5JA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C26 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.50Å | 1.50Å | |
| C10 | C13 | sing | 1.51Å | 1.49Å | |
| C5 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N6 | sing | 1.33Å | 1.32Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | N14 | doub | 1.29Å | 1.25Å | Aromatic |
| C13 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C7 | C12 | sing | 1.47Å | 1.46Å | |
| C7 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| N14 | N15 | sing | 1.40Å | 1.32Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | N4 | sing | 1.38Å | 1.38Å | |
| C12 | C11 | doub | 1.37Å | 1.38Å | Aromatic |
| N4 | C29 | sing | 1.40Å | 1.37Å | |
| N15 | C11 | sing | 1.37Å | 1.34Å | Aromatic |
| N15 | C25 | sing | 1.47Å | 1.45Å | |
| C11 | C1 | sing | 1.48Å | 1.47Å | |
| C29 | N30 | doub | 1.31Å | 1.35Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| N30 | N19 | sing | 1.40Å | 1.35Å | Aromatic |
| C1 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.35Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| N19 | C27 | sing | 1.35Å | 1.34Å | Aromatic |
| N19 | C18 | sing | 1.46Å | 1.46Å | |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.43Å | |
| C17 | N16 | sing | 1.47Å | 1.46Å | |
| N16 | C35 | sing | 1.47Å | 1.46Å | |
| N16 | C31 | sing | 1.47Å | 1.47Å | |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| C34 | N33 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | N33 | sing | 1.47Å | 1.47Å | |
| N33 | C36 | sing | 1.47Å | 1.47Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | O38 | sing | 1.43Å | 1.41Å | |
| O38 | C39 | sing | 1.43Å | 1.40Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C9 | C10 | 107.3° | 108.8° |
| C26 | C9 | C8 | 111.6° | 108.8° |
| C9 | C26 | H10 | 109.5° | 109.5° |
| C9 | C26 | H11 | 109.5° | 109.5° |
| C9 | C26 | H12 | 109.4° | 109.5° |
| C26 | C9 | H15 | 107.5° | 108.7° |
| C10 | C9 | C8 | 114.7° | 113.0° |
| C9 | C10 | C13 | 111.8° | 109.7° |
| C9 | C10 | H2 | 108.9° | 109.4° |
| C9 | C10 | H3 | 108.9° | 109.4° |
| C10 | C9 | H15 | 107.6° | 108.7° |
| C9 | C8 | C5 | 121.9° | 120.7° |
| C9 | C8 | C7 | 121.3° | 121.5° |
| C8 | C9 | H15 | 107.8° | 108.8° |
| C10 | C13 | N14 | 125.1° | 130.5° |
| C10 | C13 | C12 | 121.8° | 121.3° |
| C13 | C10 | H2 | 108.9° | 109.4° |
| C13 | C10 | H3 | 108.9° | 109.5° |
| C8 | C5 | N6 | 123.7° | 119.2° |
| C5 | C8 | C7 | 116.7° | 117.8° |
| C8 | C5 | H1 | 118.1° | 120.4° |
| C5 | N6 | C2 | 115.6° | 121.4° |
| N6 | C5 | H1 | 118.1° | 120.4° |
| C8 | C7 | C12 | 117.7° | 117.1° |
| C8 | C7 | N3 | 120.4° | 119.9° |
| N6 | C2 | N3 | 126.1° | 121.5° |
| N6 | C2 | N4 | 115.7° | 119.2° |
| N14 | C13 | C12 | 113.1° | 108.2° |
| C13 | N14 | N15 | 106.5° | 109.1° |
| C13 | C12 | C7 | 120.5° | 120.3° |
| C13 | C12 | C11 | 102.0° | 107.7° |
| C12 | C7 | N3 | 121.9° | 123.0° |
| C7 | C12 | C11 | 137.3° | 132.0° |
| C7 | N3 | C2 | 117.5° | 120.1° |
| N14 | N15 | C11 | 112.2° | 108.3° |
| N14 | N15 | C25 | 118.7° | 125.8° |
| N3 | C2 | N4 | 118.2° | 119.2° |
| C2 | N4 | C29 | 127.8° | 120.0° |
| C2 | N4 | H14 | 116.1° | 120.0° |
| C12 | C11 | N15 | 106.3° | 106.8° |
| C12 | C11 | C1 | 129.9° | 126.6° |
| N4 | C29 | N30 | 120.9° | 126.0° |
| N4 | C29 | C28 | 129.5° | 126.0° |
| C29 | N4 | H14 | 116.1° | 120.0° |
| C11 | N15 | C25 | 129.1° | 125.9° |
| N15 | C11 | C1 | 123.8° | 126.6° |
| N15 | C25 | H20 | 109.5° | 109.4° |
| N15 | C25 | H21 | 109.5° | 109.5° |
| N15 | C25 | H22 | 109.5° | 109.5° |
| C11 | C1 | C24 | 120.5° | 120.2° |
| C11 | C1 | C20 | 121.0° | 120.1° |
| N30 | C29 | C28 | 109.6° | 108.0° |
| C29 | N30 | N19 | 104.7° | 108.2° |
| C29 | C28 | C27 | 106.7° | 107.9° |
| C29 | C28 | H13 | 126.7° | 126.1° |
| N30 | N19 | C27 | 112.1° | 108.0° |
| N30 | N19 | C18 | 124.3° | 126.0° |
| C24 | C1 | C20 | 118.5° | 119.7° |
| C1 | C24 | C23 | 120.4° | 119.8° |
| C1 | C24 | H9 | 119.8° | 120.1° |
| C1 | C20 | C21 | 120.4° | 119.9° |
| C1 | C20 | H6 | 119.8° | 120.1° |
| C28 | C27 | N19 | 107.0° | 107.8° |
| C27 | C28 | H13 | 126.7° | 126.0° |
| C28 | C27 | H23 | 126.5° | 126.1° |
| C24 | C23 | C22 | 120.5° | 120.1° |
| C23 | C24 | H9 | 119.8° | 120.0° |
| C24 | C23 | H19 | 119.8° | 119.9° |
| C20 | C21 | C22 | 120.3° | 120.1° |
| C21 | C20 | H6 | 119.8° | 120.1° |
| C20 | C21 | H7 | 119.9° | 119.9° |
| C27 | N19 | C18 | 123.5° | 126.0° |
| N19 | C27 | H23 | 126.5° | 126.0° |
| N19 | C18 | C17 | 112.2° | 109.5° |
| N19 | C18 | H17 | 108.8° | 109.5° |
| N19 | C18 | H18 | 108.8° | 109.5° |
| C23 | C22 | C21 | 119.8° | 120.3° |
| C23 | C22 | H8 | 120.1° | 119.9° |
| C22 | C23 | H19 | 119.7° | 119.9° |
| C22 | C21 | H7 | 119.8° | 120.0° |
| C21 | C22 | H8 | 120.1° | 119.8° |
| C18 | C17 | N16 | 110.9° | 109.5° |
| C18 | C17 | H4 | 109.1° | 109.5° |
| C18 | C17 | H5 | 109.1° | 109.4° |
| C17 | C18 | H17 | 108.8° | 109.5° |
| C17 | C18 | H18 | 108.8° | 109.4° |
| C17 | N16 | C35 | 109.3° | 111.0° |
| C17 | N16 | C31 | 111.0° | 111.0° |
| N16 | C17 | H4 | 109.1° | 109.5° |
| N16 | C17 | H5 | 109.1° | 109.5° |
| C35 | N16 | C31 | 110.8° | 110.9° |
| N16 | C35 | C34 | 110.6° | 109.4° |
| N16 | C35 | H31 | 109.2° | 109.5° |
| N16 | C35 | H32 | 109.2° | 109.5° |
| N16 | C31 | C32 | 110.9° | 109.3° |
| N16 | C31 | H24 | 109.1° | 109.5° |
| N16 | C31 | H25 | 109.1° | 109.5° |
| C35 | C34 | N33 | 110.1° | 109.4° |
| C35 | C34 | H29 | 109.3° | 109.5° |
| C35 | C34 | H30 | 109.3° | 109.5° |
| C34 | C35 | H31 | 109.2° | 109.5° |
| C34 | C35 | H32 | 109.2° | 109.4° |
| C34 | N33 | C32 | 109.8° | 110.9° |
| C34 | N33 | C36 | 111.4° | 111.0° |
| N33 | C34 | H29 | 109.3° | 109.5° |
| N33 | C34 | H30 | 109.3° | 109.5° |
| C31 | C32 | N33 | 110.5° | 109.4° |
| C32 | C31 | H24 | 109.1° | 109.5° |
| C32 | C31 | H25 | 109.1° | 109.5° |
| C31 | C32 | H26 | 109.2° | 109.4° |
| C31 | C32 | H27 | 109.2° | 109.5° |
| C32 | N33 | C36 | 112.4° | 111.0° |
| N33 | C32 | H26 | 109.2° | 109.5° |
| N33 | C32 | H27 | 109.2° | 109.5° |
| N33 | C36 | C37 | 113.8° | 109.5° |
| N33 | C36 | H33 | 108.4° | 109.5° |
| N33 | C36 | H34 | 108.4° | 109.5° |
| C36 | C37 | O38 | 109.2° | 109.4° |
| C37 | C36 | H33 | 108.4° | 109.4° |
| C37 | C36 | H34 | 108.4° | 109.4° |
| C36 | C37 | H35 | 109.5° | 109.4° |
| C36 | C37 | H36 | 109.6° | 109.4° |
| C37 | O38 | C39 | 113.1° | 113.9° |
| O38 | C37 | H35 | 109.5° | 109.5° |
| O38 | C37 | H36 | 109.5° | 109.5° |
| O38 | C39 | H37 | 109.5° | 109.5° |
| O38 | C39 | H38 | 109.5° | 109.5° |
| O38 | C39 | H39 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H10 | C26 | H12 | 109.5° | 109.4° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H20 | C25 | H21 | 109.4° | 109.4° |
| H20 | C25 | H22 | 109.4° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.5° |
| H26 | C32 | H27 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H33 | C36 | H34 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H37 | C39 | H38 | 109.5° | 109.5° |
| H37 | C39 | H39 | 109.5° | 109.4° |
| H38 | C39 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C9 | C10 | C8 | 124.6° | 121.0° |
| C26 | C9 | C10 | H15 | 115.4° | 118.2° |
| C26 | C9 | C8 | H15 | 117.9° | 118.3° |
| C26 | C9 | C10 | C13 | 85.5° | 74.2° |
| C26 | C9 | C8 | C5 | 87.3° | 92.7° |
| C26 | C9 | C8 | C7 | 91.3° | 85.0° |
| C26 | C9 | C10 | H2 | 34.9° | 165.8° |
| C26 | C9 | C10 | H3 | 154.2° | 45.9° |
| C9 | C26 | H10 | H11 | 120.0° | 120.0° |
| C9 | C26 | H10 | H12 | 120.0° | 120.0° |
| C9 | C26 | H11 | H12 | 120.0° | 120.0° |
| C10 | C9 | C8 | H15 | 119.8° | 120.8° |
| C9 | C10 | C13 | H2 | 120.3° | 120.1° |
| C9 | C10 | C13 | H3 | 120.4° | 120.0° |
| C10 | C9 | C8 | C5 | 150.3° | 146.3° |
| C10 | C9 | C8 | C7 | 31.0° | 36.0° |
| C9 | C10 | C13 | N14 | 154.3° | 148.7° |
| C9 | C10 | C13 | C12 | 23.5° | 31.5° |
| C9 | C10 | H2 | H3 | 119.0° | 119.9° |
| C10 | C9 | C26 | H10 | 180.0° | 60.0° |
| C10 | C9 | C26 | H11 | 60.0° | 180.0° |
| C10 | C9 | C26 | H12 | 60.0° | 60.0° |
| C8 | C9 | C10 | C13 | 39.2° | 46.8° |
| C9 | C8 | C5 | C7 | 178.7° | 177.8° |
| C9 | C8 | C5 | N6 | 178.7° | 176.0° |
| C9 | C8 | C7 | C12 | 3.3° | 4.4° |
| C9 | C8 | C7 | N3 | 179.2° | 174.5° |
| C9 | C8 | C5 | H1 | 1.2° | 4.1° |
| C8 | C9 | C10 | H2 | 159.5° | 73.3° |
| C8 | C9 | C10 | H3 | 81.2° | 166.9° |
| C8 | C9 | C26 | H10 | 53.5° | 63.5° |
| C8 | C9 | C26 | H11 | 173.6° | 56.5° |
| C8 | C9 | C26 | H12 | 66.4° | 176.5° |
| C10 | C13 | N14 | C12 | 178.0° | 179.7° |
| C10 | C13 | C12 | C7 | 3.6° | 1.2° |
| C10 | C13 | N14 | N15 | 179.4° | 179.1° |
| C10 | C13 | C12 | C11 | 179.4° | 179.0° |
| C13 | C10 | H2 | H3 | 118.9° | 119.9° |
| C13 | C10 | C9 | H15 | 159.1° | 167.6° |
| C8 | C5 | N6 | H1 | 180.0° | 179.9° |
| C8 | C5 | N6 | C2 | 0.4° | 0.4° |
| C5 | C8 | C7 | C12 | 178.0° | 177.9° |
| C5 | C8 | C7 | N3 | 0.6° | 3.3° |
| C5 | C8 | C9 | H15 | 30.6° | 25.6° |
| N6 | C5 | C8 | C7 | 0.1° | 1.8° |
| C5 | N6 | C2 | N3 | 0.5° | 1.1° |
| C5 | N6 | C2 | N4 | 179.8° | 178.9° |
| C8 | C7 | C12 | C13 | 14.8° | 14.0° |
| C8 | C7 | C12 | N3 | 177.5° | 178.8° |
| C8 | C7 | N3 | C2 | 0.5° | 2.6° |
| C8 | C7 | C12 | C11 | 171.2° | 165.8° |
| C7 | C8 | C5 | H1 | 179.9° | 178.1° |
| C7 | C8 | C9 | H15 | 150.8° | 156.8° |
| N6 | C2 | N3 | C7 | 0.0° | 0.4° |
| N6 | C2 | N3 | N4 | 179.3° | 179.9° |
| N6 | C2 | N4 | C29 | 179.6° | 0.1° |
| C2 | N6 | C5 | H1 | 179.6° | 179.7° |
| N6 | C2 | N4 | H14 | 0.4° | 180.0° |
| N14 | C13 | C12 | C7 | 178.3° | 179.1° |
| N14 | C13 | C12 | C11 | 2.5° | 0.8° |
| C13 | N14 | N15 | C11 | 0.3° | 0.3° |
| C13 | N14 | N15 | C25 | 179.7° | 179.8° |
| N14 | C13 | C10 | H2 | 34.0° | 91.2° |
| N14 | C13 | C10 | H3 | 85.3° | 28.7° |
| C13 | C12 | C7 | C11 | 174.0° | 179.8° |
| C13 | C12 | C7 | N3 | 162.7° | 167.2° |
| C12 | C13 | N14 | N15 | 1.4° | 0.6° |
| C13 | C12 | C11 | N15 | 2.5° | 0.6° |
| C13 | C12 | C11 | C1 | 179.8° | 179.4° |
| C12 | C13 | C10 | H2 | 143.9° | 88.5° |
| C12 | C13 | C10 | H3 | 96.8° | 151.6° |
| C12 | C7 | N3 | C2 | 177.9° | 178.6° |
| C7 | C12 | C11 | N15 | 177.1° | 179.2° |
| C7 | C12 | C11 | C1 | 5.5° | 0.7° |
| C7 | N3 | C2 | N4 | 179.3° | 179.5° |
| N3 | C7 | C12 | C11 | 11.3° | 13.0° |
| N14 | N15 | C11 | C12 | 1.9° | 0.2° |
| N14 | N15 | C11 | C25 | 180.0° | 179.9° |
| N14 | N15 | C11 | C1 | 179.5° | 179.8° |
| N14 | N15 | C25 | H20 | 0.0° | 90.0° |
| N14 | N15 | C25 | H21 | 120.0° | 150.0° |
| N14 | N15 | C25 | H22 | 120.0° | 30.0° |
| N3 | C2 | N4 | C29 | 1.0° | 180.0° |
| N3 | C2 | N4 | H14 | 179.0° | 0.1° |
| C2 | N4 | C29 | H14 | 180.0° | 179.9° |
| C2 | N4 | C29 | N30 | 179.1° | 180.0° |
| C2 | N4 | C29 | C28 | 1.6° | 0.1° |
| C12 | C11 | N15 | C1 | 177.6° | 180.0° |
| C12 | C11 | N15 | C25 | 178.1° | 179.7° |
| C12 | C11 | C1 | C24 | 108.6° | 135.0° |
| C12 | C11 | C1 | C20 | 73.2° | 44.5° |
| N4 | C29 | N30 | C28 | 179.4° | 179.9° |
| N4 | C29 | N30 | N19 | 178.5° | 179.7° |
| N4 | C29 | C28 | C27 | 179.2° | 179.9° |
| N4 | C29 | C28 | H13 | 0.8° | 0.4° |
| N15 | C11 | C1 | C24 | 74.4° | 45.0° |
| N15 | C11 | C1 | C20 | 103.8° | 135.6° |
| C11 | N15 | C25 | H20 | 180.0° | 90.1° |
| C11 | N15 | C25 | H21 | 60.0° | 29.9° |
| C11 | N15 | C25 | H22 | 60.0° | 150.0° |
| C25 | N15 | C11 | C1 | 0.6° | 0.3° |
| N15 | C25 | H20 | H21 | 120.0° | 120.0° |
| N15 | C25 | H20 | H22 | 120.0° | 120.0° |
| N15 | C25 | H21 | H22 | 120.0° | 120.0° |
| C11 | C1 | C24 | C20 | 178.3° | 179.4° |
| C11 | C1 | C24 | C23 | 179.4° | 179.9° |
| C11 | C1 | C20 | C21 | 179.4° | 179.5° |
| C11 | C1 | C20 | H6 | 0.6° | 0.3° |
| C11 | C1 | C24 | H9 | 0.6° | 0.9° |
| N30 | C29 | C28 | C27 | 0.1° | 0.1° |
| C29 | N30 | N19 | C27 | 1.3° | 0.3° |
| C29 | N30 | N19 | C18 | 177.6° | 180.0° |
| N30 | C29 | C28 | H13 | 179.9° | 179.7° |
| N30 | C29 | N4 | H14 | 0.9° | 0.2° |
| C28 | C29 | N30 | N19 | 0.9° | 0.1° |
| C29 | C28 | C27 | H13 | 180.0° | 179.7° |
| C29 | C28 | C27 | N19 | 0.7° | 0.2° |
| C28 | C29 | N4 | H14 | 178.4° | 180.0° |
| C29 | C28 | C27 | H23 | 179.3° | 179.8° |
| N30 | N19 | C27 | C28 | 1.3° | 0.3° |
| N30 | N19 | C27 | C18 | 176.3° | 179.7° |
| N30 | N19 | C18 | C17 | 66.5° | 54.6° |
| N30 | N19 | C18 | H17 | 173.1° | 174.7° |
| N30 | N19 | C18 | H18 | 53.9° | 65.4° |
| N30 | N19 | C27 | H23 | 178.7° | 179.7° |
| C1 | C24 | C23 | H9 | 180.0° | 179.1° |
| C24 | C1 | C20 | C21 | 1.1° | 0.0° |
| C1 | C24 | C23 | C22 | 0.7° | 1.0° |
| C24 | C1 | C20 | H6 | 178.9° | 179.8° |
| C1 | C24 | C23 | H19 | 179.3° | 179.9° |
| C20 | C1 | C24 | C23 | 1.1° | 0.6° |
| C1 | C20 | C21 | H6 | 180.0° | 179.8° |
| C1 | C20 | C21 | C22 | 0.7° | 0.2° |
| C1 | C20 | C21 | H7 | 179.3° | 179.7° |
| C20 | C1 | C24 | H9 | 178.9° | 179.7° |
| C28 | C27 | N19 | H23 | 180.0° | 180.0° |
| C28 | C27 | N19 | C18 | 177.6° | 180.0° |
| C24 | C23 | C22 | H19 | 180.0° | 179.1° |
| C24 | C23 | C22 | C21 | 0.2° | 0.7° |
| C24 | C23 | C22 | H8 | 179.8° | 179.4° |
| C20 | C21 | C22 | C23 | 0.2° | 0.1° |
| C20 | C21 | C22 | H7 | 180.0° | 179.9° |
| C20 | C21 | C22 | H8 | 179.8° | 180.0° |
| C27 | N19 | C18 | C17 | 117.6° | 125.0° |
| N19 | C27 | C28 | H13 | 179.3° | 179.9° |
| C27 | N19 | C18 | H17 | 2.8° | 5.0° |
| C27 | N19 | C18 | H18 | 122.0° | 115.0° |
| N19 | C18 | C17 | H17 | 120.4° | 120.1° |
| N19 | C18 | C17 | H18 | 120.4° | 120.0° |
| N19 | C18 | C17 | N16 | 165.1° | 180.0° |
| N19 | C18 | C17 | H4 | 44.9° | 59.9° |
| N19 | C18 | C17 | H5 | 74.7° | 60.0° |
| N19 | C18 | H17 | H18 | 118.7° | 120.0° |
| C18 | N19 | C27 | H23 | 2.3° | 0.0° |
| C23 | C22 | C21 | H8 | 180.0° | 179.9° |
| C23 | C22 | C21 | H7 | 179.8° | 180.0° |
| C22 | C23 | C24 | H9 | 179.3° | 180.0° |
| C22 | C21 | C20 | H6 | 179.3° | 180.0° |
| C21 | C22 | C23 | H19 | 179.7° | 179.8° |
| C18 | C17 | N16 | H4 | 120.2° | 120.1° |
| C18 | C17 | N16 | H5 | 120.2° | 120.0° |
| C18 | C17 | N16 | C35 | 160.7° | 170.0° |
| C18 | C17 | N16 | C31 | 76.8° | 66.2° |
| C18 | C17 | H4 | H5 | 119.3° | 119.9° |
| C17 | C18 | H17 | H18 | 118.8° | 119.9° |
| C17 | N16 | C35 | C31 | 122.6° | 123.8° |
| C17 | N16 | C35 | C34 | 179.3° | 176.8° |
| C17 | N16 | C31 | C32 | 176.6° | 176.8° |
| N16 | C17 | H4 | H5 | 119.4° | 120.0° |
| N16 | C17 | C18 | H17 | 74.5° | 59.9° |
| N16 | C17 | C18 | H18 | 44.7° | 60.0° |
| C17 | N16 | C31 | H24 | 56.4° | 63.2° |
| C17 | N16 | C31 | H25 | 63.1° | 56.9° |
| C17 | N16 | C35 | H31 | 60.5° | 56.9° |
| C17 | N16 | C35 | H32 | 59.1° | 63.3° |
| N16 | C35 | C34 | H31 | 120.2° | 120.0° |
| N16 | C35 | C34 | H32 | 120.2° | 120.0° |
| N16 | C35 | C34 | N33 | 59.3° | 58.4° |
| C35 | N16 | C31 | C32 | 55.0° | 59.3° |
| C35 | N16 | C17 | H4 | 40.4° | 70.0° |
| C35 | N16 | C17 | H5 | 79.1° | 50.0° |
| C35 | N16 | C31 | H24 | 65.2° | 60.7° |
| C35 | N16 | C31 | H25 | 175.2° | 179.3° |
| N16 | C35 | C34 | H29 | 60.8° | 178.4° |
| N16 | C35 | C34 | H30 | 179.4° | 61.6° |
| N16 | C35 | H31 | H32 | 119.5° | 120.1° |
| C31 | N16 | C35 | C34 | 56.7° | 59.3° |
| N16 | C31 | C32 | H24 | 120.2° | 120.0° |
| N16 | C31 | C32 | H25 | 120.2° | 119.9° |
| N16 | C31 | C32 | N33 | 55.8° | 58.4° |
| C31 | N16 | C17 | H4 | 162.9° | 53.8° |
| C31 | N16 | C17 | H5 | 43.4° | 173.8° |
| N16 | C31 | H24 | H25 | 119.3° | 120.0° |
| N16 | C31 | C32 | H26 | 175.9° | 178.4° |
| N16 | C31 | C32 | H27 | 64.4° | 61.6° |
| C31 | N16 | C35 | H31 | 176.8° | 179.3° |
| C31 | N16 | C35 | H32 | 63.5° | 60.6° |
| C35 | C34 | N33 | H29 | 120.1° | 120.0° |
| C35 | C34 | N33 | H30 | 120.1° | 120.0° |
| C35 | C34 | N33 | C32 | 59.8° | 59.3° |
| C35 | C34 | N33 | C36 | 175.0° | 176.8° |
| C35 | C34 | H29 | H30 | 119.7° | 120.1° |
| C34 | C35 | H31 | H32 | 119.5° | 120.0° |
| C34 | N33 | C32 | C31 | 58.1° | 59.3° |
| C34 | N33 | C32 | C36 | 124.7° | 123.9° |
| C34 | N33 | C36 | C37 | 146.7° | 66.2° |
| C34 | N33 | C32 | H26 | 178.2° | 179.2° |
| C34 | N33 | C32 | H27 | 62.0° | 60.7° |
| N33 | C34 | H29 | H30 | 119.7° | 120.0° |
| N33 | C34 | C35 | H31 | 179.5° | 178.4° |
| N33 | C34 | C35 | H32 | 60.9° | 61.6° |
| C34 | N33 | C36 | H33 | 92.6° | 173.9° |
| C34 | N33 | C36 | H34 | 26.1° | 53.8° |
| C31 | C32 | N33 | H26 | 120.1° | 119.9° |
| C31 | C32 | N33 | H27 | 120.1° | 120.0° |
| C31 | C32 | N33 | C36 | 177.2° | 176.8° |
| C32 | C31 | H24 | H25 | 119.4° | 120.1° |
| C31 | C32 | H26 | H27 | 119.5° | 120.0° |
| C32 | N33 | C36 | C37 | 89.5° | 170.0° |
| N33 | C32 | C31 | H24 | 64.5° | 61.6° |
| N33 | C32 | C31 | H25 | 176.0° | 178.3° |
| N33 | C32 | H26 | H27 | 119.5° | 120.1° |
| C32 | N33 | C34 | H29 | 60.3° | 179.3° |
| C32 | N33 | C34 | H30 | 179.8° | 60.7° |
| C32 | N33 | C36 | H33 | 31.2° | 50.0° |
| C32 | N33 | C36 | H34 | 149.9° | 70.0° |
| N33 | C36 | C37 | H33 | 120.7° | 120.0° |
| N33 | C36 | C37 | H34 | 120.6° | 120.0° |
| N33 | C36 | C37 | O38 | 80.7° | 65.0° |
| C36 | N33 | C32 | H26 | 57.1° | 56.9° |
| C36 | N33 | C32 | H27 | 62.6° | 63.2° |
| C36 | N33 | C34 | H29 | 64.9° | 56.8° |
| C36 | N33 | C34 | H30 | 54.9° | 63.2° |
| N33 | C36 | H33 | H34 | 118.0° | 120.1° |
| N33 | C36 | C37 | H35 | 39.2° | 175.0° |
| N33 | C36 | C37 | H36 | 159.3° | 55.0° |
| C36 | C37 | O38 | H35 | 120.0° | 120.0° |
| C36 | C37 | O38 | H36 | 120.0° | 119.9° |
| C36 | C37 | O38 | C39 | 92.1° | 180.0° |
| C37 | C36 | H33 | H34 | 118.0° | 119.9° |
| C36 | C37 | H35 | H36 | 120.2° | 119.9° |
| O38 | C37 | C36 | H33 | 158.6° | 55.0° |
| O38 | C37 | C36 | H34 | 39.9° | 175.0° |
| O38 | C37 | H35 | H36 | 120.1° | 120.1° |
| C37 | O38 | C39 | H37 | 180.0° | 60.0° |
| C37 | O38 | C39 | H38 | 60.0° | 60.0° |
| C37 | O38 | C39 | H39 | 60.0° | 180.0° |
| C39 | O38 | C37 | H35 | 147.9° | 60.0° |
| C39 | O38 | C37 | H36 | 27.9° | 60.1° |
| O38 | C39 | H37 | H38 | 120.0° | 120.0° |
| O38 | C39 | H37 | H39 | 120.0° | 120.0° |
| O38 | C39 | H38 | H39 | 120.0° | 120.0° |
| H2 | C10 | C9 | H15 | 80.6° | 47.6° |
| H3 | C10 | C9 | H15 | 38.8° | 72.3° |
| H4 | C17 | C18 | H17 | 165.3° | 180.0° |
| H4 | C17 | C18 | H18 | 75.5° | 60.1° |
| H5 | C17 | C18 | H17 | 45.7° | 60.1° |
| H5 | C17 | C18 | H18 | 164.9° | NaN° |
| H6 | C20 | C21 | H7 | 0.7° | 0.1° |
| H7 | C21 | C22 | H8 | 0.2° | 0.1° |
| H8 | C22 | C23 | H19 | 0.3° | 0.3° |
| H9 | C24 | C23 | H19 | 0.7° | 0.9° |
| H10 | C26 | H11 | H12 | 120.0° | 119.9° |
| H10 | C26 | C9 | H15 | 64.5° | 178.2° |
| H11 | C26 | C9 | H15 | 55.5° | 61.8° |
| H12 | C26 | C9 | H15 | 175.5° | 58.2° |
| H13 | C28 | C27 | H23 | 0.7° | 0.1° |
| H20 | C25 | H21 | H22 | 119.9° | 120.0° |
| H24 | C31 | C32 | H26 | 55.7° | 58.4° |
| H24 | C31 | C32 | H27 | 175.4° | 178.4° |
| H25 | C31 | C32 | H26 | 63.9° | 61.7° |
| H25 | C31 | C32 | H27 | 55.8° | 58.3° |
| H29 | C34 | C35 | H31 | 59.4° | 61.6° |
| H29 | C34 | C35 | H32 | 179.0° | 58.4° |
| H30 | C34 | C35 | H31 | 60.4° | 58.4° |
| H30 | C34 | C35 | H32 | 59.2° | 178.5° |
| H33 | C36 | C37 | H35 | 81.4° | 65.0° |
| H33 | C36 | C37 | H36 | 38.7° | 175.0° |
| H34 | C36 | C37 | H35 | 159.8° | 55.0° |
| H34 | C36 | C37 | H36 | 80.1° | 65.0° |
| H37 | C39 | H38 | H39 | 120.0° | 119.9° |
