A1EKQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N47 | C46 | sing | 1.37Å | 1.46Å | |
| C46 | N45 | sing | 1.36Å | 1.47Å | |
| C46 | N48 | doub | 1.32Å | 1.45Å | |
| N45 | C44 | sing | 1.38Å | 1.51Å | |
| N48 | C49 | sing | 1.34Å | 1.44Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | C36 | sing | 1.53Å | 1.44Å | |
| C38 | N39 | sing | 1.47Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.48Å | |
| C04 | C03 | sing | 1.53Å | 1.47Å | |
| O25 | C03 | sing | 1.43Å | 1.44Å | |
| C05 | C06 | sing | 1.51Å | 1.54Å | |
| O34 | C32 | doub | 1.21Å | 1.19Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.45Å | |
| C49 | O50 | doub | 1.22Å | 1.18Å | |
| C49 | C51 | sing | 1.42Å | 1.55Å | |
| C44 | C51 | doub | 1.39Å | 1.37Å | Aromatic |
| C44 | N41 | sing | 1.34Å | 1.35Å | Aromatic |
| N39 | C40 | sing | 1.47Å | 1.43Å | |
| N39 | C33 | sing | 1.47Å | 1.46Å | |
| C35 | C33 | sing | 1.53Å | 1.55Å | |
| C51 | N43 | sing | 1.38Å | 1.36Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.55Å | |
| C32 | N31 | sing | 1.35Å | 1.48Å | |
| N41 | C42 | doub | 1.31Å | 1.36Å | Aromatic |
| C06 | O23 | doub | 1.21Å | 1.18Å | |
| C06 | C01 | sing | 1.47Å | 1.58Å | |
| C02 | C01 | doub | 1.41Å | 1.51Å | Aromatic |
| C02 | C10 | sing | 1.36Å | 1.47Å | Aromatic |
| N31 | C20 | sing | 1.47Å | 1.47Å | |
| N43 | C42 | sing | 1.35Å | 1.36Å | Aromatic |
| N43 | C30 | sing | 1.46Å | 1.49Å | |
| C01 | C07 | sing | 1.40Å | 1.48Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.48Å | Aromatic |
| C30 | C19 | sing | 1.53Å | 1.56Å | |
| C20 | C19 | sing | 1.54Å | 1.55Å | |
| C20 | C21 | sing | 1.55Å | 1.56Å | |
| C07 | O24 | sing | 1.35Å | 1.40Å | |
| C07 | C08 | doub | 1.41Å | 1.49Å | Aromatic |
| C09 | C08 | sing | 1.43Å | 1.50Å | Aromatic |
| C09 | C14 | sing | 1.39Å | 1.48Å | Aromatic |
| O18 | C14 | sing | 1.36Å | 1.38Å | |
| O18 | C17 | sing | 1.43Å | 1.44Å | |
| C19 | C17 | sing | 1.55Å | 1.54Å | |
| C19 | O29 | sing | 1.43Å | 1.41Å | |
| C21 | O22 | sing | 1.44Å | 1.44Å | |
| C08 | C11 | sing | 1.41Å | 1.45Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.46Å | Aromatic |
| C17 | O22 | sing | 1.45Å | 1.43Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | doub | 1.39Å | 1.46Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C15 | sing | 1.52Å | 1.40Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | C26 | sing | 1.47Å | 1.50Å | |
| C15 | O27 | sing | 1.45Å | 1.41Å | |
| O27 | C26 | sing | 1.36Å | 1.44Å | |
| C26 | O28 | doub | 1.22Å | 1.19Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.08Å | 1.08Å | |
| N31 | H29 | sing | 0.97Å | 1.00Å | |
| N45 | H31 | sing | 0.97Å | 1.00Å | |
| N47 | H32 | sing | 0.97Å | 1.00Å | |
| N47 | H33 | sing | 0.97Å | 1.00Å | |
| O24 | H34 | sing | 0.97Å | 0.95Å | |
| O25 | H35 | sing | 0.97Å | 0.95Å | |
| O29 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N47 | C46 | N45 | 119.8° | 119.1° |
| N47 | C46 | N48 | 120.3° | 119.1° |
| C46 | N47 | H32 | 120.0° | 119.9° |
| C46 | N47 | H33 | 120.0° | 120.0° |
| N45 | C46 | N48 | 119.9° | 121.9° |
| C46 | N45 | C44 | 120.3° | 119.9° |
| C46 | N45 | H31 | 119.9° | 120.1° |
| C46 | N48 | C49 | 119.6° | 121.5° |
| N45 | C44 | C51 | 120.2° | 118.6° |
| N45 | C44 | N41 | 131.8° | 134.1° |
| C44 | N45 | H31 | 119.8° | 120.1° |
| N48 | C49 | O50 | 119.9° | 120.4° |
| N48 | C49 | C51 | 120.3° | 119.3° |
| C38 | C37 | C36 | 109.7° | 109.3° |
| C37 | C38 | N39 | 115.3° | 109.5° |
| C38 | C37 | H21 | 109.4° | 109.5° |
| C38 | C37 | H22 | 109.4° | 109.5° |
| C37 | C38 | H23 | 108.0° | 109.4° |
| C37 | C38 | H24 | 108.0° | 109.5° |
| C37 | C36 | C35 | 110.9° | 109.1° |
| C37 | C36 | H19 | 109.1° | 109.5° |
| C37 | C36 | H20 | 109.1° | 109.6° |
| C36 | C37 | H21 | 109.4° | 109.6° |
| C36 | C37 | H22 | 109.4° | 109.5° |
| C38 | N39 | C40 | 110.2° | 111.0° |
| C38 | N39 | C33 | 120.5° | 111.2° |
| N39 | C38 | H23 | 108.0° | 109.4° |
| N39 | C38 | H24 | 108.0° | 109.5° |
| C05 | C04 | C03 | 108.4° | 109.4° |
| C04 | C05 | C06 | 115.1° | 107.5° |
| C05 | C04 | H10 | 109.7° | 109.5° |
| C05 | C04 | H11 | 109.7° | 109.5° |
| C04 | C05 | H12 | 108.0° | 109.9° |
| C04 | C05 | H13 | 108.0° | 109.9° |
| C04 | C03 | O25 | 115.6° | 109.1° |
| C04 | C03 | C02 | 113.5° | 111.2° |
| C04 | C03 | H9 | 106.3° | 109.1° |
| C03 | C04 | H10 | 109.8° | 109.5° |
| C03 | C04 | H11 | 109.8° | 109.5° |
| O25 | C03 | C02 | 108.4° | 109.1° |
| O25 | C03 | H9 | 106.7° | 109.1° |
| C03 | O25 | H35 | 109.5° | 114.0° |
| C05 | C06 | O23 | 123.4° | 121.1° |
| C05 | C06 | C01 | 117.4° | 117.8° |
| C06 | C05 | H12 | 108.1° | 109.8° |
| C06 | C05 | H13 | 108.0° | 109.9° |
| O34 | C32 | C33 | 117.7° | 120.0° |
| O34 | C32 | N31 | 116.1° | 120.0° |
| C03 | C02 | C01 | 117.2° | 121.3° |
| C03 | C02 | C10 | 122.0° | 118.7° |
| C02 | C03 | H9 | 105.6° | 109.1° |
| C36 | C35 | C33 | 116.1° | 109.3° |
| C36 | C35 | H17 | 107.8° | 109.5° |
| C36 | C35 | H18 | 107.8° | 109.5° |
| C35 | C36 | H19 | 109.1° | 109.6° |
| C35 | C36 | H20 | 109.1° | 109.6° |
| O50 | C49 | C51 | 119.8° | 120.3° |
| C49 | C51 | C44 | 119.7° | 118.9° |
| C49 | C51 | N43 | 132.3° | 134.8° |
| C51 | C44 | N41 | 108.0° | 107.3° |
| C44 | C51 | N43 | 108.0° | 106.3° |
| C44 | N41 | C42 | 108.2° | 109.7° |
| C40 | N39 | C33 | 110.4° | 111.0° |
| N39 | C40 | H25 | 109.5° | 109.5° |
| N39 | C40 | H26 | 109.5° | 109.5° |
| N39 | C40 | H27 | 109.5° | 109.5° |
| N39 | C33 | C35 | 116.5° | 109.5° |
| N39 | C33 | C32 | 106.7° | 109.5° |
| N39 | C33 | H16 | 108.8° | 109.4° |
| C35 | C33 | C32 | 109.3° | 109.5° |
| C35 | C33 | H16 | 107.6° | 109.5° |
| C33 | C35 | H17 | 107.8° | 109.5° |
| C33 | C35 | H18 | 107.8° | 109.5° |
| C51 | N43 | C42 | 107.7° | 107.0° |
| C51 | N43 | C30 | 125.9° | 126.5° |
| C33 | C32 | N31 | 126.2° | 120.0° |
| C32 | C33 | H16 | 107.6° | 109.5° |
| C32 | N31 | C20 | 127.1° | 120.0° |
| C32 | N31 | H29 | 116.4° | 120.0° |
| N41 | C42 | N43 | 108.1° | 109.7° |
| N41 | C42 | H28 | 126.0° | 125.2° |
| O23 | C06 | C01 | 119.0° | 121.1° |
| C06 | C01 | C02 | 116.4° | 120.0° |
| C06 | C01 | C07 | 121.8° | 119.3° |
| C01 | C02 | C10 | 120.7° | 120.0° |
| C02 | C01 | C07 | 121.8° | 120.7° |
| C02 | C10 | C09 | 116.1° | 121.1° |
| C02 | C10 | H1 | 122.0° | 119.4° |
| N31 | C20 | C19 | 113.7° | 110.5° |
| N31 | C20 | C21 | 110.0° | 110.5° |
| N31 | C20 | H6 | 111.1° | 110.6° |
| C20 | N31 | H29 | 116.4° | 120.0° |
| C42 | N43 | C30 | 126.4° | 126.5° |
| N43 | C42 | H28 | 126.0° | 125.1° |
| N43 | C30 | C19 | 118.0° | 109.4° |
| N43 | C30 | H14 | 107.3° | 109.5° |
| N43 | C30 | H15 | 107.3° | 109.5° |
| C01 | C07 | O24 | 119.0° | 120.2° |
| C01 | C07 | C08 | 119.2° | 119.7° |
| C10 | C09 | C08 | 125.8° | 119.7° |
| C10 | C09 | C14 | 116.9° | 122.0° |
| C09 | C10 | H1 | 122.0° | 119.5° |
| C30 | C19 | C20 | 119.2° | 110.6° |
| C30 | C19 | C17 | 103.1° | 110.5° |
| C30 | C19 | O29 | 112.7° | 110.5° |
| C19 | C30 | H14 | 107.3° | 109.5° |
| C19 | C30 | H15 | 107.3° | 109.5° |
| C19 | C20 | C21 | 102.1° | 104.1° |
| C20 | C19 | C17 | 101.1° | 104.1° |
| C20 | C19 | O29 | 106.8° | 110.5° |
| C19 | C20 | H6 | 109.9° | 110.5° |
| C20 | C21 | O22 | 107.2° | 104.8° |
| C21 | C20 | H6 | 109.8° | 110.5° |
| C20 | C21 | H7 | 110.1° | 110.4° |
| C20 | C21 | H8 | 110.0° | 110.4° |
| O24 | C07 | C08 | 121.9° | 120.2° |
| C07 | O24 | H34 | 109.5° | 114.0° |
| C07 | C08 | C09 | 116.5° | 118.8° |
| C07 | C08 | C11 | 121.2° | 120.0° |
| C08 | C09 | C14 | 117.3° | 118.3° |
| C09 | C08 | C11 | 122.2° | 121.2° |
| C09 | C14 | O18 | 115.0° | 129.8° |
| C09 | C14 | C13 | 118.8° | 118.4° |
| C14 | O18 | C17 | 112.3° | 116.9° |
| O18 | C14 | C13 | 126.1° | 111.7° |
| O18 | C17 | C19 | 121.0° | 108.4° |
| O18 | C17 | O22 | 113.0° | 108.4° |
| O18 | C17 | C16 | 119.3° | 117.2° |
| C17 | C19 | O29 | 113.5° | 110.5° |
| C19 | C17 | O22 | 102.1° | 104.5° |
| C19 | C17 | C16 | 109.2° | 108.7° |
| C19 | O29 | H36 | 109.5° | 114.0° |
| C21 | O22 | C17 | 103.0° | 105.3° |
| O22 | C21 | H7 | 110.1° | 110.4° |
| O22 | C21 | H8 | 110.0° | 110.4° |
| C08 | C11 | C12 | 117.6° | 119.4° |
| C08 | C11 | H2 | 121.2° | 120.3° |
| C14 | C13 | C12 | 122.3° | 124.8° |
| C14 | C13 | C15 | 123.5° | 126.5° |
| O22 | C17 | C16 | 85.2° | 108.8° |
| C17 | C16 | C15 | 115.0° | 113.4° |
| C17 | C16 | H4 | 108.1° | 108.2° |
| C17 | C16 | H5 | 108.1° | 108.8° |
| C11 | C12 | C13 | 121.7° | 117.4° |
| C11 | C12 | C26 | 135.7° | 136.5° |
| C12 | C11 | H2 | 121.2° | 120.3° |
| C12 | C13 | C15 | 114.2° | 108.6° |
| C13 | C12 | C26 | 102.4° | 106.2° |
| C13 | C15 | C16 | 107.5° | 104.8° |
| C13 | C15 | O27 | 102.7° | 103.9° |
| C13 | C15 | H3 | 106.8° | 111.1° |
| C16 | C15 | O27 | 126.5° | 114.1° |
| C16 | C15 | H3 | 105.4° | 111.5° |
| C15 | C16 | H4 | 108.1° | 108.8° |
| C15 | C16 | H5 | 108.1° | 108.8° |
| C12 | C26 | O27 | 105.1° | 110.4° |
| C12 | C26 | O28 | 127.0° | 124.7° |
| C15 | O27 | C26 | 108.3° | 109.5° |
| O27 | C15 | H3 | 106.6° | 111.0° |
| O27 | C26 | O28 | 127.3° | 124.8° |
| H4 | C16 | H5 | 109.4° | 108.8° |
| H7 | C21 | H8 | 109.5° | 110.4° |
| H10 | C04 | H11 | 109.5° | 109.5° |
| H12 | C05 | H13 | 109.5° | 109.9° |
| H14 | C30 | H15 | 109.5° | 109.5° |
| H17 | C35 | H18 | 109.4° | 109.5° |
| H19 | C36 | H20 | 109.5° | 109.6° |
| H21 | C37 | H22 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.4° | 109.5° |
| H25 | C40 | H26 | 109.5° | 109.4° |
| H25 | C40 | H27 | 109.5° | 109.5° |
| H26 | C40 | H27 | 109.5° | 109.5° |
| H32 | N47 | H33 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N47 | C46 | N45 | N48 | 179.2° | 180.0° |
| N47 | C46 | N45 | C44 | 180.0° | 180.0° |
| N47 | C46 | N48 | C49 | 179.9° | 180.0° |
| N47 | C46 | N45 | H31 | 0.0° | 0.0° |
| C46 | N47 | H32 | H33 | 180.0° | 180.0° |
| C46 | N45 | C44 | H31 | 180.0° | 180.0° |
| N45 | C46 | N48 | C49 | 0.7° | 0.0° |
| C46 | N45 | C44 | C51 | 0.5° | 0.0° |
| C46 | N45 | C44 | N41 | 179.6° | 180.0° |
| N45 | C46 | N47 | H32 | 179.1° | 5.0° |
| N45 | C46 | N47 | H33 | 0.8° | 175.0° |
| N48 | C46 | N45 | C44 | 0.8° | 0.0° |
| C46 | N48 | C49 | O50 | 179.2° | 180.0° |
| C46 | N48 | C49 | C51 | 0.3° | 0.0° |
| N48 | C46 | N45 | H31 | 179.2° | 180.0° |
| N48 | C46 | N47 | H32 | 0.0° | 175.0° |
| N48 | C46 | N47 | H33 | 180.0° | 5.0° |
| N45 | C44 | C51 | C49 | 0.1° | 0.1° |
| N45 | C44 | C51 | N41 | 179.9° | 180.0° |
| N45 | C44 | C51 | N43 | 179.6° | 180.0° |
| N45 | C44 | N41 | C42 | 180.0° | 179.8° |
| N48 | C49 | O50 | C51 | 179.5° | 179.9° |
| N48 | C49 | C51 | C44 | 0.0° | 0.1° |
| N48 | C49 | C51 | N43 | 179.6° | 179.9° |
| C38 | C37 | C36 | H21 | 120.0° | 120.0° |
| C38 | C37 | C36 | H22 | 120.0° | 119.9° |
| C37 | C38 | N39 | H23 | 120.9° | 119.9° |
| C37 | C38 | N39 | H24 | 120.9° | 120.1° |
| C38 | C37 | C36 | C35 | 64.2° | 57.7° |
| C37 | C38 | N39 | C40 | 146.5° | 174.1° |
| C37 | C38 | N39 | C33 | 16.2° | 61.8° |
| C38 | C37 | C36 | H19 | 56.0° | 177.6° |
| C38 | C37 | C36 | H20 | 175.6° | 62.3° |
| C38 | C37 | H21 | H22 | 119.9° | 120.1° |
| C37 | C38 | H23 | H24 | 117.3° | 120.0° |
| C36 | C37 | C38 | N39 | 48.3° | 59.3° |
| C37 | C36 | C35 | H19 | 120.2° | 119.8° |
| C37 | C36 | C35 | H20 | 120.2° | 119.9° |
| C37 | C36 | C35 | C33 | 48.6° | 57.7° |
| C37 | C36 | C35 | H17 | 169.6° | 62.3° |
| C37 | C36 | C35 | H18 | 72.4° | 177.6° |
| C37 | C36 | H19 | H20 | 119.3° | 120.2° |
| C36 | C37 | H21 | H22 | 119.9° | 120.1° |
| C36 | C37 | C38 | H23 | 169.2° | 179.2° |
| C36 | C37 | C38 | H24 | 72.6° | 60.8° |
| C38 | N39 | C40 | C33 | 135.6° | 124.2° |
| C38 | N39 | C33 | C35 | 0.2° | 61.8° |
| C38 | N39 | C33 | C32 | 122.1° | 178.2° |
| C38 | N39 | C33 | H16 | 122.0° | 58.2° |
| N39 | C38 | C37 | H21 | 168.3° | 60.8° |
| N39 | C38 | C37 | H22 | 71.7° | 179.2° |
| N39 | C38 | H23 | H24 | 117.3° | 120.0° |
| C38 | N39 | C40 | H25 | 180.0° | 66.9° |
| C38 | N39 | C40 | H26 | 60.0° | 173.2° |
| C38 | N39 | C40 | H27 | 60.0° | 53.2° |
| C05 | C04 | C03 | H10 | 119.8° | 120.0° |
| C05 | C04 | C03 | H11 | 119.8° | 120.0° |
| C05 | C04 | C03 | O25 | 169.2° | 175.4° |
| C04 | C05 | C06 | H12 | 120.8° | 119.5° |
| C04 | C05 | C06 | H13 | 120.8° | 119.6° |
| C05 | C04 | C03 | C02 | 64.6° | 55.0° |
| C04 | C05 | C06 | O23 | 152.3° | 137.3° |
| C04 | C05 | C06 | C01 | 22.7° | 42.7° |
| C05 | C04 | C03 | H9 | 51.0° | 65.4° |
| C05 | C04 | H10 | H11 | 120.5° | 120.1° |
| C04 | C05 | H12 | H13 | 117.4° | 121.0° |
| C04 | C03 | O25 | C02 | 128.8° | 121.7° |
| C04 | C03 | O25 | H9 | 117.9° | 119.2° |
| C03 | C04 | C05 | C06 | 56.3° | 64.1° |
| C04 | C03 | C02 | H9 | 116.0° | 120.5° |
| C04 | C03 | C02 | C01 | 38.2° | 23.6° |
| C04 | C03 | C02 | C10 | 144.3° | 156.6° |
| C03 | C04 | H10 | H11 | 120.5° | 120.0° |
| C03 | C04 | C05 | H12 | 64.5° | 55.4° |
| C03 | C04 | C05 | H13 | 177.1° | 176.4° |
| C04 | C03 | O25 | H35 | 180.0° | 58.4° |
| O25 | C03 | C02 | H9 | 114.0° | 119.1° |
| O25 | C03 | C02 | C01 | 168.2° | 144.0° |
| O25 | C03 | C02 | C10 | 14.3° | 36.2° |
| O25 | C03 | C04 | H10 | 71.0° | 64.5° |
| O25 | C03 | C04 | H11 | 49.3° | 55.5° |
| C05 | C06 | O23 | C01 | 174.9° | 180.0° |
| C05 | C06 | C01 | C02 | 4.2° | 12.1° |
| C05 | C06 | C01 | C07 | 173.4° | 168.2° |
| C06 | C05 | C04 | H10 | 63.5° | 175.9° |
| C06 | C05 | C04 | H11 | 176.2° | 55.9° |
| C06 | C05 | H12 | H13 | 117.4° | 120.9° |
| O34 | C32 | C33 | N39 | 44.8° | 26.8° |
| O34 | C32 | C33 | C35 | 82.0° | 93.3° |
| O34 | C32 | C33 | N31 | 179.7° | 180.0° |
| O34 | C32 | N31 | C20 | 179.7° | 4.8° |
| O34 | C32 | C33 | H16 | 161.4° | 146.7° |
| O34 | C32 | N31 | H29 | 0.3° | 175.2° |
| C03 | C02 | C01 | C06 | 3.3° | 1.7° |
| C03 | C02 | C01 | C10 | 177.6° | 179.8° |
| C03 | C02 | C01 | C07 | 179.0° | 178.6° |
| C03 | C02 | C10 | C09 | 179.1° | 179.8° |
| C03 | C02 | C10 | H1 | 0.9° | 0.5° |
| C02 | C03 | C04 | H10 | 55.2° | 175.1° |
| C02 | C03 | C04 | H11 | 175.6° | 64.9° |
| C02 | C03 | O25 | H35 | 51.3° | 179.9° |
| C36 | C35 | C33 | N39 | 15.6° | 59.2° |
| C36 | C35 | C33 | H17 | 121.0° | 120.0° |
| C36 | C35 | C33 | H18 | 121.0° | 119.9° |
| C36 | C35 | C33 | C32 | 136.6° | 179.2° |
| C36 | C35 | C33 | H16 | 106.8° | 60.8° |
| C36 | C35 | H17 | H18 | 117.0° | 120.1° |
| C35 | C36 | H19 | H20 | 119.4° | 120.2° |
| C35 | C36 | C37 | H21 | 175.8° | 62.3° |
| C35 | C36 | C37 | H22 | 55.8° | 177.6° |
| O50 | C49 | C51 | C44 | 179.5° | 180.0° |
| O50 | C49 | C51 | N43 | 0.9° | 0.1° |
| C49 | C51 | C44 | N43 | 179.7° | 179.9° |
| C49 | C51 | C44 | N41 | 180.0° | 179.9° |
| C49 | C51 | N43 | C42 | 179.7° | 179.9° |
| C49 | C51 | N43 | C30 | 1.0° | 0.1° |
| C51 | C44 | N41 | C42 | 0.1° | 0.2° |
| C44 | C51 | N43 | C42 | 0.6° | 0.2° |
| C44 | C51 | N43 | C30 | 179.3° | 180.0° |
| C51 | C44 | N45 | H31 | 179.5° | 179.9° |
| N41 | C44 | C51 | N43 | 0.3° | 0.0° |
| C44 | N41 | C42 | N43 | 0.5° | 0.3° |
| C44 | N41 | C42 | H28 | 179.5° | 180.0° |
| N41 | C44 | N45 | H31 | 0.4° | 0.0° |
| C40 | N39 | C33 | C35 | 130.1° | 174.2° |
| C40 | N39 | C33 | C32 | 107.6° | 54.1° |
| C40 | N39 | C33 | H16 | 8.3° | 65.8° |
| C40 | N39 | C38 | H23 | 92.6° | 54.2° |
| C40 | N39 | C38 | H24 | 25.7° | 65.8° |
| N39 | C40 | H25 | H26 | 120.0° | 120.0° |
| N39 | C40 | H25 | H27 | 120.0° | 120.0° |
| N39 | C40 | H26 | H27 | 120.0° | 120.0° |
| N39 | C33 | C35 | C32 | 121.0° | 120.0° |
| N39 | C33 | C35 | H16 | 122.4° | 120.0° |
| N39 | C33 | C32 | H16 | 116.6° | 119.9° |
| N39 | C33 | C32 | N31 | 134.9° | 153.3° |
| N39 | C33 | C35 | H17 | 136.6° | 60.8° |
| N39 | C33 | C35 | H18 | 105.4° | 179.1° |
| C33 | N39 | C38 | H23 | 137.0° | 178.3° |
| C33 | N39 | C38 | H24 | 104.7° | 58.3° |
| C33 | N39 | C40 | H25 | 44.4° | 57.3° |
| C33 | N39 | C40 | H26 | 164.4° | 62.6° |
| C33 | N39 | C40 | H27 | 75.6° | 177.3° |
| C35 | C33 | C32 | H16 | 116.6° | 120.0° |
| C35 | C33 | C32 | N31 | 98.3° | 86.7° |
| C33 | C35 | H17 | H18 | 116.9° | 120.1° |
| C33 | C35 | C36 | H19 | 71.6° | 177.5° |
| C33 | C35 | C36 | H20 | 168.8° | 62.2° |
| C51 | N43 | C42 | N41 | 0.7° | 0.3° |
| C51 | N43 | C42 | C30 | 178.7° | 179.8° |
| C51 | N43 | C30 | C19 | 118.2° | 84.7° |
| C51 | N43 | C30 | H14 | 120.6° | 35.3° |
| C51 | N43 | C30 | H15 | 3.1° | 155.3° |
| C51 | N43 | C42 | H28 | 179.3° | 180.0° |
| C33 | C32 | N31 | C20 | 0.0° | 175.3° |
| C32 | C33 | C35 | H17 | 102.4° | 59.2° |
| C32 | C33 | C35 | H18 | 15.6° | 60.9° |
| C33 | C32 | N31 | H29 | 180.0° | 4.7° |
| C32 | N31 | C20 | H29 | 180.0° | 180.0° |
| C32 | N31 | C20 | C19 | 131.1° | 139.5° |
| C32 | N31 | C20 | C21 | 115.2° | 105.9° |
| C32 | N31 | C20 | H6 | 6.5° | 16.8° |
| N31 | C32 | C33 | H16 | 18.3° | 33.3° |
| N41 | C42 | N43 | H28 | 180.0° | 179.7° |
| N41 | C42 | N43 | C30 | 179.4° | 179.9° |
| O23 | C06 | C01 | C02 | 179.5° | 167.9° |
| O23 | C06 | C01 | C07 | 1.8° | 11.9° |
| O23 | C06 | C05 | H12 | 86.8° | 103.2° |
| O23 | C06 | C05 | H13 | 31.5° | 17.7° |
| C06 | C01 | C02 | C07 | 177.7° | 179.7° |
| C06 | C01 | C02 | C10 | 179.2° | 178.5° |
| C06 | C01 | C07 | O24 | 1.9° | 0.8° |
| C06 | C01 | C07 | C08 | 178.3° | 179.6° |
| C01 | C06 | C05 | H12 | 98.2° | 76.8° |
| C01 | C06 | C05 | H13 | 143.5° | 162.2° |
| C01 | C02 | C10 | C09 | 1.7° | 0.0° |
| C02 | C01 | C07 | O24 | 179.5° | 179.4° |
| C02 | C01 | C07 | C08 | 0.8° | 0.2° |
| C01 | C02 | C10 | H1 | 178.4° | 179.7° |
| C01 | C02 | C03 | H9 | 77.8° | 96.8° |
| C10 | C02 | C01 | C07 | 1.5° | 1.2° |
| C02 | C10 | C09 | H1 | 180.0° | 179.7° |
| C02 | C10 | C09 | C08 | 1.3° | 2.1° |
| C02 | C10 | C09 | C14 | 179.6° | 177.3° |
| C10 | C02 | C03 | H9 | 99.7° | 83.0° |
| N31 | C20 | C19 | C30 | 16.6° | 0.2° |
| N31 | C20 | C19 | C21 | 118.4° | 118.6° |
| N31 | C20 | C19 | H6 | 125.2° | 122.8° |
| N31 | C20 | C21 | H6 | 122.5° | 122.7° |
| N31 | C20 | C19 | C17 | 95.3° | 118.5° |
| N31 | C20 | C19 | O29 | 145.7° | 122.9° |
| N31 | C20 | C21 | O22 | 126.4° | 142.7° |
| N31 | C20 | C21 | H7 | 6.7° | 23.8° |
| N31 | C20 | C21 | H8 | 114.0° | 98.5° |
| C42 | N43 | C30 | C19 | 63.4° | 95.6° |
| C42 | N43 | C30 | H14 | 57.8° | 144.4° |
| C42 | N43 | C30 | H15 | 175.4° | 24.4° |
| N43 | C30 | C19 | H14 | 121.2° | 120.0° |
| N43 | C30 | C19 | H15 | 121.2° | 120.0° |
| N43 | C30 | C19 | C20 | 43.9° | 133.9° |
| N43 | C30 | C19 | C17 | 154.8° | 111.4° |
| N43 | C30 | C19 | O29 | 82.5° | 11.2° |
| N43 | C30 | H14 | H15 | 116.1° | 120.0° |
| C30 | N43 | C42 | H28 | 0.6° | 0.2° |
| C01 | C07 | O24 | C08 | 179.7° | 179.6° |
| C01 | C07 | C08 | C09 | 0.4° | 1.9° |
| C01 | C07 | C08 | C11 | 178.9° | 178.1° |
| C01 | C07 | O24 | H34 | 1.0° | 90.0° |
| C10 | C09 | C08 | C07 | 0.7° | 3.1° |
| C10 | C09 | C08 | C14 | 179.0° | 179.4° |
| C10 | C09 | C14 | O18 | 0.6° | 4.2° |
| C10 | C09 | C08 | C11 | 178.5° | 176.9° |
| C10 | C09 | C14 | C13 | 179.4° | 178.6° |
| C30 | C19 | C20 | C17 | 111.9° | 118.7° |
| C30 | C19 | C20 | O29 | 129.1° | 122.6° |
| C30 | C19 | C20 | C21 | 135.0° | 118.8° |
| C30 | C19 | C17 | O18 | 42.3° | 27.6° |
| C30 | C19 | C17 | O29 | 122.2° | 122.6° |
| C30 | C19 | C17 | O22 | 168.8° | 143.0° |
| C30 | C19 | C17 | C16 | 102.1° | 100.9° |
| C30 | C19 | C20 | H6 | 108.6° | 122.5° |
| C19 | C30 | H14 | H15 | 116.1° | 120.0° |
| C30 | C19 | O29 | H36 | 180.0° | 57.4° |
| C19 | C20 | C21 | H6 | 116.5° | 118.7° |
| C20 | C19 | C17 | O18 | 81.5° | 91.2° |
| C20 | C19 | C17 | O29 | 114.0° | 118.6° |
| C19 | C20 | C21 | O22 | 5.4° | 24.0° |
| C20 | C19 | C17 | O22 | 45.0° | 24.2° |
| C20 | C19 | C17 | C16 | 134.0° | 140.3° |
| C19 | C20 | C21 | H7 | 114.3° | 94.8° |
| C19 | C20 | C21 | H8 | 125.0° | 142.9° |
| C20 | C19 | C30 | H14 | 165.1° | 13.9° |
| C20 | C19 | C30 | H15 | 77.3° | 106.1° |
| C19 | C20 | N31 | H29 | 49.0° | 40.5° |
| C20 | C19 | O29 | H36 | 47.2° | 65.3° |
| C21 | C20 | C19 | C17 | 23.0° | 0.1° |
| C21 | C20 | C19 | O29 | 95.9° | 118.5° |
| C20 | C21 | O22 | H7 | 119.7° | 118.8° |
| C20 | C21 | O22 | H8 | 119.6° | 118.8° |
| C20 | C21 | O22 | C17 | 34.2° | 40.8° |
| C20 | C21 | H7 | H8 | 121.1° | 122.3° |
| C21 | C20 | N31 | H29 | 64.8° | 74.1° |
| O24 | C07 | C08 | C09 | 179.9° | 178.4° |
| O24 | C07 | C08 | C11 | 0.9° | 1.6° |
| C07 | C08 | C09 | C11 | 179.2° | 180.0° |
| C07 | C08 | C09 | C14 | 179.7° | 176.3° |
| C07 | C08 | C11 | C12 | 179.7° | 178.3° |
| C07 | C08 | C11 | H2 | 0.3° | 2.6° |
| C08 | C07 | O24 | H34 | 179.3° | 90.3° |
| C08 | C09 | C14 | O18 | 179.8° | 176.3° |
| C08 | C09 | C14 | C13 | 0.3° | 0.8° |
| C09 | C08 | C11 | C12 | 1.1° | 1.6° |
| C08 | C09 | C10 | H1 | 178.7° | 178.2° |
| C09 | C08 | C11 | H2 | 178.9° | 177.4° |
| C09 | C14 | O18 | C13 | 180.0° | 177.3° |
| C09 | C14 | O18 | C17 | 174.7° | 135.8° |
| C14 | C09 | C08 | C11 | 0.5° | 3.6° |
| C09 | C14 | C13 | C12 | 0.4° | 7.7° |
| C09 | C14 | C13 | C15 | 179.3° | 176.7° |
| C14 | C09 | C10 | H1 | 0.3° | 2.4° |
| C14 | O18 | C17 | C19 | 157.0° | 77.9° |
| C14 | O18 | C17 | O22 | 81.5° | 169.2° |
| C14 | O18 | C17 | C16 | 16.1° | 45.6° |
| O18 | C14 | C13 | C12 | 179.6° | 169.9° |
| O18 | C14 | C13 | C15 | 0.7° | 5.7° |
| O18 | C17 | C19 | O22 | 126.5° | 115.4° |
| O18 | C17 | C19 | C16 | 144.4° | 128.5° |
| O18 | C17 | C19 | O29 | 164.5° | 150.1° |
| O18 | C17 | O22 | C21 | 82.2° | 74.6° |
| C17 | O18 | C14 | C13 | 5.3° | 41.5° |
| O18 | C17 | O22 | C16 | 119.8° | 128.5° |
| O18 | C17 | C16 | C15 | 43.3° | 1.0° |
| O18 | C17 | C16 | H4 | 164.1° | 121.8° |
| O18 | C17 | C16 | H5 | 77.5° | 120.1° |
| C19 | C17 | O22 | C21 | 49.4° | 40.8° |
| C19 | C17 | O22 | C16 | 108.6° | 116.1° |
| C19 | C17 | C16 | C15 | 171.5° | 122.3° |
| C19 | C17 | C16 | H4 | 50.7° | 1.5° |
| C19 | C17 | C16 | H5 | 67.7° | 116.5° |
| C17 | C19 | C20 | H6 | 139.5° | 118.8° |
| C17 | C19 | C30 | H14 | 84.0° | 128.6° |
| C17 | C19 | C30 | H15 | 33.5° | 8.6° |
| C17 | C19 | O29 | H36 | 63.3° | 180.0° |
| O29 | C19 | C17 | O22 | 69.0° | 94.4° |
| O29 | C19 | C17 | C16 | 20.1° | 21.7° |
| O29 | C19 | C20 | H6 | 20.5° | 0.1° |
| O29 | C19 | C30 | H14 | 38.8° | 108.8° |
| O29 | C19 | C30 | H15 | 156.3° | 131.2° |
| C21 | O22 | C17 | C16 | 158.0° | 156.9° |
| O22 | C21 | C20 | H6 | 111.2° | 94.6° |
| O22 | C21 | H7 | H8 | 121.0° | 122.4° |
| C08 | C11 | C12 | H2 | 180.0° | 179.0° |
| C08 | C11 | C12 | C13 | 1.0° | 4.6° |
| C08 | C11 | C12 | C26 | 175.8° | 173.6° |
| C14 | C13 | C12 | C11 | 0.2° | 9.7° |
| C14 | C13 | C12 | C15 | 179.7° | 176.3° |
| C14 | C13 | C15 | C16 | 25.9° | 44.6° |
| C14 | C13 | C12 | C26 | 176.5° | 169.0° |
| C14 | C13 | C15 | O27 | 161.2° | 164.6° |
| C14 | C13 | C15 | H3 | 86.8° | 76.0° |
| O22 | C17 | C16 | C15 | 70.3° | 124.4° |
| O22 | C17 | C16 | H4 | 50.5° | 114.8° |
| O22 | C17 | C16 | H5 | 168.9° | 3.2° |
| C17 | O22 | C21 | H7 | 85.4° | 78.0° |
| C17 | O22 | C21 | H8 | 153.8° | 159.6° |
| C17 | C16 | C15 | C13 | 44.5° | 36.2° |
| C17 | C16 | C15 | H4 | 120.8° | 120.5° |
| C17 | C16 | C15 | H5 | 120.8° | 121.2° |
| C17 | C16 | C15 | O27 | 165.9° | 149.1° |
| C17 | C16 | C15 | H3 | 69.1° | 84.1° |
| C17 | C16 | H4 | H5 | 117.5° | 118.0° |
| C11 | C12 | C13 | C26 | 176.3° | 178.7° |
| C11 | C12 | C13 | C15 | 179.9° | 174.0° |
| C11 | C12 | C26 | O27 | 162.5° | 178.3° |
| C11 | C12 | C26 | O28 | 9.5° | 1.7° |
| C12 | C13 | C15 | C16 | 154.4° | 131.6° |
| C12 | C13 | C15 | O27 | 19.1° | 11.6° |
| C13 | C12 | C26 | O27 | 13.0° | 0.1° |
| C13 | C12 | C26 | O28 | 175.0° | 180.0° |
| C13 | C12 | C11 | H2 | 179.0° | 176.3° |
| C12 | C13 | C15 | H3 | 92.9° | 107.8° |
| C13 | C15 | C16 | O27 | 121.4° | 112.9° |
| C13 | C15 | C16 | H3 | 113.6° | 120.3° |
| C15 | C13 | C12 | C26 | 3.8° | 7.2° |
| C13 | C15 | O27 | H3 | 112.1° | 119.5° |
| C13 | C15 | O27 | C26 | 27.0° | 11.6° |
| C13 | C15 | C16 | H4 | 165.3° | 84.3° |
| C13 | C15 | C16 | H5 | 76.3° | 157.4° |
| C16 | C15 | O27 | H3 | 124.5° | 127.0° |
| C16 | C15 | O27 | C26 | 150.4° | 125.1° |
| C15 | C16 | H4 | H5 | 117.5° | 118.3° |
| C12 | C26 | O27 | C15 | 25.5° | 7.7° |
| C12 | C26 | O27 | O28 | 172.0° | 179.9° |
| C26 | C12 | C11 | H2 | 4.2° | 5.5° |
| C15 | O27 | C26 | O28 | 162.5° | 172.3° |
| O27 | C15 | C16 | H4 | 73.3° | 28.7° |
| O27 | C15 | C16 | H5 | 45.1° | 89.7° |
| C26 | O27 | C15 | H3 | 85.1° | 107.9° |
| H3 | C15 | C16 | H4 | 51.7° | 155.4° |
| H3 | C15 | C16 | H5 | 170.1° | 37.1° |
| H6 | C20 | C21 | H7 | 129.2° | 146.6° |
| H6 | C20 | C21 | H8 | 8.5° | 24.2° |
| H6 | C20 | N31 | H29 | 173.5° | 163.2° |
| H9 | C03 | C04 | H10 | 170.8° | 54.6° |
| H9 | C03 | C04 | H11 | 68.8° | 174.6° |
| H9 | C03 | O25 | H35 | 62.0° | 60.8° |
| H10 | C04 | C05 | H12 | 175.6° | 64.6° |
| H10 | C04 | C05 | H13 | 57.3° | 56.4° |
| H11 | C04 | C05 | H12 | 55.3° | 175.3° |
| H11 | C04 | C05 | H13 | 63.0° | 63.6° |
| H16 | C33 | C35 | H17 | 14.2° | 179.2° |
| H16 | C33 | C35 | H18 | 132.2° | 59.2° |
| H17 | C35 | C36 | H19 | 49.4° | 57.5° |
| H17 | C35 | C36 | H20 | 70.2° | 177.8° |
| H18 | C35 | C36 | H19 | 167.4° | 62.5° |
| H18 | C35 | C36 | H20 | 47.8° | 57.7° |
| H19 | C36 | C37 | H21 | 64.0° | 57.6° |
| H19 | C36 | C37 | H22 | 176.1° | 62.5° |
| H20 | C36 | C37 | H21 | 55.6° | 177.7° |
| H20 | C36 | C37 | H22 | 64.4° | 57.7° |
| H21 | C37 | C38 | H23 | 70.8° | 59.2° |
| H21 | C37 | C38 | H24 | 47.5° | 179.2° |
| H22 | C37 | C38 | H23 | 49.2° | 60.9° |
| H22 | C37 | C38 | H24 | 167.4° | 59.1° |
| H25 | C40 | H26 | H27 | 120.0° | 120.0° |
