A1C60
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C47 | N46 | sing | 1.47Å | 1.48Å | |
| C44 | C45 | sing | 1.54Å | 1.52Å | |
| C44 | C43 | sing | 1.55Å | 1.52Å | |
| C45 | N46 | sing | 1.48Å | 1.52Å | |
| N46 | C41 | sing | 1.48Å | 1.53Å | |
| C43 | C41 | sing | 1.55Å | 1.53Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | O39 | sing | 1.43Å | 1.41Å | |
| O39 | C17 | sing | 1.35Å | 1.38Å | |
| C17 | N18 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | N16 | sing | 1.33Å | 1.35Å | Aromatic |
| N18 | C19 | sing | 1.34Å | 1.34Å | Aromatic |
| N16 | C15 | doub | 1.33Å | 1.35Å | Aromatic |
| F21 | C20 | sing | 1.35Å | 1.35Å | |
| C14 | C12 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C27 | sing | 1.42Å | 1.40Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C27 | sing | 1.42Å | 1.40Å | Aromatic |
| C15 | N10 | sing | 1.38Å | 1.41Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| C12 | N5 | sing | 1.47Å | 1.48Å | |
| C27 | C26 | doub | 1.40Å | 1.41Å | Aromatic |
| N10 | C7 | sing | 1.47Å | 1.48Å | |
| C22 | C28 | sing | 1.48Å | 1.46Å | |
| C22 | C23 | doub | 1.42Å | 1.39Å | Aromatic |
| C34 | N33 | sing | 1.46Å | 1.45Å | |
| C38 | C37 | sing | 1.51Å | 1.48Å | |
| C28 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C6 | sing | 1.47Å | 1.47Å | |
| N5 | C3 | sing | 1.35Å | 1.37Å | |
| C37 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| N33 | C29 | sing | 1.37Å | 1.37Å | Aromatic |
| N33 | N32 | sing | 1.40Å | 1.34Å | Aromatic |
| C29 | C30 | doub | 1.41Å | 1.39Å | Aromatic |
| C26 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| N32 | C31 | doub | 1.30Å | 1.33Å | Aromatic |
| C36 | C35 | doub | 1.37Å | 1.40Å | Aromatic |
| C7 | C9 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | sing | 1.46Å | 1.41Å | Aromatic |
| C30 | C35 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.43Å | 1.42Å | |
| C3 | O4 | doub | 1.21Å | 1.22Å | |
| C24 | N25 | trip | 1.14Å | 1.16Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.08Å | 1.08Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| C36 | H18 | sing | 1.08Å | 1.08Å | |
| C38 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C40 | H22 | sing | 1.09Å | 1.10Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C44 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C45 | H29 | sing | 1.09Å | 1.10Å | |
| C45 | H30 | sing | 1.09Å | 1.10Å | |
| C47 | H31 | sing | 1.09Å | 1.10Å | |
| C47 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C47 | N46 | C45 | 112.2° | 111.0° |
| C47 | N46 | C41 | 112.3° | 111.2° |
| N46 | C47 | H31 | 109.5° | 109.5° |
| N46 | C47 | H32 | 109.5° | 109.4° |
| N46 | C47 | H33 | 109.5° | 109.5° |
| C45 | C44 | C43 | 103.4° | 103.0° |
| C44 | C45 | N46 | 103.6° | 107.3° |
| C45 | C44 | H27 | 111.0° | 110.7° |
| C45 | C44 | H28 | 111.0° | 110.7° |
| C44 | C45 | H29 | 110.9° | 109.9° |
| C44 | C45 | H30 | 110.9° | 109.9° |
| C44 | C43 | C41 | 105.5° | 101.7° |
| C44 | C43 | H25 | 110.5° | 111.0° |
| C44 | C43 | H26 | 110.5° | 111.0° |
| C43 | C44 | H27 | 111.0° | 110.6° |
| C43 | C44 | H28 | 111.0° | 110.8° |
| C45 | N46 | C41 | 107.8° | 108.5° |
| N46 | C45 | H29 | 110.9° | 109.9° |
| N46 | C45 | H30 | 110.9° | 109.7° |
| N46 | C41 | C43 | 104.7° | 104.9° |
| N46 | C41 | C40 | 106.8° | 110.4° |
| N46 | C41 | H24 | 111.8° | 110.4° |
| C43 | C41 | C40 | 109.4° | 110.4° |
| C43 | C41 | H24 | 111.8° | 110.4° |
| C41 | C43 | H25 | 110.5° | 111.0° |
| C41 | C43 | H26 | 110.5° | 111.0° |
| C41 | C40 | O39 | 104.4° | 109.5° |
| C41 | C40 | H22 | 110.7° | 109.5° |
| C41 | C40 | H23 | 110.7° | 109.5° |
| C40 | C41 | H24 | 112.0° | 110.3° |
| C40 | O39 | C17 | 110.1° | 117.0° |
| O39 | C40 | H22 | 110.7° | 109.5° |
| O39 | C40 | H23 | 110.7° | 109.5° |
| O39 | C17 | N18 | 112.6° | 118.6° |
| O39 | C17 | N16 | 120.6° | 118.6° |
| N18 | C17 | N16 | 126.8° | 122.9° |
| C17 | N18 | C19 | 117.4° | 120.5° |
| C17 | N16 | C15 | 114.3° | 121.4° |
| N18 | C19 | C20 | 119.9° | 121.5° |
| N18 | C19 | C27 | 121.4° | 118.7° |
| N16 | C15 | C27 | 124.2° | 118.3° |
| N16 | C15 | N10 | 116.3° | 120.8° |
| F21 | C20 | C19 | 119.3° | 120.2° |
| F21 | C20 | C22 | 118.3° | 120.2° |
| C14 | C12 | C11 | 109.5° | 109.6° |
| C14 | C12 | N5 | 109.3° | 109.6° |
| C14 | C12 | H6 | 108.7° | 109.8° |
| C12 | C14 | H7 | 109.5° | 109.5° |
| C12 | C14 | H8 | 109.4° | 109.5° |
| C12 | C14 | H9 | 109.5° | 109.4° |
| C20 | C19 | C27 | 118.7° | 119.8° |
| C19 | C20 | C22 | 122.3° | 119.7° |
| C19 | C27 | C15 | 115.8° | 118.2° |
| C19 | C27 | C26 | 119.7° | 120.1° |
| C20 | C22 | C28 | 118.7° | 119.8° |
| C20 | C22 | C23 | 118.7° | 120.4° |
| C27 | C15 | N10 | 119.5° | 120.8° |
| C15 | C27 | C26 | 124.5° | 121.7° |
| C15 | N10 | C11 | 120.9° | 111.0° |
| C15 | N10 | C7 | 118.7° | 111.0° |
| C12 | C11 | N10 | 112.7° | 109.4° |
| C11 | C12 | N5 | 111.8° | 108.5° |
| C12 | C11 | H4 | 108.7° | 109.5° |
| C12 | C11 | H5 | 108.6° | 109.5° |
| C11 | C12 | H6 | 108.3° | 109.6° |
| C11 | N10 | C7 | 116.8° | 111.3° |
| N10 | C11 | H4 | 108.6° | 109.5° |
| N10 | C11 | H5 | 108.7° | 109.5° |
| C12 | N5 | C6 | 115.0° | 118.2° |
| C12 | N5 | C3 | 123.6° | 120.9° |
| N5 | C12 | H6 | 109.2° | 109.7° |
| C27 | C26 | C23 | 120.2° | 119.7° |
| C27 | C26 | H12 | 119.9° | 120.1° |
| N10 | C7 | C6 | 109.2° | 109.3° |
| N10 | C7 | C9 | 110.4° | 109.5° |
| N10 | C7 | H36 | 109.9° | 109.5° |
| C28 | C22 | C23 | 122.6° | 119.8° |
| C22 | C28 | C37 | 121.4° | 120.3° |
| C22 | C28 | C29 | 122.1° | 120.3° |
| C22 | C23 | C26 | 120.4° | 120.3° |
| C22 | C23 | C24 | 119.1° | 119.9° |
| C34 | N33 | C29 | 126.4° | 125.4° |
| C34 | N33 | N32 | 118.7° | 125.5° |
| N33 | C34 | H14 | 109.5° | 109.5° |
| N33 | C34 | H15 | 109.4° | 109.4° |
| N33 | C34 | H16 | 109.4° | 109.5° |
| C38 | C37 | C28 | 119.6° | 119.7° |
| C38 | C37 | C36 | 119.1° | 119.8° |
| C37 | C38 | H19 | 109.5° | 109.4° |
| C37 | C38 | H20 | 109.5° | 109.5° |
| C37 | C38 | H21 | 109.5° | 109.4° |
| C37 | C28 | C29 | 116.5° | 119.4° |
| C28 | C37 | C36 | 121.3° | 120.5° |
| C28 | C29 | N33 | 132.7° | 133.8° |
| C28 | C29 | C30 | 123.2° | 119.4° |
| C6 | N5 | C3 | 120.2° | 120.9° |
| N5 | C6 | C7 | 110.2° | 108.6° |
| N5 | C6 | H34 | 109.3° | 109.6° |
| N5 | C6 | H35 | 109.3° | 109.8° |
| N5 | C3 | C2 | 113.4° | 120.0° |
| N5 | C3 | O4 | 124.9° | 120.0° |
| C37 | C36 | C35 | 121.5° | 120.8° |
| C37 | C36 | H18 | 119.3° | 119.5° |
| C29 | N33 | N32 | 114.9° | 109.1° |
| N33 | C29 | C30 | 104.1° | 106.8° |
| N33 | N32 | C31 | 103.2° | 110.0° |
| C29 | C30 | C31 | 105.2° | 106.3° |
| C29 | C30 | C35 | 119.6° | 119.8° |
| C26 | C23 | C24 | 120.5° | 119.8° |
| C23 | C26 | H12 | 119.9° | 120.2° |
| C3 | C2 | C1 | 108.2° | 109.5° |
| C2 | C3 | O4 | 121.7° | 120.0° |
| C3 | C2 | H10 | 109.8° | 109.5° |
| C3 | C2 | H11 | 109.8° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H10 | 109.8° | 109.5° |
| C1 | C2 | H11 | 109.8° | 109.4° |
| C6 | C7 | C9 | 108.9° | 109.5° |
| C7 | C6 | H34 | 109.3° | 109.6° |
| C7 | C6 | H35 | 109.3° | 109.6° |
| C6 | C7 | H36 | 109.0° | 109.4° |
| N32 | C31 | C30 | 112.5° | 107.8° |
| N32 | C31 | H13 | 123.7° | 126.1° |
| C36 | C35 | C30 | 118.0° | 120.0° |
| C36 | C35 | H17 | 121.0° | 120.0° |
| C35 | C36 | H18 | 119.2° | 119.7° |
| C9 | C7 | H36 | 109.4° | 109.5° |
| C7 | C9 | H37 | 109.5° | 109.5° |
| C7 | C9 | H38 | 109.4° | 109.4° |
| C7 | C9 | H39 | 109.4° | 109.5° |
| C31 | C30 | C35 | 135.2° | 133.9° |
| C30 | C31 | H13 | 123.8° | 126.2° |
| C30 | C35 | H17 | 121.0° | 120.0° |
| C23 | C24 | N25 | 178.1° | 180.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.4° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.4° |
| H10 | C2 | H11 | 109.5° | 109.4° |
| H14 | C34 | H15 | 109.5° | 109.5° |
| H14 | C34 | H16 | 109.5° | 109.5° |
| H15 | C34 | H16 | 109.5° | 109.5° |
| H19 | C38 | H20 | 109.5° | 109.5° |
| H19 | C38 | H21 | 109.4° | 109.5° |
| H20 | C38 | H21 | 109.5° | 109.5° |
| H22 | C40 | H23 | 109.5° | 109.4° |
| H25 | C43 | H26 | 109.5° | 110.9° |
| H27 | C44 | H28 | 109.4° | 110.8° |
| H29 | C45 | H30 | 109.5° | 110.0° |
| H31 | C47 | H32 | 109.5° | 109.5° |
| H31 | C47 | H33 | 109.5° | 109.5° |
| H32 | C47 | H33 | 109.5° | 109.5° |
| H34 | C6 | H35 | 109.5° | 109.6° |
| H37 | C9 | H38 | 109.4° | 109.4° |
| H37 | C9 | H39 | 109.5° | 109.5° |
| H38 | C9 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C47 | N46 | C45 | C44 | 99.0° | 123.3° |
| C47 | N46 | C45 | C41 | 124.2° | 122.5° |
| C47 | N46 | C41 | C43 | 121.4° | 146.3° |
| C47 | N46 | C41 | C40 | 122.7° | 94.8° |
| C47 | N46 | C41 | H24 | 0.1° | 27.4° |
| C47 | N46 | C45 | H29 | 142.0° | 117.3° |
| C47 | N46 | C45 | H30 | 20.1° | 3.9° |
| N46 | C47 | H31 | H32 | 120.0° | 120.0° |
| N46 | C47 | H31 | H33 | 120.0° | 120.0° |
| N46 | C47 | H32 | H33 | 120.0° | 120.0° |
| C45 | C44 | C43 | H27 | 119.1° | 118.3° |
| C45 | C44 | C43 | H28 | 119.1° | 118.4° |
| C44 | C45 | N46 | H29 | 119.1° | 119.5° |
| C44 | C45 | N46 | H30 | 119.1° | 119.4° |
| C44 | C45 | N46 | C41 | 25.2° | 0.8° |
| C45 | C44 | C43 | C41 | 36.7° | 35.7° |
| C45 | C44 | C43 | H25 | 156.0° | 82.4° |
| C45 | C44 | C43 | H26 | 82.7° | 153.8° |
| C45 | C44 | H27 | H28 | 122.8° | 123.2° |
| C44 | C45 | H29 | H30 | 122.7° | 121.2° |
| C43 | C44 | C45 | N46 | 37.7° | 22.4° |
| C44 | C43 | C41 | N46 | 20.9° | 37.0° |
| C44 | C43 | C41 | H25 | 119.4° | 118.1° |
| C44 | C43 | C41 | H26 | 119.4° | 118.1° |
| C44 | C43 | C41 | C40 | 135.0° | 155.9° |
| C44 | C43 | C41 | H24 | 100.4° | 81.9° |
| C44 | C43 | H25 | H26 | 121.9° | 123.9° |
| C43 | C44 | H27 | H28 | 122.8° | 123.2° |
| C43 | C44 | C45 | H29 | 81.3° | 97.1° |
| C43 | C44 | C45 | H30 | 156.8° | 141.6° |
| C45 | N46 | C41 | C43 | 2.7° | 23.9° |
| C45 | N46 | C41 | C40 | 113.2° | 142.8° |
| C45 | N46 | C41 | H24 | 124.0° | 95.0° |
| N46 | C45 | C44 | H27 | 81.3° | 140.7° |
| N46 | C45 | C44 | H28 | 156.8° | 96.1° |
| N46 | C45 | H29 | H30 | 122.7° | 121.0° |
| C45 | N46 | C47 | H31 | 180.0° | 60.1° |
| C45 | N46 | C47 | H32 | 60.0° | 179.9° |
| C45 | N46 | C47 | H33 | 60.0° | 59.9° |
| N46 | C41 | C43 | C40 | 114.1° | 118.9° |
| N46 | C41 | C43 | H24 | 121.3° | 118.9° |
| N46 | C41 | C40 | H24 | 122.7° | 122.3° |
| N46 | C41 | C40 | O39 | 56.3° | 67.9° |
| N46 | C41 | C40 | H22 | 62.9° | 172.0° |
| N46 | C41 | C40 | H23 | 175.5° | 52.1° |
| N46 | C41 | C43 | H25 | 140.2° | 81.1° |
| N46 | C41 | C43 | H26 | 98.5° | 155.1° |
| C41 | N46 | C45 | H29 | 93.9° | 120.3° |
| C41 | N46 | C45 | H30 | 144.2° | 118.6° |
| C41 | N46 | C47 | H31 | 58.4° | 60.7° |
| C41 | N46 | C47 | H32 | 178.4° | 59.3° |
| C41 | N46 | C47 | H33 | 61.6° | 179.3° |
| C43 | C41 | C40 | H24 | 124.5° | 122.2° |
| C43 | C41 | C40 | O39 | 56.5° | 176.6° |
| C43 | C41 | C40 | H22 | 175.7° | 56.5° |
| C43 | C41 | C40 | H23 | 62.7° | 63.4° |
| C41 | C43 | H25 | H26 | 121.9° | 123.8° |
| C41 | C43 | C44 | H27 | 82.4° | 154.0° |
| C41 | C43 | C44 | H28 | 155.7° | 82.8° |
| C41 | C40 | O39 | H22 | 119.2° | 120.0° |
| C41 | C40 | O39 | H23 | 119.2° | 120.0° |
| C41 | C40 | O39 | C17 | 168.3° | 180.0° |
| C41 | C40 | H22 | H23 | 122.3° | 120.0° |
| C40 | C41 | C43 | H25 | 105.7° | 37.8° |
| C40 | C41 | C43 | H26 | 15.6° | 85.9° |
| C40 | O39 | C17 | N18 | 168.2° | 0.1° |
| C40 | O39 | C17 | N16 | 12.0° | 179.7° |
| O39 | C40 | H22 | H23 | 122.3° | 120.0° |
| O39 | C40 | C41 | H24 | 179.0° | 54.3° |
| O39 | C17 | N18 | N16 | 179.8° | 179.7° |
| O39 | C17 | N18 | C19 | 179.9° | 180.0° |
| O39 | C17 | N16 | C15 | 179.8° | 179.7° |
| C17 | O39 | C40 | H22 | 72.5° | 59.9° |
| C17 | O39 | C40 | H23 | 49.1° | 60.0° |
| N18 | C17 | N16 | C15 | 0.1° | 0.1° |
| C17 | N18 | C19 | C20 | 179.9° | 180.0° |
| C17 | N18 | C19 | C27 | 0.2° | 0.5° |
| N16 | C17 | N18 | C19 | 0.2° | 0.3° |
| C17 | N16 | C15 | C27 | 0.0° | 0.0° |
| C17 | N16 | C15 | N10 | 179.3° | 179.7° |
| N18 | C19 | C20 | F21 | 0.5° | 0.6° |
| N18 | C19 | C20 | C27 | 179.7° | 179.4° |
| N18 | C19 | C20 | C22 | 179.5° | 179.5° |
| N18 | C19 | C27 | C15 | 0.1° | 0.5° |
| N18 | C19 | C27 | C26 | 179.8° | 179.5° |
| N16 | C15 | C27 | C19 | 0.0° | 0.3° |
| N16 | C15 | C27 | N10 | 179.3° | 179.7° |
| N16 | C15 | N10 | C11 | 27.1° | 61.5° |
| N16 | C15 | C27 | C26 | 179.9° | 179.7° |
| N16 | C15 | N10 | C7 | 130.5° | 62.9° |
| F21 | C20 | C19 | C22 | 179.9° | 179.9° |
| F21 | C20 | C19 | C27 | 179.8° | 179.9° |
| F21 | C20 | C22 | C28 | 0.6° | 0.1° |
| F21 | C20 | C22 | C23 | 179.7° | 179.9° |
| C14 | C12 | C11 | N5 | 121.2° | 119.7° |
| C14 | C12 | C11 | H6 | 118.4° | 120.6° |
| C14 | C12 | C11 | N10 | 78.0° | 173.5° |
| C14 | C12 | N5 | H6 | 118.8° | 120.6° |
| C14 | C12 | N5 | C6 | 70.9° | 170.9° |
| C14 | C12 | N5 | C3 | 96.6° | 9.1° |
| C14 | C12 | C11 | H4 | 42.5° | 53.5° |
| C14 | C12 | C11 | H5 | 161.5° | 66.5° |
| C12 | C14 | H7 | H8 | 120.0° | 120.0° |
| C12 | C14 | H7 | H9 | 120.0° | 120.0° |
| C12 | C14 | H8 | H9 | 120.0° | 120.0° |
| C20 | C19 | C27 | C15 | 179.9° | 180.0° |
| C20 | C19 | C27 | C26 | 0.0° | 0.0° |
| C19 | C20 | C22 | C28 | 179.4° | 180.0° |
| C19 | C20 | C22 | C23 | 0.3° | 0.0° |
| C27 | C19 | C20 | C22 | 0.3° | 0.0° |
| C19 | C27 | C15 | C26 | 179.9° | 180.0° |
| C19 | C27 | C15 | N10 | 179.3° | 180.0° |
| C19 | C27 | C26 | C23 | 0.3° | 0.0° |
| C19 | C27 | C26 | H12 | 179.7° | 180.0° |
| C20 | C22 | C28 | C23 | 179.7° | 180.0° |
| C20 | C22 | C28 | C37 | 79.7° | 90.0° |
| C20 | C22 | C28 | C29 | 101.0° | 89.7° |
| C20 | C22 | C23 | C26 | 0.0° | 0.0° |
| C20 | C22 | C23 | C24 | 179.9° | 180.0° |
| C27 | C15 | N10 | C11 | 153.6° | 118.2° |
| C27 | C15 | N10 | C7 | 48.8° | 117.4° |
| C15 | C27 | C26 | C23 | 179.6° | 180.0° |
| C15 | C27 | C26 | H12 | 0.4° | 0.0° |
| C15 | N10 | C11 | C12 | 110.9° | 172.8° |
| C15 | N10 | C11 | C7 | 158.0° | 124.2° |
| N10 | C15 | C27 | C26 | 0.8° | 0.0° |
| C15 | N10 | C7 | C6 | 105.8° | 172.8° |
| C15 | N10 | C7 | C9 | 134.5° | 52.8° |
| C15 | N10 | C11 | H4 | 9.6° | 67.3° |
| C15 | N10 | C11 | H5 | 128.7° | 52.8° |
| C15 | N10 | C7 | H36 | 13.7° | 67.3° |
| C12 | C11 | N10 | H4 | 120.5° | 120.0° |
| C12 | C11 | N10 | H5 | 120.5° | 120.0° |
| C11 | C12 | N5 | H6 | 119.8° | 119.7° |
| C12 | C11 | N10 | C7 | 47.1° | 63.1° |
| C11 | C12 | N5 | C6 | 50.5° | 51.2° |
| C11 | C12 | N5 | C3 | 141.9° | 128.8° |
| C12 | C11 | H4 | H5 | 118.5° | 120.0° |
| C11 | C12 | C14 | H7 | 180.0° | 65.1° |
| C11 | C12 | C14 | H8 | 60.0° | 174.9° |
| C11 | C12 | C14 | H9 | 60.0° | 55.0° |
| N10 | C11 | C12 | N5 | 43.3° | 53.8° |
| C11 | N10 | C7 | C6 | 52.7° | 63.0° |
| C11 | N10 | C7 | C9 | 67.0° | 177.0° |
| N10 | C11 | H4 | H5 | 118.5° | 120.1° |
| N10 | C11 | C12 | H6 | 163.6° | 65.9° |
| C11 | N10 | C7 | H36 | 172.2° | 56.9° |
| C12 | N5 | C6 | C3 | 168.0° | 179.9° |
| C12 | N5 | C3 | C2 | 18.2° | 175.4° |
| C12 | N5 | C6 | C7 | 57.1° | 51.2° |
| C12 | N5 | C3 | O4 | 163.0° | 4.5° |
| N5 | C12 | C11 | H4 | 163.7° | 66.2° |
| N5 | C12 | C11 | H5 | 77.2° | 173.8° |
| N5 | C12 | C14 | H7 | 57.2° | 53.9° |
| N5 | C12 | C14 | H8 | 177.2° | 66.1° |
| N5 | C12 | C14 | H9 | 62.7° | 174.0° |
| C12 | N5 | C6 | H34 | 177.2° | 170.9° |
| C12 | N5 | C6 | H35 | 63.1° | 68.6° |
| C27 | C26 | C23 | C22 | 0.3° | 0.0° |
| C27 | C26 | C23 | H12 | 180.0° | 180.0° |
| C27 | C26 | C23 | C24 | 179.8° | 180.0° |
| N10 | C7 | C6 | N5 | 55.3° | 53.8° |
| N10 | C7 | C6 | C9 | 120.6° | 120.0° |
| N10 | C7 | C6 | H36 | 120.1° | 120.0° |
| N10 | C7 | C9 | H36 | 121.0° | 120.1° |
| C7 | N10 | C11 | H4 | 167.6° | 56.9° |
| C7 | N10 | C11 | H5 | 73.4° | 177.0° |
| N10 | C7 | C6 | H34 | 175.4° | 173.5° |
| N10 | C7 | C6 | H35 | 64.8° | 66.1° |
| N10 | C7 | C9 | H37 | 180.0° | 172.9° |
| N10 | C7 | C9 | H38 | 60.0° | 67.2° |
| N10 | C7 | C9 | H39 | 60.0° | 52.9° |
| C22 | C28 | C37 | C38 | 0.8° | 0.0° |
| C22 | C28 | C37 | C29 | 179.3° | 179.7° |
| C22 | C28 | C37 | C36 | 179.5° | 179.8° |
| C22 | C28 | C29 | N33 | 0.8° | 0.0° |
| C22 | C28 | C29 | C30 | 179.3° | 179.9° |
| C28 | C22 | C23 | C26 | 179.6° | 180.0° |
| C28 | C22 | C23 | C24 | 0.5° | 0.1° |
| C23 | C22 | C28 | C37 | 100.6° | 90.1° |
| C23 | C22 | C28 | C29 | 78.7° | 90.2° |
| C22 | C23 | C26 | C24 | 179.9° | 179.9° |
| C22 | C23 | C24 | N25 | 73.1° | 5.7° |
| C22 | C23 | C26 | H12 | 179.7° | 180.0° |
| C34 | N33 | C29 | C28 | 0.1° | 0.0° |
| C34 | N33 | C29 | N32 | 179.7° | 179.9° |
| C34 | N33 | C29 | C30 | 179.8° | 180.0° |
| C34 | N33 | N32 | C31 | 180.0° | 179.9° |
| N33 | C34 | H14 | H15 | 120.0° | 120.0° |
| N33 | C34 | H14 | H16 | 120.0° | 120.0° |
| N33 | C34 | H15 | H16 | 120.0° | 120.0° |
| C38 | C37 | C28 | C36 | 179.7° | 179.8° |
| C38 | C37 | C28 | C29 | 179.9° | 179.7° |
| C38 | C37 | C36 | C35 | 179.7° | 179.7° |
| C38 | C37 | C36 | H18 | 0.3° | 0.1° |
| C37 | C38 | H19 | H20 | 120.0° | 120.0° |
| C37 | C38 | H19 | H21 | 120.0° | 119.9° |
| C37 | C38 | H20 | H21 | 120.0° | 120.0° |
| C37 | C28 | C29 | N33 | 179.9° | 179.7° |
| C37 | C28 | C29 | C30 | 0.0° | 0.2° |
| C28 | C37 | C36 | C35 | 0.0° | 0.5° |
| C28 | C37 | C36 | H18 | 180.0° | 179.7° |
| C28 | C37 | C38 | H19 | 89.8° | 90.0° |
| C28 | C37 | C38 | H20 | 150.2° | 150.0° |
| C28 | C37 | C38 | H21 | 30.1° | 30.0° |
| C29 | C28 | C37 | C36 | 0.2° | 0.5° |
| C28 | C29 | N33 | C30 | 179.9° | 180.0° |
| C28 | C29 | N33 | N32 | 179.8° | 180.0° |
| C28 | C29 | C30 | C31 | 179.9° | 179.9° |
| C28 | C29 | C30 | C35 | 0.4° | 0.0° |
| C6 | N5 | C3 | C2 | 174.9° | 4.7° |
| N5 | C6 | C7 | H34 | 120.1° | 119.7° |
| N5 | C6 | C7 | H35 | 120.1° | 119.9° |
| N5 | C6 | C7 | C9 | 65.4° | 173.8° |
| C6 | N5 | C3 | O4 | 4.0° | 175.4° |
| C6 | N5 | C12 | H6 | 170.3° | 68.5° |
| N5 | C6 | H34 | H35 | 119.6° | 120.6° |
| N5 | C6 | C7 | H36 | 175.3° | 66.2° |
| N5 | C3 | C2 | O4 | 178.9° | 179.9° |
| N5 | C3 | C2 | C1 | 159.2° | 180.0° |
| C3 | N5 | C6 | C7 | 134.9° | 128.8° |
| C3 | N5 | C12 | H6 | 22.1° | 111.6° |
| N5 | C3 | C2 | H10 | 81.1° | 59.9° |
| N5 | C3 | C2 | H11 | 39.4° | 60.1° |
| C3 | N5 | C6 | H34 | 14.8° | 9.0° |
| C3 | N5 | C6 | H35 | 105.0° | 111.4° |
| C37 | C36 | C35 | H18 | 180.0° | 179.8° |
| C37 | C36 | C35 | C30 | 0.4° | 0.2° |
| C37 | C36 | C35 | H17 | 179.6° | 179.8° |
| C36 | C37 | C38 | H19 | 89.9° | 89.8° |
| C36 | C37 | C38 | H20 | 30.2° | 30.2° |
| C36 | C37 | C38 | H21 | 150.2° | 150.2° |
| C29 | N33 | N32 | C31 | 0.3° | 0.0° |
| N33 | C29 | C30 | C31 | 0.0° | 0.1° |
| N33 | C29 | C30 | C35 | 179.5° | 180.0° |
| C29 | N33 | C34 | H14 | 179.6° | 90.1° |
| C29 | N33 | C34 | H15 | 59.7° | 149.9° |
| C29 | N33 | C34 | H16 | 60.4° | 30.0° |
| N32 | N33 | C29 | C30 | 0.2° | 0.1° |
| N33 | N32 | C31 | C30 | 0.3° | 0.1° |
| N33 | N32 | C31 | H13 | 179.7° | 179.9° |
| N32 | N33 | C34 | H14 | 0.0° | 90.0° |
| N32 | N33 | C34 | H15 | 120.0° | 30.0° |
| N32 | N33 | C34 | H16 | 120.0° | 149.9° |
| C29 | C30 | C31 | N32 | 0.2° | 0.1° |
| C29 | C30 | C35 | C36 | 0.5° | 0.0° |
| C29 | C30 | C31 | C35 | 179.5° | 179.9° |
| C29 | C30 | C31 | H13 | 179.8° | 179.9° |
| C29 | C30 | C35 | H17 | 179.5° | 179.9° |
| C26 | C23 | C24 | N25 | 107.0° | 174.3° |
| C3 | C2 | C1 | H10 | 119.8° | 120.1° |
| C3 | C2 | C1 | H11 | 119.8° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.1° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H10 | H11 | 120.6° | 120.0° |
| C1 | C2 | C3 | O4 | 21.9° | 0.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H10 | H11 | 120.6° | 120.0° |
| C6 | C7 | C9 | H36 | 119.1° | 120.0° |
| C7 | C6 | H34 | H35 | 119.7° | 120.3° |
| C6 | C7 | C9 | H37 | 60.1° | 53.1° |
| C6 | C7 | C9 | H38 | 179.9° | 173.0° |
| C6 | C7 | C9 | H39 | 59.9° | 67.0° |
| N32 | C31 | C30 | H13 | 180.0° | 179.8° |
| N32 | C31 | C30 | C35 | 179.3° | 180.0° |
| C36 | C35 | C30 | C31 | 180.0° | 179.9° |
| C36 | C35 | C30 | H17 | 180.0° | 180.0° |
| C9 | C7 | C6 | H34 | 54.7° | 66.5° |
| C9 | C7 | C6 | H35 | 174.5° | 53.9° |
| C7 | C9 | H37 | H38 | 120.0° | 119.9° |
| C7 | C9 | H37 | H39 | 120.0° | 120.0° |
| C7 | C9 | H38 | H39 | 120.0° | 120.0° |
| C31 | C30 | C35 | H17 | 0.0° | 0.1° |
| C35 | C30 | C31 | H13 | 0.7° | 0.2° |
| C30 | C35 | C36 | H18 | 179.7° | 180.0° |
| C24 | C23 | C26 | H12 | 0.2° | 0.0° |
| O4 | C3 | C2 | H10 | 97.8° | 120.0° |
| O4 | C3 | C2 | H11 | 141.7° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H10 | 60.2° | 60.0° |
| H1 | C1 | C2 | H11 | 60.2° | 180.0° |
| H2 | C1 | C2 | H10 | 179.8° | 179.9° |
| H2 | C1 | C2 | H11 | 59.8° | 60.0° |
| H3 | C1 | C2 | H10 | 59.8° | 59.9° |
| H3 | C1 | C2 | H11 | 179.8° | 60.0° |
| H4 | C11 | C12 | H6 | 75.9° | 174.1° |
| H5 | C11 | C12 | H6 | 43.1° | 54.1° |
| H6 | C12 | C14 | H7 | 61.8° | 174.5° |
| H6 | C12 | C14 | H8 | 58.2° | 54.5° |
| H6 | C12 | C14 | H9 | 178.2° | 65.5° |
| H7 | C14 | H8 | H9 | 120.0° | 120.0° |
| H14 | C34 | H15 | H16 | 120.0° | 120.0° |
| H17 | C35 | C36 | H18 | 0.3° | 0.0° |
| H19 | C38 | H20 | H21 | 120.0° | 120.0° |
| H22 | C40 | C41 | H24 | 59.8° | 65.7° |
| H23 | C40 | C41 | H24 | 61.8° | 174.3° |
| H24 | C41 | C43 | H25 | 18.9° | 160.0° |
| H24 | C41 | C43 | H26 | 140.2° | 36.2° |
| H25 | C43 | C44 | H27 | 37.0° | 35.9° |
| H25 | C43 | C44 | H28 | 84.9° | 159.1° |
| H26 | C43 | C44 | H27 | 158.3° | 87.9° |
| H26 | C43 | C44 | H28 | 36.4° | 35.3° |
| H27 | C44 | C45 | H29 | 159.6° | 21.2° |
| H27 | C44 | C45 | H30 | 37.7° | 100.1° |
| H28 | C44 | C45 | H29 | 37.7° | 144.4° |
| H28 | C44 | C45 | H30 | 84.2° | 23.2° |
| H31 | C47 | H32 | H33 | 120.0° | 120.0° |
| H34 | C6 | C7 | H36 | 64.6° | 53.6° |
| H35 | C6 | C7 | H36 | 55.2° | 173.9° |
| H36 | C7 | C9 | H37 | 58.9° | 66.9° |
| H36 | C7 | C9 | H38 | 61.0° | 52.9° |
| H36 | C7 | C9 | H39 | 178.9° | 173.0° |
| H37 | C9 | H38 | H39 | 120.0° | 120.1° |
