P9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.51Å | 1.49Å | |
| C2 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | N6 | sing | 1.32Å | 1.36Å | Aromatic |
| C4 | C9 | doub | 1.34Å | 1.39Å | Aromatic |
| N6 | C7 | doub | 1.30Å | 1.35Å | Aromatic |
| C7 | S8 | sing | 1.71Å | 1.62Å | Aromatic |
| C7 | N10 | sing | 1.39Å | 1.34Å | |
| S8 | C9 | sing | 1.76Å | 1.64Å | Aromatic |
| N10 | C11 | sing | 1.35Å | 1.32Å | |
| C11 | C12 | sing | 1.48Å | 1.49Å | |
| C11 | O13 | doub | 1.21Å | 1.23Å | |
| C12 | C14 | doub | 1.38Å | 1.40Å | |
| C12 | C18 | sing | 1.41Å | 1.40Å | |
| C14 | C15 | sing | 1.41Å | 1.38Å | |
| C15 | N16 | sing | 1.37Å | 1.46Å | |
| C15 | N19 | doub | 1.33Å | 1.36Å | |
| N16 | C17 | sing | 1.36Å | 1.45Å | |
| N16 | C20 | sing | 1.35Å | 1.44Å | |
| C17 | C18 | doub | 1.35Å | 1.38Å | |
| N19 | C21 | sing | 1.33Å | 1.38Å | |
| C20 | C22 | sing | 1.41Å | 1.50Å | |
| C20 | O23 | doub | 1.22Å | 1.25Å | |
| C21 | C22 | doub | 1.41Å | 1.51Å | |
| C21 | N24 | sing | 1.38Å | 1.41Å | |
| C22 | C25 | sing | 1.46Å | 1.48Å | |
| N24 | C32 | sing | 1.47Å | 1.48Å | |
| N24 | C37 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | doub | 1.35Å | 1.32Å | |
| C26 | C27 | sing | 1.46Å | 1.48Å | |
| C27 | N28 | doub | 1.32Å | 1.33Å | Aromatic |
| C27 | N31 | sing | 1.37Å | 1.35Å | Aromatic |
| N28 | N29 | sing | 1.28Å | 1.40Å | Aromatic |
| N29 | N30 | doub | 1.29Å | 1.41Å | Aromatic |
| N30 | N31 | sing | 1.41Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | O34 | sing | 1.45Å | 1.46Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| O34 | C38 | sing | 1.35Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C38 | N39 | sing | 1.35Å | 1.35Å | |
| C38 | O44 | doub | 1.22Å | 1.22Å | |
| N39 | C40 | sing | 1.46Å | 1.46Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | N42 | sing | 1.47Å | 1.50Å | |
| N42 | C43 | sing | 1.47Å | 1.49Å | |
| N42 | C48 | sing | 1.47Å | 1.48Å | |
| N42 | C49 | sing | 1.47Å | 1.48Å | |
| C43 | C45 | sing | 1.51Å | 1.54Å | |
| C45 | O46 | sing | 1.22Å | 1.27Å | |
| C45 | O47 | doub | 1.22Å | 1.26Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| N39 | HN39 | sing | 0.97Å | 1.00Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H48A | sing | 1.09Å | 1.10Å | |
| C48 | H48B | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C49 | H49B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.0° | 109.5° |
| C1 | C2 | C4 | 107.1° | 109.5° |
| C1 | C2 | C5 | 110.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C3 | C2 | C4 | 112.9° | 109.4° |
| C3 | C2 | C5 | 110.6° | 109.4° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.4° | 109.4° |
| C4 | C2 | C5 | 107.0° | 109.5° |
| C2 | C4 | N6 | 120.9° | 122.8° |
| C2 | C4 | C9 | 119.1° | 122.7° |
| C2 | C5 | H5 | 109.5° | 109.5° |
| C2 | C5 | H5A | 109.5° | 109.5° |
| C2 | C5 | H5B | 109.5° | 109.5° |
| N6 | C4 | C9 | 120.0° | 114.6° |
| C4 | N6 | C7 | 105.6° | 116.9° |
| C4 | C9 | S8 | 104.1° | 108.0° |
| C4 | C9 | H9 | 127.9° | 126.0° |
| N6 | C7 | S8 | 114.7° | 110.1° |
| N6 | C7 | N10 | 123.0° | 124.9° |
| S8 | C7 | N10 | 122.3° | 125.0° |
| C7 | S8 | C9 | 95.7° | 90.4° |
| C7 | N10 | C11 | 122.3° | 120.0° |
| C7 | N10 | HN10 | 118.9° | 120.0° |
| S8 | C9 | H9 | 128.0° | 126.0° |
| N10 | C11 | C12 | 113.9° | 120.0° |
| N10 | C11 | O13 | 125.5° | 120.0° |
| C11 | N10 | HN10 | 118.9° | 120.0° |
| C12 | C11 | O13 | 120.6° | 120.0° |
| C11 | C12 | C14 | 117.8° | 120.4° |
| C11 | C12 | C18 | 118.2° | 120.4° |
| C14 | C12 | C18 | 124.0° | 119.2° |
| C12 | C14 | C15 | 119.3° | 119.3° |
| C12 | C14 | H14 | 120.4° | 120.4° |
| C12 | C18 | C17 | 119.3° | 120.0° |
| C12 | C18 | H18 | 120.3° | 120.0° |
| C14 | C15 | N16 | 117.9° | 119.6° |
| C14 | C15 | N19 | 119.9° | 119.0° |
| C15 | C14 | H14 | 120.4° | 120.3° |
| N16 | C15 | N19 | 122.2° | 121.4° |
| C15 | N16 | C17 | 121.3° | 120.8° |
| C15 | N16 | C20 | 119.5° | 120.1° |
| C15 | N19 | C21 | 122.6° | 121.6° |
| C17 | N16 | C20 | 119.2° | 119.1° |
| N16 | C17 | C18 | 118.2° | 121.1° |
| N16 | C17 | H17 | 120.9° | 119.5° |
| N16 | C20 | C22 | 117.6° | 118.9° |
| N16 | C20 | O23 | 119.2° | 120.5° |
| C18 | C17 | H17 | 120.9° | 119.4° |
| C17 | C18 | H18 | 120.4° | 120.0° |
| N19 | C21 | C22 | 119.7° | 119.6° |
| N19 | C21 | N24 | 120.4° | 120.2° |
| C22 | C20 | O23 | 123.2° | 120.6° |
| C20 | C22 | C21 | 118.4° | 118.4° |
| C20 | C22 | C25 | 120.2° | 120.8° |
| C22 | C21 | N24 | 119.9° | 120.2° |
| C21 | C22 | C25 | 121.4° | 120.8° |
| C21 | N24 | C32 | 119.2° | 120.6° |
| C21 | N24 | C37 | 116.0° | 120.6° |
| C22 | C25 | C26 | 115.2° | 120.0° |
| C22 | C25 | H25 | 122.4° | 120.0° |
| C32 | N24 | C37 | 124.8° | 118.7° |
| N24 | C32 | C33 | 113.7° | 108.8° |
| N24 | C32 | H32 | 108.4° | 109.6° |
| N24 | C32 | H32A | 108.4° | 109.6° |
| N24 | C37 | C36 | 108.8° | 109.0° |
| N24 | C37 | H37 | 109.7° | 109.6° |
| N24 | C37 | H37A | 109.7° | 109.6° |
| C25 | C26 | C27 | 125.6° | 120.0° |
| C26 | C25 | H25 | 122.4° | 120.0° |
| C25 | C26 | H26 | 117.2° | 120.0° |
| C26 | C27 | N28 | 122.5° | 126.6° |
| C26 | C27 | N31 | 120.6° | 126.7° |
| C27 | C26 | H26 | 117.2° | 120.0° |
| N28 | C27 | N31 | 116.8° | 106.7° |
| C27 | N28 | N29 | 103.8° | 110.5° |
| C27 | N31 | N30 | 103.3° | 105.1° |
| C27 | N31 | HN31 | 128.3° | 127.4° |
| N28 | N29 | N30 | 107.9° | 110.6° |
| N29 | N30 | N31 | 108.1° | 107.1° |
| N30 | N31 | HN31 | 128.3° | 127.5° |
| C32 | C33 | O34 | 115.1° | 109.5° |
| C32 | C33 | C35 | 109.5° | 109.3° |
| C33 | C32 | H32 | 108.4° | 109.6° |
| C33 | C32 | H32A | 108.4° | 109.6° |
| C32 | C33 | H33 | 106.2° | 109.5° |
| O34 | C33 | C35 | 111.8° | 109.5° |
| C33 | O34 | C38 | 120.9° | 117.0° |
| O34 | C33 | H33 | 107.2° | 109.5° |
| C33 | C35 | C36 | 109.7° | 109.5° |
| C35 | C33 | H33 | 106.5° | 109.5° |
| C33 | C35 | H35 | 109.4° | 109.4° |
| C33 | C35 | H35A | 109.4° | 109.5° |
| O34 | C38 | N39 | 122.4° | 120.0° |
| O34 | C38 | O44 | 116.7° | 120.0° |
| C35 | C36 | C37 | 108.6° | 109.4° |
| C36 | C35 | H35 | 109.4° | 109.5° |
| C36 | C35 | H35A | 109.4° | 109.5° |
| C35 | C36 | H36 | 109.7° | 109.5° |
| C35 | C36 | H36A | 109.7° | 109.5° |
| C37 | C36 | H36 | 109.7° | 109.6° |
| C37 | C36 | H36A | 109.7° | 109.4° |
| C36 | C37 | H37 | 109.7° | 109.5° |
| C36 | C37 | H37A | 109.6° | 109.4° |
| N39 | C38 | O44 | 120.9° | 120.0° |
| C38 | N39 | C40 | 124.5° | 120.0° |
| C38 | N39 | HN39 | 117.8° | 120.0° |
| N39 | C40 | C41 | 113.6° | 109.5° |
| C40 | N39 | HN39 | 117.7° | 120.0° |
| N39 | C40 | H40 | 108.4° | 109.5° |
| N39 | C40 | H40A | 108.4° | 109.5° |
| C40 | C41 | N42 | 118.4° | 109.5° |
| C41 | C40 | H40 | 108.5° | 109.5° |
| C41 | C40 | H40A | 108.4° | 109.5° |
| C40 | C41 | H41 | 107.2° | 109.5° |
| C40 | C41 | H41A | 107.2° | 109.5° |
| C41 | N42 | C43 | 111.8° | 109.5° |
| C41 | N42 | C48 | 111.1° | 109.5° |
| C41 | N42 | C49 | 109.4° | 109.5° |
| N42 | C41 | H41 | 107.2° | 109.5° |
| N42 | C41 | H41A | 107.2° | 109.5° |
| C43 | N42 | C48 | 108.0° | 109.5° |
| C43 | N42 | C49 | 111.5° | 109.5° |
| N42 | C43 | C45 | 122.2° | 109.5° |
| N42 | C43 | H43 | 106.2° | 109.5° |
| N42 | C43 | H43A | 106.2° | 109.5° |
| C48 | N42 | C49 | 104.9° | 109.5° |
| N42 | C48 | H48 | 109.5° | 109.5° |
| N42 | C48 | H48A | 109.5° | 109.5° |
| N42 | C48 | H48B | 109.5° | 109.5° |
| N42 | C49 | H49 | 109.5° | 109.4° |
| N42 | C49 | H49A | 109.4° | 109.5° |
| N42 | C49 | H49B | 109.5° | 109.4° |
| C43 | C45 | O46 | 123.1° | 120.0° |
| C43 | C45 | O47 | 115.5° | 120.0° |
| C45 | C43 | H43 | 106.2° | 109.4° |
| C45 | C43 | H43A | 106.2° | 109.5° |
| O46 | C45 | O47 | 121.4° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| H5 | C5 | H5B | 109.4° | 109.4° |
| H5A | C5 | H5B | 109.5° | 109.4° |
| H32 | C32 | H32A | 109.5° | 109.7° |
| H35 | C35 | H35A | 109.5° | 109.4° |
| H36 | C36 | H36A | 109.4° | 109.6° |
| H37 | C37 | H37A | 109.4° | 109.7° |
| H40 | C40 | H40A | 109.5° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.4° |
| H48 | C48 | H48A | 109.5° | 109.4° |
| H48 | C48 | H48B | 109.4° | 109.5° |
| H48A | C48 | H48B | 109.5° | 109.4° |
| H49 | C49 | H49A | 109.5° | 109.5° |
| H49 | C49 | H49B | 109.5° | 109.5° |
| H49A | C49 | H49B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 118.9° | 120.0° |
| C1 | C2 | C3 | C5 | 121.3° | 120.0° |
| C1 | C2 | C4 | C5 | 118.1° | 120.1° |
| C1 | C2 | C4 | N6 | 84.1° | 104.9° |
| C1 | C2 | C4 | C9 | 94.4° | 74.7° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 119.9° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3A | 60.0° | 180.0° |
| C1 | C2 | C3 | H3B | 60.0° | 60.0° |
| C1 | C2 | C5 | H5 | 180.0° | 59.9° |
| C1 | C2 | C5 | H5A | 60.0° | 180.0° |
| C1 | C2 | C5 | H5B | 60.0° | 60.0° |
| C3 | C2 | C4 | C5 | 121.9° | 119.9° |
| C3 | C2 | C4 | N6 | 35.9° | 15.1° |
| C3 | C2 | C4 | C9 | 145.6° | 165.3° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 180.0° |
| C3 | C2 | C1 | H1B | 60.0° | 60.0° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.0° |
| C3 | C2 | C5 | H5 | 59.4° | 60.0° |
| C3 | C2 | C5 | H5A | 60.6° | 60.0° |
| C3 | C2 | C5 | H5B | 179.4° | 180.0° |
| C2 | C4 | N6 | C9 | 178.5° | 179.6° |
| C2 | C4 | N6 | C7 | 179.4° | 180.0° |
| C2 | C4 | C9 | S8 | 179.6° | 180.0° |
| C4 | C2 | C1 | H1 | 57.5° | 180.0° |
| C4 | C2 | C1 | H1A | 177.5° | 60.0° |
| C4 | C2 | C1 | H1B | 62.5° | 60.0° |
| C4 | C2 | C3 | H3 | 61.1° | 60.0° |
| C4 | C2 | C3 | H3A | 58.9° | 60.0° |
| C4 | C2 | C3 | H3B | 178.9° | 180.0° |
| C4 | C2 | C5 | H5 | 63.9° | 180.0° |
| C4 | C2 | C5 | H5A | 176.1° | 59.9° |
| C4 | C2 | C5 | H5B | 56.1° | 60.1° |
| C2 | C4 | C9 | H9 | 0.4° | 0.0° |
| C5 | C2 | C4 | N6 | 157.8° | 135.0° |
| C5 | C2 | C4 | C9 | 23.8° | 45.3° |
| C5 | C2 | C1 | H1 | 58.5° | 60.0° |
| C5 | C2 | C1 | H1A | 61.5° | 60.0° |
| C5 | C2 | C1 | H1B | 178.5° | 180.0° |
| C5 | C2 | C3 | H3 | 58.7° | 180.0° |
| C5 | C2 | C3 | H3A | 178.7° | 60.0° |
| C5 | C2 | C3 | H3B | 61.3° | 60.0° |
| C2 | C5 | H5 | H5A | 120.0° | 120.1° |
| C2 | C5 | H5 | H5B | 120.0° | 120.0° |
| C2 | C5 | H5A | H5B | 120.0° | 120.0° |
| C4 | N6 | C7 | S8 | 0.3° | 0.1° |
| C4 | N6 | C7 | N10 | 179.4° | 179.9° |
| N6 | C4 | C9 | S8 | 1.1° | 0.4° |
| N6 | C4 | C9 | H9 | 178.9° | 179.7° |
| C9 | C4 | N6 | C7 | 1.0° | 0.3° |
| C4 | C9 | S8 | C7 | 0.7° | 0.3° |
| C4 | C9 | S8 | H9 | 180.0° | 180.0° |
| N6 | C7 | S8 | N10 | 179.7° | 180.0° |
| N6 | C7 | S8 | C9 | 0.3° | 0.1° |
| N6 | C7 | N10 | C11 | 146.2° | 179.9° |
| N6 | C7 | N10 | HN10 | 33.8° | 0.0° |
| S8 | C7 | N10 | C11 | 33.5° | 0.1° |
| C7 | S8 | C9 | H9 | 179.3° | 179.8° |
| S8 | C7 | N10 | HN10 | 146.4° | 180.0° |
| N10 | C7 | S8 | C9 | 180.0° | 179.9° |
| C7 | N10 | C11 | HN10 | 180.0° | 179.9° |
| C7 | N10 | C11 | C12 | 169.4° | 180.0° |
| C7 | N10 | C11 | O13 | 12.1° | 0.1° |
| N10 | C11 | C12 | O13 | 178.5° | 180.0° |
| N10 | C11 | C12 | C14 | 26.9° | 179.9° |
| N10 | C11 | C12 | C18 | 151.5° | 0.2° |
| C11 | C12 | C14 | C18 | 178.3° | 179.7° |
| C11 | C12 | C14 | C15 | 179.2° | 180.0° |
| C11 | C12 | C18 | C17 | 179.0° | 179.7° |
| C12 | C11 | N10 | HN10 | 10.6° | 0.1° |
| C11 | C12 | C14 | H14 | 0.8° | 0.0° |
| C11 | C12 | C18 | H18 | 1.0° | 0.1° |
| O13 | C11 | C12 | C14 | 154.5° | 0.0° |
| O13 | C11 | C12 | C18 | 27.1° | 179.7° |
| O13 | C11 | N10 | HN10 | 167.9° | 180.0° |
| C12 | C14 | C15 | H14 | 180.0° | 179.9° |
| C12 | C14 | C15 | N16 | 0.9° | 0.0° |
| C12 | C14 | C15 | N19 | 178.9° | 180.0° |
| C14 | C12 | C18 | C17 | 0.8° | 0.6° |
| C14 | C12 | C18 | H18 | 179.2° | 179.6° |
| C18 | C12 | C14 | C15 | 0.9° | 0.3° |
| C12 | C18 | C17 | N16 | 0.6° | 0.7° |
| C12 | C18 | C17 | H18 | 180.0° | 179.7° |
| C18 | C12 | C14 | H14 | 179.1° | 179.7° |
| C12 | C18 | C17 | H17 | 179.4° | 179.7° |
| C14 | C15 | N16 | N19 | 179.8° | 179.9° |
| C14 | C15 | N16 | C17 | 0.8° | 0.0° |
| C14 | C15 | N16 | C20 | 180.0° | 179.9° |
| C14 | C15 | N19 | C21 | 179.7° | 180.0° |
| C15 | N16 | C17 | C20 | 179.2° | 179.9° |
| C15 | N16 | C17 | C18 | 0.7° | 0.4° |
| N16 | C15 | N19 | C21 | 0.5° | 0.0° |
| C15 | N16 | C20 | C22 | 0.1° | 0.1° |
| C15 | N16 | C20 | O23 | 179.6° | 180.0° |
| N16 | C15 | C14 | H14 | 179.1° | 180.0° |
| C15 | N16 | C17 | H17 | 179.3° | 180.0° |
| N19 | C15 | N16 | C17 | 178.9° | 179.9° |
| N19 | C15 | N16 | C20 | 0.2° | 0.0° |
| C15 | N19 | C21 | C22 | 0.5° | 0.1° |
| C15 | N19 | C21 | N24 | 179.4° | 180.0° |
| N19 | C15 | C14 | H14 | 1.1° | 0.1° |
| N16 | C17 | C18 | H17 | 180.0° | 179.6° |
| C17 | N16 | C20 | C22 | 179.3° | 180.0° |
| C17 | N16 | C20 | O23 | 0.4° | 0.1° |
| N16 | C17 | C18 | H18 | 179.4° | 179.6° |
| C20 | N16 | C17 | C18 | 179.8° | 179.7° |
| N16 | C20 | C22 | O23 | 179.7° | 179.9° |
| N16 | C20 | C22 | C21 | 0.2° | 0.1° |
| N16 | C20 | C22 | C25 | 179.7° | 180.0° |
| C20 | N16 | C17 | H17 | 0.2° | 0.1° |
| N19 | C21 | C22 | C20 | 0.1° | 0.1° |
| N19 | C21 | C22 | N24 | 179.9° | 180.0° |
| N19 | C21 | C22 | C25 | 180.0° | 180.0° |
| N19 | C21 | N24 | C32 | 61.1° | 94.9° |
| N19 | C21 | N24 | C37 | 117.4° | 84.8° |
| C20 | C22 | C21 | C25 | 179.9° | 179.9° |
| C20 | C22 | C21 | N24 | 179.8° | 179.9° |
| C20 | C22 | C25 | C26 | 26.0° | 5.9° |
| C20 | C22 | C25 | H25 | 154.0° | 174.0° |
| O23 | C20 | C22 | C21 | 179.6° | 180.0° |
| O23 | C20 | C22 | C25 | 0.5° | 0.0° |
| C22 | C21 | N24 | C32 | 118.8° | 85.1° |
| C22 | C21 | N24 | C37 | 62.7° | 95.2° |
| C21 | C22 | C25 | C26 | 153.9° | 174.0° |
| C21 | C22 | C25 | H25 | 26.1° | 6.0° |
| N24 | C21 | C22 | C25 | 0.1° | 0.0° |
| C21 | N24 | C32 | C37 | 178.4° | 179.7° |
| C21 | N24 | C32 | C33 | 144.6° | 126.4° |
| C21 | N24 | C37 | C36 | 166.8° | 126.4° |
| C21 | N24 | C32 | H32 | 24.0° | 113.9° |
| C21 | N24 | C32 | H32A | 94.7° | 6.5° |
| C21 | N24 | C37 | H37 | 73.3° | 6.6° |
| C21 | N24 | C37 | H37A | 46.9° | 113.9° |
| C22 | C25 | C26 | H25 | 180.0° | 180.0° |
| C22 | C25 | C26 | C27 | 180.0° | 173.2° |
| C22 | C25 | C26 | H26 | 0.0° | 6.8° |
| N24 | C32 | C33 | H32 | 120.6° | 119.8° |
| N24 | C32 | C33 | H32A | 120.6° | 119.8° |
| N24 | C32 | C33 | O34 | 125.8° | 174.6° |
| N24 | C32 | C33 | C35 | 1.2° | 54.6° |
| C32 | N24 | C37 | C36 | 14.8° | 53.3° |
| N24 | C32 | H32 | H32A | 118.1° | 120.3° |
| N24 | C32 | C33 | H33 | 115.8° | 65.4° |
| C32 | N24 | C37 | H37 | 105.1° | 173.1° |
| C32 | N24 | C37 | H37A | 134.7° | 66.4° |
| C37 | N24 | C32 | C33 | 37.0° | 53.3° |
| N24 | C37 | C36 | C35 | 39.1° | 54.4° |
| N24 | C37 | C36 | H37 | 119.9° | 119.9° |
| N24 | C37 | C36 | H37A | 119.9° | 119.8° |
| C37 | N24 | C32 | H32 | 157.6° | 66.5° |
| C37 | N24 | C32 | H32A | 83.6° | 173.1° |
| N24 | C37 | C36 | H36 | 159.0° | 174.4° |
| N24 | C37 | C36 | H36A | 80.8° | 65.5° |
| N24 | C37 | H37 | H37A | 120.3° | 120.4° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | N28 | 46.3° | 0.1° |
| C25 | C26 | C27 | N31 | 135.9° | 179.7° |
| C26 | C27 | N28 | N31 | 177.9° | 179.7° |
| C26 | C27 | N28 | N29 | 178.6° | 180.0° |
| C26 | C27 | N31 | N30 | 179.0° | 179.9° |
| C27 | C26 | C25 | H25 | 0.0° | 6.8° |
| C26 | C27 | N31 | HN31 | 1.0° | 0.0° |
| C27 | N28 | N29 | N30 | 0.0° | 0.0° |
| N28 | C27 | N31 | N30 | 1.1° | 0.4° |
| N28 | C27 | C26 | H26 | 133.7° | 180.0° |
| N28 | C27 | N31 | HN31 | 178.9° | 179.7° |
| N31 | C27 | N28 | N29 | 0.7° | 0.3° |
| C27 | N31 | N30 | N29 | 1.0° | 0.4° |
| C27 | N31 | N30 | HN31 | 180.0° | 179.9° |
| N31 | C27 | C26 | H26 | 44.1° | 0.3° |
| N28 | N29 | N30 | N31 | 0.6° | 0.2° |
| N29 | N30 | N31 | HN31 | 179.0° | 179.7° |
| C32 | C33 | O34 | C35 | 125.8° | 119.9° |
| C32 | C33 | O34 | H33 | 117.9° | 120.0° |
| C32 | C33 | C35 | H33 | 114.5° | 119.9° |
| C32 | C33 | O34 | C38 | 86.0° | 150.0° |
| C32 | C33 | C35 | C36 | 50.6° | 61.3° |
| C33 | C32 | H32 | H32A | 118.0° | 120.4° |
| C32 | C33 | C35 | H35 | 69.4° | 58.7° |
| C32 | C33 | C35 | H35A | 170.6° | 178.6° |
| O34 | C33 | C35 | H33 | 116.7° | 120.0° |
| O34 | C33 | C35 | C36 | 179.4° | 178.7° |
| C33 | O34 | C38 | N39 | 101.8° | 180.0° |
| C33 | O34 | C38 | O44 | 80.5° | 0.0° |
| O34 | C33 | C32 | H32 | 5.1° | 54.8° |
| O34 | C33 | C32 | H32A | 113.6° | 65.6° |
| O34 | C33 | C35 | H35 | 59.4° | 61.3° |
| O34 | C33 | C35 | H35A | 60.6° | 58.6° |
| C35 | C33 | O34 | C38 | 39.8° | 90.1° |
| C33 | C35 | C36 | H35 | 120.0° | 120.0° |
| C33 | C35 | C36 | H35A | 120.0° | 120.1° |
| C33 | C35 | C36 | C37 | 75.1° | 61.2° |
| C35 | C33 | C32 | H32 | 121.8° | 65.2° |
| C35 | C33 | C32 | H32A | 119.5° | 174.4° |
| C33 | C35 | H35 | H35A | 119.9° | 120.0° |
| C33 | C35 | C36 | H36 | 165.1° | 178.7° |
| C33 | C35 | C36 | H36A | 44.8° | 58.6° |
| O34 | C38 | N39 | O44 | 177.6° | 180.0° |
| O34 | C38 | N39 | C40 | 114.9° | 180.0° |
| C38 | O34 | C33 | H33 | 156.1° | 30.0° |
| O34 | C38 | N39 | HN39 | 65.1° | 0.0° |
| C35 | C36 | C37 | H36 | 119.9° | 120.0° |
| C35 | C36 | C37 | H36A | 119.9° | 119.9° |
| C36 | C35 | C33 | H33 | 63.9° | 58.6° |
| C36 | C35 | H35 | H35A | 119.9° | 119.9° |
| C35 | C36 | H36 | H36A | 120.4° | 120.0° |
| C35 | C36 | C37 | H37 | 159.1° | 174.3° |
| C35 | C36 | C37 | H37A | 80.8° | 65.4° |
| C37 | C36 | C35 | H35 | 45.0° | 58.8° |
| C37 | C36 | C35 | H35A | 164.9° | 178.7° |
| C37 | C36 | H36 | H36A | 120.4° | 120.0° |
| C36 | C37 | H37 | H37A | 120.3° | 120.1° |
| C38 | N39 | C40 | HN39 | 180.0° | 180.0° |
| C38 | N39 | C40 | C41 | 139.7° | 180.0° |
| C38 | N39 | C40 | H40 | 19.0° | 60.0° |
| C38 | N39 | C40 | H40A | 99.7° | 60.0° |
| O44 | C38 | N39 | C40 | 67.5° | 0.0° |
| O44 | C38 | N39 | HN39 | 112.5° | 180.0° |
| N39 | C40 | C41 | H40 | 120.6° | 120.0° |
| N39 | C40 | C41 | H40A | 120.6° | 120.0° |
| N39 | C40 | C41 | N42 | 125.3° | 180.0° |
| N39 | C40 | H40 | H40A | 118.1° | 120.0° |
| N39 | C40 | C41 | H41 | 113.4° | 60.0° |
| N39 | C40 | C41 | H41A | 4.1° | 60.0° |
| C40 | C41 | N42 | H41 | 121.3° | 120.0° |
| C40 | C41 | N42 | H41A | 121.3° | 120.0° |
| C40 | C41 | N42 | C43 | 61.5° | 180.0° |
| C40 | C41 | N42 | C48 | 59.3° | 60.0° |
| C40 | C41 | N42 | C49 | 174.6° | 60.0° |
| C41 | C40 | N39 | HN39 | 40.3° | 0.0° |
| C41 | C40 | H40 | H40A | 118.1° | 120.0° |
| C40 | C41 | H41 | H41A | 116.0° | 120.0° |
| C41 | N42 | C43 | C48 | 122.6° | 120.0° |
| C41 | N42 | C43 | C49 | 122.7° | 120.0° |
| C41 | N42 | C48 | C49 | 118.1° | 120.0° |
| C41 | N42 | C43 | C45 | 84.5° | 178.2° |
| N42 | C41 | C40 | H40 | 4.7° | 60.0° |
| N42 | C41 | C40 | H40A | 114.1° | 60.0° |
| N42 | C41 | H41 | H41A | 115.9° | 120.0° |
| C41 | N42 | C43 | H43 | 37.2° | 61.8° |
| C41 | N42 | C43 | H43A | 153.7° | 58.1° |
| C41 | N42 | C48 | H48 | 180.0° | 64.9° |
| C41 | N42 | C48 | H48A | 60.0° | 175.1° |
| C41 | N42 | C48 | H48B | 60.0° | 55.1° |
| C41 | N42 | C49 | H49 | 180.0° | 65.2° |
| C41 | N42 | C49 | H49A | 60.0° | 174.7° |
| C41 | N42 | C49 | H49B | 60.0° | 54.7° |
| C43 | N42 | C48 | C49 | 119.0° | 120.0° |
| N42 | C43 | C45 | H43 | 121.7° | 120.0° |
| N42 | C43 | C45 | H43A | 121.8° | 120.0° |
| N42 | C43 | C45 | O46 | 38.1° | 6.1° |
| N42 | C43 | C45 | O47 | 143.6° | 173.9° |
| C43 | N42 | C41 | H41 | 177.2° | 60.0° |
| C43 | N42 | C41 | H41A | 59.8° | 60.0° |
| N42 | C43 | H43 | H43A | 114.2° | 120.0° |
| C43 | N42 | C48 | H48 | 57.1° | 175.1° |
| C43 | N42 | C48 | H48A | 63.0° | 55.1° |
| C43 | N42 | C48 | H48B | 177.0° | 64.9° |
| C43 | N42 | C49 | H49 | 55.9° | 54.8° |
| C43 | N42 | C49 | H49A | 175.9° | 65.2° |
| C43 | N42 | C49 | H49B | 64.1° | 174.8° |
| C48 | N42 | C43 | C45 | 152.9° | 58.2° |
| C48 | N42 | C41 | H41 | 62.0° | 180.0° |
| C48 | N42 | C41 | H41A | 179.5° | 60.0° |
| C48 | N42 | C43 | H43 | 85.3° | 178.2° |
| C48 | N42 | C43 | H43A | 31.1° | 61.9° |
| N42 | C48 | H48 | H48A | 120.0° | 120.0° |
| N42 | C48 | H48 | H48B | 120.0° | 120.1° |
| N42 | C48 | H48A | H48B | 120.0° | 120.0° |
| C48 | N42 | C49 | H49 | 60.7° | 174.8° |
| C48 | N42 | C49 | H49A | 59.3° | 54.7° |
| C48 | N42 | C49 | H49B | 179.3° | 65.3° |
| C49 | N42 | C43 | C45 | 38.2° | 61.8° |
| C49 | N42 | C41 | H41 | 53.3° | 60.0° |
| C49 | N42 | C41 | H41A | 64.1° | 180.0° |
| C49 | N42 | C43 | H43 | 160.0° | 58.2° |
| C49 | N42 | C43 | H43A | 83.6° | 178.2° |
| C49 | N42 | C48 | H48 | 61.9° | 55.1° |
| C49 | N42 | C48 | H48A | 178.1° | 64.9° |
| C49 | N42 | C48 | H48B | 58.1° | 175.2° |
| N42 | C49 | H49 | H49A | 120.0° | 120.0° |
| N42 | C49 | H49 | H49B | 120.0° | 119.9° |
| N42 | C49 | H49A | H49B | 120.0° | 119.9° |
| C43 | C45 | O46 | O47 | 178.3° | 179.9° |
| C45 | C43 | H43 | H43A | 114.3° | 120.0° |
| O46 | C45 | C43 | H43 | 83.7° | 114.0° |
| O46 | C45 | C43 | H43A | 159.8° | 126.1° |
| O47 | C45 | C43 | H43 | 94.7° | 66.1° |
| O47 | C45 | C43 | H43A | 21.8° | 53.9° |
| H1 | C1 | H1A | H1B | 120.0° | 120.1° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H5 | C5 | H5A | H5B | 120.0° | 119.9° |
| H17 | C17 | C18 | H18 | 0.6° | 0.0° |
| H25 | C25 | C26 | H26 | 180.0° | 173.2° |
| H32 | C32 | C33 | H33 | 123.6° | 174.9° |
| H32A | C32 | C33 | H33 | 4.8° | 54.4° |
| H33 | C33 | C35 | H35 | 176.1° | 178.6° |
| H33 | C33 | C35 | H35A | 56.2° | 61.4° |
| H35 | C35 | C36 | H36 | 74.9° | 61.3° |
| H35 | C35 | C36 | H36A | 164.9° | 178.6° |
| H35A | C35 | C36 | H36 | 45.0° | 58.6° |
| H35A | C35 | C36 | H36A | 75.2° | 61.4° |
| H36 | C36 | C37 | H37 | 81.1° | 65.7° |
| H36 | C36 | C37 | H37A | 39.1° | 54.6° |
| H36A | C36 | C37 | H37 | 39.2° | 54.4° |
| H36A | C36 | C37 | H37A | 159.3° | 174.7° |
| HN39 | N39 | C40 | H40 | 161.0° | 120.0° |
| HN39 | N39 | C40 | H40A | 80.3° | 120.0° |
| H40 | C40 | C41 | H41 | 126.0° | 180.0° |
| H40 | C40 | C41 | H41A | 116.6° | 60.0° |
| H40A | C40 | C41 | H41 | 7.2° | 60.0° |
| H40A | C40 | C41 | H41A | 124.7° | 180.0° |
| H48 | C48 | H48A | H48B | 119.9° | 119.9° |
| H49 | C49 | H49A | H49B | 120.0° | 120.1° |
