | 119.4° | 120.0° |
| C47 | C46 | C55 | H28 | 144.2° | 145.0° |
| C47 | C46 | C55 | H29 | 3.5° | 0.0° |
| C47 | C46 | C56 | H30 | 0.7° | 0.0° |
| C47 | C46 | C56 | H31 | 141.6° | 145.0° |
| C47 | C46 | N45 | H34 | 81.0° | 114.6° |
| C55 | C46 | C47 | F48 | 38.2° | 176.7° |
| C55 | C46 | C47 | F49 | 152.2° | 63.4° |
| C46 | C55 | C56 | H28 | 109.6° | 107.5° |
| C46 | C55 | C56 | H29 | 109.6° | 107.4° |
| C55 | C46 | C47 | H27 | 86.9° | 56.7° |
| C46 | C55 | H28 | H29 | 144.4° | 145.6° |
| C55 | C46 | C56 | H30 | 109.5° | 107.5° |
| C55 | C46 | C56 | H31 | 109.6° | 107.5° |
| C55 | C46 | N45 | H34 | 67.5° | 99.7° |
| C56 | C46 | C47 | F48 | 29.7° | 114.7° |
| C56 | C46 | C47 | F49 | 84.3° | 5.2° |
| C56 | C46 | C47 | H27 | 154.8° | 125.3° |
| C46 | C56 | H30 | H31 | 144.6° | 145.7° |
| C56 | C46 | N45 | H34 | 136.9° | 31.1° |
| F48 | C47 | F49 | H27 | 122.5° | 120.0° |
| C56 | C55 | H28 | H29 | 144.4° | 145.7° |
| C55 | C56 | H30 | H31 | 144.5° | 145.7° |
| H1 | C11 | C12 | H2 | 0.8° | 0.0° |
| H3 | C16 | C17 | H4 | 70.4° | 66.0° |
| H3 | C16 | C17 | H5 | 167.7° | 54.1° |
| H6 | C19 | C20 | H11 | 1.3° | 0.1° |
| H9 | C08 | C09 | H10 | 1.0° | 0.2° |
| H13 | C26 | H14 | H15 | 120.0° | 119.9° |
| H16 | C27 | H17 | H18 | 120.0° | 120.0° |
| H22 | C40 | C41 | H23 | 5.2° | 0.0° |
| H22 | C40 | C41 | H24 | 146.1° | 145.1° |
| H22 | C40 | C42 | H25 | 146.1° | 145.0° |
| H22 | C40 | C42 | H26 | 5.1° | 0.0° |
| H23 | C41 | C42 | H25 | 140.9° | 145.0° |
| H23 | C41 | C42 | H26 | 0.0° | 0.0° |
| H24 | C41 | C42 | H25 | 0.0° | 0.0° |
| H24 | C41 | C42 | H26 | 140.9° | 145.0° |
| H28 | C55 | C56 | H30 | 140.8° | 145.0° |
| H28 | C55 | C56 | H31 | 0.0° | 0.0° |
| H29 | C55 | C56 | H30 | 0.1° | 0.0° |
| H29 | C55 | C56 | H31 | 140.8° | 145.1° |
