A1J20
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C13 | N15 | sing | 1.35Å | 1.49Å | |
| C13 | O14 | doub | 1.21Å | 1.19Å | |
| C16 | C17 | doub | 1.34Å | 1.35Å | |
| C16 | N15 | sing | 1.39Å | 1.39Å | |
| C17 | C18 | sing | 1.48Å | 1.38Å | |
| C18 | C19 | doub | 1.39Å | 1.60Å | Aromatic |
| C18 | C50 | sing | 1.40Å | 1.50Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.33Å | Aromatic |
| C20 | C48 | doub | 1.39Å | 1.26Å | Aromatic |
| C20 | N21 | sing | 1.40Å | 1.48Å | |
| C22 | C24 | sing | 1.48Å | 1.55Å | |
| C22 | N21 | sing | 1.35Å | 1.47Å | |
| C22 | O23 | doub | 1.22Å | 1.19Å | |
| C07 | C09 | sing | 1.53Å | 1.54Å | |
| C07 | O08 | sing | 1.43Å | 1.41Å | |
| C24 | C25 | doub | 1.40Å | 1.33Å | Aromatic |
| C24 | C47 | sing | 1.40Å | 1.54Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.54Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.33Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.56Å | |
| C27 | C46 | sing | 1.38Å | 1.54Å | Aromatic |
| C28 | N29 | sing | 1.46Å | 1.48Å | |
| C30 | C32 | sing | 1.48Å | 1.55Å | |
| C30 | N29 | sing | 1.35Å | 1.48Å | |
| C30 | O31 | doub | 1.22Å | 1.19Å | |
| C32 | C33 | sing | 1.40Å | 1.27Å | Aromatic |
| C32 | C42 | doub | 1.40Å | 1.41Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.23Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.47Å | Aromatic |
| C35 | C41 | doub | 1.40Å | 1.52Å | Aromatic |
| C35 | N36 | sing | 1.40Å | 1.60Å | |
| C37 | C39 | sing | 1.51Å | 1.43Å | |
| C37 | N36 | sing | 1.35Å | 1.49Å | |
| C37 | O38 | doub | 1.21Å | 1.40Å | |
| C39 | O40 | sing | 1.43Å | 1.27Å | |
| C41 | O40 | sing | 1.36Å | 1.34Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | N29 | sing | 1.47Å | 1.48Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C46 | C47 | doub | 1.38Å | 1.33Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.33Å | Aromatic |
| C49 | C50 | doub | 1.38Å | 1.59Å | Aromatic |
| C51 | N15 | sing | 1.47Å | 1.60Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.08Å | 1.08Å | |
| C34 | H20 | sing | 1.08Å | 1.08Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.08Å | 1.08Å | |
| C43 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C45 | H30 | sing | 1.09Å | 1.10Å | |
| C45 | H31 | sing | 1.09Å | 1.10Å | |
| C46 | H32 | sing | 1.08Å | 1.08Å | |
| C47 | H33 | sing | 1.08Å | 1.08Å | |
| C48 | H34 | sing | 1.08Å | 1.08Å | |
| C49 | H35 | sing | 1.08Å | 1.08Å | |
| C51 | H37 | sing | 1.09Å | 1.10Å | |
| C51 | H38 | sing | 1.09Å | 1.10Å | |
| N21 | H40 | sing | 0.97Å | 1.00Å | |
| N36 | H41 | sing | 0.97Å | 1.00Å | |
| O08 | H42 | sing | 0.97Å | 0.95Å | |
| C41 | C42 | sing | 1.38Å | 1.70Å | Aromatic |
| C50 | C51 | sing | 1.51Å | 1.75Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 108.4° | 109.5° |
| C10 | C11 | C12 | 109.8° | 109.5° |
| C11 | C10 | H1 | 109.7° | 109.4° |
| C11 | C10 | H2 | 109.8° | 109.4° |
| C10 | C11 | H3 | 109.4° | 109.4° |
| C10 | C11 | H4 | 109.4° | 109.5° |
| C10 | C09 | C07 | 110.5° | 109.5° |
| C09 | C10 | H1 | 109.8° | 109.5° |
| C09 | C10 | H2 | 109.7° | 109.5° |
| C10 | C09 | H12 | 109.2° | 109.5° |
| C10 | C09 | H13 | 109.2° | 109.5° |
| C11 | C12 | C13 | 109.5° | 109.5° |
| C12 | C11 | H3 | 109.4° | 109.5° |
| C12 | C11 | H4 | 109.4° | 109.4° |
| C11 | C12 | H5 | 109.4° | 109.4° |
| C11 | C12 | H6 | 109.4° | 109.4° |
| C12 | C13 | N15 | 122.3° | 120.0° |
| C12 | C13 | O14 | 118.4° | 120.0° |
| C13 | C12 | H5 | 109.5° | 109.5° |
| C13 | C12 | H6 | 109.5° | 109.5° |
| N15 | C13 | O14 | 119.3° | 120.0° |
| C13 | N15 | C16 | 119.4° | 120.1° |
| C13 | N15 | C51 | 124.6° | 120.2° |
| C17 | C16 | N15 | 127.3° | 119.7° |
| C16 | C17 | C18 | 127.5° | 119.3° |
| C17 | C16 | H7 | 116.4° | 120.2° |
| C16 | C17 | H8 | 116.3° | 120.3° |
| C16 | N15 | C51 | 116.0° | 119.7° |
| N15 | C16 | H7 | 116.3° | 120.2° |
| C17 | C18 | C19 | 129.9° | 120.8° |
| C17 | C18 | C50 | 116.5° | 119.3° |
| C18 | C17 | H8 | 116.3° | 120.4° |
| C19 | C18 | C50 | 113.6° | 119.9° |
| C18 | C19 | C20 | 121.7° | 119.6° |
| C18 | C19 | H9 | 119.2° | 120.2° |
| C18 | C50 | C49 | 112.7° | 120.0° |
| C18 | C50 | C51 | 118.6° | 119.3° |
| C19 | C20 | C48 | 125.7° | 120.1° |
| C19 | C20 | N21 | 117.6° | 119.9° |
| C20 | C19 | H9 | 119.1° | 120.2° |
| C48 | C20 | N21 | 116.6° | 120.0° |
| C20 | C48 | C49 | 122.4° | 120.3° |
| C20 | C48 | H34 | 118.8° | 119.9° |
| C20 | N21 | C22 | 120.1° | 120.0° |
| C20 | N21 | H40 | 120.0° | 120.0° |
| C24 | C22 | N21 | 120.2° | 120.0° |
| C24 | C22 | O23 | 119.7° | 120.0° |
| C22 | C24 | C25 | 118.0° | 120.1° |
| C22 | C24 | C47 | 122.0° | 120.2° |
| N21 | C22 | O23 | 120.1° | 120.0° |
| C22 | N21 | H40 | 120.0° | 120.0° |
| C09 | C07 | O08 | 106.5° | 109.4° |
| C09 | C07 | H10 | 110.2° | 109.4° |
| C09 | C07 | H11 | 110.2° | 109.5° |
| C07 | C09 | H12 | 109.2° | 109.4° |
| C07 | C09 | H13 | 109.2° | 109.5° |
| O08 | C07 | H10 | 110.2° | 109.5° |
| O08 | C07 | H11 | 110.2° | 109.5° |
| C07 | O08 | H42 | 109.5° | 114.0° |
| C25 | C24 | C47 | 120.0° | 119.7° |
| C24 | C25 | C26 | 120.1° | 119.9° |
| C24 | C25 | H14 | 120.0° | 120.1° |
| C24 | C47 | C46 | 119.8° | 119.9° |
| C24 | C47 | H33 | 120.1° | 120.1° |
| C25 | C26 | C27 | 120.2° | 120.2° |
| C26 | C25 | H14 | 119.9° | 120.1° |
| C25 | C26 | H15 | 119.9° | 120.0° |
| C26 | C27 | C28 | 118.9° | 119.9° |
| C26 | C27 | C46 | 119.9° | 120.3° |
| C27 | C26 | H15 | 119.9° | 119.9° |
| C28 | C27 | C46 | 121.2° | 119.9° |
| C27 | C28 | N29 | 110.4° | 109.5° |
| C27 | C28 | H16 | 109.2° | 109.5° |
| C27 | C28 | H17 | 109.3° | 109.5° |
| C27 | C46 | C47 | 120.0° | 120.2° |
| C27 | C46 | H32 | 120.0° | 119.9° |
| C28 | N29 | C30 | 119.8° | 120.0° |
| C28 | N29 | C43 | 119.8° | 120.0° |
| N29 | C28 | H16 | 109.3° | 109.5° |
| N29 | C28 | H17 | 109.3° | 109.5° |
| C32 | C30 | N29 | 121.6° | 120.0° |
| C32 | C30 | O31 | 118.6° | 120.0° |
| C30 | C32 | C33 | 115.3° | 120.0° |
| C30 | C32 | C42 | 116.5° | 120.0° |
| N29 | C30 | O31 | 119.8° | 120.0° |
| C30 | N29 | C43 | 120.5° | 120.0° |
| C33 | C32 | C42 | 128.2° | 119.9° |
| C32 | C33 | C34 | 125.0° | 120.1° |
| C32 | C33 | H19 | 117.5° | 120.0° |
| C32 | C42 | H24 | 124.4° | 120.1° |
| C32 | C42 | C41 | 111.2° | 119.8° |
| C33 | C34 | C35 | 126.2° | 120.1° |
| C34 | C33 | H19 | 117.5° | 120.0° |
| C33 | C34 | H20 | 116.9° | 120.0° |
| C34 | C35 | C41 | 115.2° | 120.2° |
| C34 | C35 | N36 | 128.4° | 120.6° |
| C35 | C34 | H20 | 116.9° | 120.0° |
| C41 | C35 | N36 | 116.4° | 119.2° |
| C35 | C41 | O40 | 116.3° | 119.5° |
| C35 | C41 | C42 | 114.3° | 120.0° |
| C35 | N36 | C37 | 115.7° | 119.1° |
| C35 | N36 | H41 | 122.1° | 120.4° |
| C39 | C37 | N36 | 116.9° | 119.7° |
| C39 | C37 | O38 | 122.3° | 120.2° |
| C37 | C39 | O40 | 123.7° | 109.6° |
| C37 | C39 | H21 | 105.8° | 109.5° |
| C37 | C39 | H22 | 105.8° | 109.4° |
| N36 | C37 | O38 | 120.8° | 120.1° |
| C37 | N36 | H41 | 122.1° | 120.5° |
| C39 | O40 | C41 | 127.6° | 116.7° |
| O40 | C39 | H21 | 105.8° | 109.5° |
| O40 | C39 | H22 | 105.8° | 109.5° |
| O40 | C41 | C42 | 129.4° | 120.5° |
| C44 | C43 | C45 | 60.2° | 60.0° |
| C44 | C43 | N29 | 115.6° | 117.5° |
| C43 | C44 | C45 | 59.8° | 60.0° |
| C44 | C43 | H27 | 116.8° | 117.5° |
| C43 | C44 | H28 | 120.0° | 117.5° |
| C43 | C44 | H29 | 120.1° | 117.5° |
| C45 | C43 | N29 | 116.8° | 117.5° |
| C43 | C45 | C44 | 60.0° | 60.0° |
| C45 | C43 | H27 | 116.8° | 117.6° |
| C43 | C45 | H30 | 120.0° | 117.5° |
| C43 | C45 | H31 | 120.0° | 117.6° |
| N29 | C43 | H27 | 117.9° | 115.5° |
| C45 | C44 | H28 | 120.0° | 117.5° |
| C45 | C44 | H29 | 120.0° | 117.5° |
| C44 | C45 | H30 | 120.0° | 117.5° |
| C44 | C45 | H31 | 120.0° | 117.5° |
| C47 | C46 | H32 | 120.0° | 120.0° |
| C46 | C47 | H33 | 120.1° | 120.1° |
| C48 | C49 | C50 | 123.9° | 120.1° |
| C49 | C48 | H34 | 118.8° | 119.9° |
| C48 | C49 | H35 | 118.1° | 119.9° |
| C50 | C49 | H35 | 118.0° | 120.0° |
| C49 | C50 | C51 | 128.7° | 120.7° |
| N15 | C51 | H37 | 109.4° | 109.6° |
| N15 | C51 | H38 | 109.4° | 109.6° |
| N15 | C51 | C50 | 109.7° | 109.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.4° |
| H12 | C09 | H13 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.4° | 109.4° |
| H21 | C39 | H22 | 109.5° | 109.4° |
| H24 | C42 | C41 | 124.4° | 120.1° |
| H28 | C44 | H29 | 109.5° | 115.5° |
| H30 | C45 | H31 | 109.5° | 115.5° |
| H37 | C51 | H38 | 109.4° | 109.5° |
| H37 | C51 | C50 | 109.4° | 109.5° |
| H38 | C51 | C50 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 119.8° | 119.9° |
| C11 | C10 | C09 | H2 | 119.9° | 120.0° |
| C10 | C11 | C12 | H3 | 120.0° | 119.9° |
| C10 | C11 | C12 | H4 | 120.1° | 120.0° |
| C10 | C11 | C12 | C13 | 105.0° | 180.0° |
| C11 | C10 | C09 | C07 | 177.0° | 180.0° |
| C11 | C10 | H1 | H2 | 120.5° | 119.9° |
| C10 | C11 | H3 | H4 | 119.9° | 120.0° |
| C10 | C11 | C12 | H5 | 15.0° | 60.0° |
| C10 | C11 | C12 | H6 | 135.0° | 60.0° |
| C11 | C10 | C09 | H12 | 62.9° | 60.0° |
| C11 | C10 | C09 | H13 | 56.8° | 60.0° |
| C09 | C10 | C11 | C12 | 130.7° | 180.0° |
| C10 | C09 | C07 | H12 | 120.2° | 119.9° |
| C10 | C09 | C07 | H13 | 120.1° | 120.1° |
| C10 | C09 | C07 | O08 | 133.9° | 180.0° |
| C09 | C10 | H1 | H2 | 120.5° | 120.1° |
| C09 | C10 | C11 | H3 | 109.3° | 60.0° |
| C09 | C10 | C11 | H4 | 10.6° | 60.0° |
| C10 | C09 | C07 | H10 | 14.3° | 60.0° |
| C10 | C09 | C07 | H11 | 106.6° | 59.9° |
| C10 | C09 | H12 | H13 | 119.5° | 120.1° |
| C11 | C12 | C13 | H5 | 120.0° | 120.0° |
| C11 | C12 | C13 | H6 | 120.0° | 119.9° |
| C11 | C12 | C13 | N15 | 136.1° | 180.0° |
| C11 | C12 | C13 | O14 | 44.1° | 0.0° |
| C12 | C11 | C10 | H1 | 109.5° | 60.0° |
| C12 | C11 | C10 | H2 | 10.8° | 60.0° |
| C12 | C11 | H3 | H4 | 119.9° | 120.0° |
| C11 | C12 | H5 | H6 | 119.9° | 120.0° |
| C12 | C13 | N15 | O14 | 179.8° | 180.0° |
| C12 | C13 | N15 | C16 | 179.4° | 0.0° |
| C12 | C13 | N15 | C51 | 0.8° | 180.0° |
| C13 | C12 | C11 | H3 | 134.9° | 60.0° |
| C13 | C12 | C11 | H4 | 15.0° | 60.0° |
| C13 | C12 | H5 | H6 | 120.0° | 120.0° |
| C13 | N15 | C16 | C17 | 158.5° | 148.0° |
| C13 | N15 | C16 | C51 | 178.8° | 180.0° |
| N15 | C13 | C12 | H5 | 103.9° | 60.0° |
| N15 | C13 | C12 | H6 | 16.1° | 60.1° |
| C13 | N15 | C16 | H7 | 21.5° | 31.7° |
| C13 | N15 | C51 | H37 | 35.7° | 103.8° |
| C13 | N15 | C51 | H38 | 84.2° | 16.4° |
| C13 | N15 | C51 | C50 | 155.7° | 136.3° |
| O14 | C13 | N15 | C16 | 0.4° | 180.0° |
| O14 | C13 | N15 | C51 | 179.0° | 0.0° |
| O14 | C13 | C12 | H5 | 75.9° | 120.0° |
| O14 | C13 | C12 | H6 | 164.1° | 120.0° |
| C17 | C16 | N15 | H7 | 180.0° | 179.7° |
| C16 | C17 | C18 | H8 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 172.5° | 167.8° |
| C16 | C17 | C18 | C50 | 8.2° | 13.2° |
| C17 | C16 | N15 | C51 | 20.3° | 31.9° |
| N15 | C16 | C17 | C18 | 2.8° | 1.3° |
| N15 | C16 | C17 | H8 | 177.2° | 178.9° |
| C16 | N15 | C51 | H37 | 143.0° | 76.2° |
| C16 | N15 | C51 | H38 | 97.1° | 163.5° |
| C16 | N15 | C51 | C50 | 23.0° | 43.7° |
| C17 | C18 | C19 | C50 | 179.3° | 178.9° |
| C17 | C18 | C19 | C20 | 179.6° | 179.4° |
| C17 | C18 | C50 | C49 | 179.8° | 179.0° |
| C18 | C17 | C16 | H7 | 177.2° | 179.0° |
| C17 | C18 | C19 | H9 | 0.4° | 0.6° |
| C17 | C18 | C50 | C51 | 0.7° | 2.1° |
| C18 | C19 | C20 | H9 | 180.0° | 180.0° |
| C18 | C19 | C20 | C48 | 0.1° | 0.4° |
| C18 | C19 | C20 | N21 | 179.5° | 179.7° |
| C19 | C18 | C50 | C49 | 0.4° | 2.1° |
| C19 | C18 | C17 | H8 | 7.5° | 12.3° |
| C19 | C18 | C50 | C51 | 179.9° | 176.9° |
| C50 | C18 | C19 | C20 | 0.3° | 1.7° |
| C18 | C50 | C49 | C48 | 0.3° | 1.1° |
| C18 | C50 | C49 | C51 | 179.4° | 178.9° |
| C18 | C50 | C51 | N15 | 13.9° | 28.0° |
| C50 | C18 | C17 | H8 | 171.8° | 166.6° |
| C50 | C18 | C19 | H9 | 179.7° | 178.3° |
| C18 | C50 | C49 | H35 | 179.7° | 178.9° |
| C18 | C50 | C51 | H37 | 134.0° | 91.9° |
| C18 | C50 | C51 | H38 | 106.1° | 147.9° |
| C19 | C20 | C48 | N21 | 179.6° | 179.9° |
| C19 | C20 | N21 | C22 | 111.1° | 36.7° |
| C19 | C20 | C48 | C49 | 0.0° | 0.6° |
| C19 | C20 | C48 | H34 | 180.0° | 179.4° |
| C19 | C20 | N21 | H40 | 68.8° | 143.3° |
| C48 | C20 | N21 | C22 | 68.5° | 143.4° |
| C20 | C48 | C49 | H34 | 180.0° | 180.0° |
| C20 | C48 | C49 | C50 | 0.1° | 0.2° |
| C48 | C20 | C19 | H9 | 179.9° | 179.6° |
| C20 | C48 | C49 | H35 | 179.9° | 179.8° |
| C48 | C20 | N21 | H40 | 111.5° | 36.6° |
| C20 | N21 | C22 | C24 | 179.2° | 175.3° |
| C20 | N21 | C22 | H40 | 180.0° | 180.0° |
| C20 | N21 | C22 | O23 | 1.2° | 4.6° |
| N21 | C20 | C48 | C49 | 179.6° | 179.4° |
| N21 | C20 | C19 | H9 | 0.5° | 0.3° |
| N21 | C20 | C48 | H34 | 0.4° | 0.7° |
| C24 | C22 | N21 | O23 | 178.0° | 179.9° |
| C22 | C24 | C25 | C47 | 179.1° | 179.7° |
| C22 | C24 | C25 | C26 | 179.5° | 179.9° |
| C22 | C24 | C47 | C46 | 179.4° | 179.8° |
| C22 | C24 | C25 | H14 | 0.5° | 0.1° |
| C22 | C24 | C47 | H33 | 0.6° | 0.0° |
| C24 | C22 | N21 | H40 | 0.8° | 4.6° |
| N21 | C22 | C24 | C25 | 147.0° | 180.0° |
| N21 | C22 | C24 | C47 | 32.0° | 0.3° |
| O23 | C22 | C24 | C25 | 31.0° | 0.1° |
| O23 | C22 | C24 | C47 | 149.9° | 179.8° |
| O23 | C22 | N21 | H40 | 178.8° | 175.4° |
| C09 | C07 | O08 | H10 | 119.5° | 120.0° |
| C09 | C07 | O08 | H11 | 119.5° | 120.0° |
| C07 | C09 | C10 | H1 | 57.2° | 60.1° |
| C07 | C09 | C10 | H2 | 63.2° | 60.0° |
| C09 | C07 | H10 | H11 | 121.4° | 120.0° |
| C07 | C09 | H12 | H13 | 119.5° | 120.0° |
| C09 | C07 | O08 | H42 | 180.0° | 180.0° |
| O08 | C07 | H10 | H11 | 121.4° | 120.1° |
| O08 | C07 | C09 | H12 | 106.0° | 60.0° |
| O08 | C07 | C09 | H13 | 13.7° | 60.0° |
| C24 | C25 | C26 | H14 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.1° |
| C25 | C24 | C47 | C46 | 0.4° | 0.6° |
| C24 | C25 | C26 | H15 | 179.7° | 179.9° |
| C25 | C24 | C47 | H33 | 179.7° | 179.7° |
| C47 | C24 | C25 | C26 | 0.5° | 0.2° |
| C24 | C47 | C46 | C27 | 0.1° | 0.6° |
| C24 | C47 | C46 | H33 | 180.0° | 179.8° |
| C47 | C24 | C25 | H14 | 179.5° | 179.7° |
| C24 | C47 | C46 | H32 | 179.9° | 179.6° |
| C25 | C26 | C27 | H15 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 179.9° | 180.0° |
| C25 | C26 | C27 | C46 | 0.0° | 0.1° |
| C26 | C27 | C28 | C46 | 180.0° | 179.9° |
| C26 | C27 | C28 | N29 | 170.1° | 94.2° |
| C26 | C27 | C46 | C47 | 0.1° | 0.2° |
| C27 | C26 | C25 | H14 | 179.7° | 179.9° |
| C26 | C27 | C28 | H16 | 69.8° | 145.7° |
| C26 | C27 | C28 | H17 | 49.9° | 25.8° |
| C26 | C27 | C46 | H32 | 179.9° | 180.0° |
| C27 | C28 | N29 | H16 | 120.1° | 120.0° |
| C27 | C28 | N29 | H17 | 120.2° | 120.0° |
| C27 | C28 | N29 | C30 | 78.0° | 97.8° |
| C27 | C28 | N29 | C43 | 101.7° | 82.2° |
| C28 | C27 | C46 | C47 | 180.0° | 179.7° |
| C28 | C27 | C26 | H15 | 0.1° | 0.1° |
| C27 | C28 | H16 | H17 | 119.6° | 119.9° |
| C28 | C27 | C46 | H32 | 0.0° | 0.1° |
| C46 | C27 | C28 | N29 | 9.9° | 85.7° |
| C27 | C46 | C47 | H32 | 180.0° | 179.8° |
| C46 | C27 | C26 | H15 | 179.9° | 179.9° |
| C46 | C27 | C28 | H16 | 110.2° | 34.3° |
| C46 | C27 | C28 | H17 | 130.1° | 154.3° |
| C27 | C46 | C47 | H33 | 179.9° | 179.7° |
| C28 | N29 | C30 | C32 | 179.9° | 2.5° |
| C28 | N29 | C30 | C43 | 179.8° | 180.0° |
| C28 | N29 | C30 | O31 | 0.0° | 177.5° |
| C28 | N29 | C43 | C44 | 103.1° | 127.6° |
| C28 | N29 | C43 | C45 | 35.2° | 163.8° |
| N29 | C28 | H16 | H17 | 119.6° | 120.0° |
| C28 | N29 | C43 | H27 | 111.9° | 18.0° |
| C32 | C30 | N29 | O31 | 179.9° | 180.0° |
| C30 | C32 | C33 | C42 | 179.5° | 179.8° |
| C30 | C32 | C33 | C34 | 179.4° | 180.0° |
| C32 | C30 | N29 | C43 | 0.1° | 177.5° |
| C30 | C32 | C33 | H19 | 0.6° | 0.0° |
| C30 | C32 | C42 | H24 | 0.3° | 0.0° |
| C30 | C32 | C42 | C41 | 179.7° | 179.7° |
| N29 | C30 | C32 | C33 | 114.4° | 56.3° |
| N29 | C30 | C32 | C42 | 66.0° | 123.9° |
| C30 | N29 | C43 | C44 | 77.1° | 52.4° |
| C30 | N29 | C43 | C45 | 145.1° | 16.2° |
| C30 | N29 | C28 | H16 | 161.8° | 22.2° |
| C30 | N29 | C28 | H17 | 42.1° | 142.2° |
| C30 | N29 | C43 | H27 | 67.8° | 162.0° |
| O31 | C30 | C32 | C33 | 65.7° | 123.7° |
| O31 | C30 | C32 | C42 | 113.9° | 56.1° |
| O31 | C30 | N29 | C43 | 179.7° | 2.5° |
| C32 | C33 | C34 | H19 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.5° | 0.0° |
| C32 | C33 | C34 | H20 | 179.5° | 179.9° |
| C33 | C32 | C42 | H24 | 179.8° | 179.8° |
| C33 | C32 | C42 | C41 | 0.2° | 0.5° |
| C42 | C32 | C33 | C34 | 0.1° | 0.2° |
| C32 | C42 | C41 | C35 | 0.2° | 0.6° |
| C32 | C42 | C41 | O40 | 179.8° | 179.7° |
| C42 | C32 | C33 | H19 | 179.8° | 179.8° |
| C32 | C42 | H24 | C41 | 180.0° | 179.7° |
| C33 | C34 | C35 | H20 | 180.0° | 180.0° |
| C33 | C34 | C35 | C41 | 0.4° | 0.1° |
| C33 | C34 | C35 | N36 | 179.8° | 179.9° |
| C34 | C35 | C41 | N36 | 179.5° | 180.0° |
| C34 | C35 | N36 | C37 | 172.9° | 164.5° |
| C34 | C35 | C41 | O40 | 179.6° | 179.9° |
| C35 | C34 | C33 | H19 | 179.5° | 180.0° |
| C34 | C35 | N36 | H41 | 7.1° | 15.4° |
| C34 | C35 | C41 | C42 | 0.0° | 0.4° |
| C41 | C35 | N36 | C37 | 6.5° | 15.5° |
| C35 | C41 | O40 | C39 | 16.0° | 32.8° |
| C35 | C41 | O40 | C42 | 179.6° | 179.7° |
| C41 | C35 | C34 | H20 | 179.6° | 180.0° |
| C35 | C41 | C42 | H24 | 179.8° | 179.7° |
| C41 | C35 | N36 | H41 | 173.5° | 164.5° |
| C35 | N36 | C37 | C39 | 0.4° | 1.7° |
| C35 | N36 | C37 | H41 | 180.0° | 180.0° |
| C35 | N36 | C37 | O38 | 179.5° | 178.4° |
| N36 | C35 | C41 | O40 | 0.1° | 0.1° |
| N36 | C35 | C34 | H20 | 0.2° | 0.1° |
| N36 | C35 | C41 | C42 | 179.5° | 179.6° |
| C39 | C37 | N36 | O38 | 179.9° | 179.9° |
| C37 | C39 | O40 | H21 | 121.9° | 120.0° |
| C37 | C39 | O40 | H22 | 122.0° | 120.0° |
| C37 | C39 | O40 | C41 | 24.5° | 46.3° |
| C37 | C39 | H21 | H22 | 113.6° | 119.9° |
| C39 | C37 | N36 | H41 | 179.6° | 178.3° |
| N36 | C37 | C39 | O40 | 14.4° | 31.3° |
| N36 | C37 | C39 | H21 | 136.3° | 88.7° |
| N36 | C37 | C39 | H22 | 107.6° | 151.4° |
| O38 | C37 | C39 | O40 | 165.7° | 148.7° |
| O38 | C37 | C39 | H21 | 43.8° | 91.2° |
| O38 | C37 | C39 | H22 | 72.3° | 28.7° |
| O38 | C37 | N36 | H41 | 0.5° | 1.6° |
| O40 | C39 | H21 | H22 | 113.6° | 120.0° |
| C39 | O40 | C41 | C42 | 163.6° | 147.5° |
| C41 | O40 | C39 | H21 | 146.5° | 73.7° |
| C41 | O40 | C39 | H22 | 97.4° | 166.4° |
| O40 | C41 | C42 | H24 | 0.2° | 0.0° |
| C44 | C43 | C45 | N29 | 105.5° | 107.5° |
| C44 | C43 | C45 | H27 | 107.0° | 107.5° |
| C44 | C43 | N29 | H27 | 144.9° | 145.6° |
| C43 | C44 | C45 | H28 | 109.4° | 107.5° |
| C43 | C44 | C45 | H29 | 109.4° | 107.5° |
| C43 | C44 | H28 | H29 | 144.9° | 145.7° |
| C44 | C43 | C45 | H30 | 109.5° | 107.5° |
| C44 | C43 | C45 | H31 | 109.5° | 107.5° |
| C45 | C43 | N29 | H27 | 147.1° | 145.8° |
| C43 | C45 | H30 | H31 | 144.7° | 145.7° |
| C43 | N29 | C28 | H16 | 18.4° | 157.8° |
| C43 | N29 | C28 | H17 | 138.1° | 37.8° |
| N29 | C43 | C44 | H28 | 1.8° | 0.0° |
| N29 | C43 | C44 | H29 | 143.0° | 145.0° |
| N29 | C43 | C45 | H30 | 145.0° | 145.0° |
| N29 | C43 | C45 | H31 | 4.0° | 0.0° |
| C45 | C44 | H28 | H29 | 144.8° | 145.7° |
| C44 | C45 | H30 | H31 | 144.7° | 145.7° |
| C48 | C49 | C50 | H35 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 179.8° | 177.8° |
| C49 | C50 | C51 | N15 | 165.5° | 153.1° |
| C50 | C49 | C48 | H34 | 179.9° | 179.8° |
| C49 | C50 | C51 | H37 | 45.4° | 87.0° |
| C49 | C50 | C51 | H38 | 74.5° | 33.2° |
| C51 | N15 | C16 | H7 | 159.7° | 148.4° |
| N15 | C51 | H37 | H38 | 119.9° | 120.3° |
| N15 | C51 | H37 | C50 | 120.2° | 119.6° |
| N15 | C51 | H38 | C50 | 120.2° | 119.6° |
| H1 | C10 | C11 | H3 | 10.5° | 60.0° |
| H1 | C10 | C11 | H4 | 130.5° | 180.0° |
| H1 | C10 | C09 | H12 | 177.3° | 180.0° |
| H1 | C10 | C09 | H13 | 63.0° | 59.9° |
| H2 | C10 | C11 | H3 | 130.8° | 180.0° |
| H2 | C10 | C11 | H4 | 109.2° | 60.0° |
| H2 | C10 | C09 | H12 | 57.0° | 59.9° |
| H2 | C10 | C09 | H13 | 176.7° | 179.9° |
| H3 | C11 | C12 | H5 | 105.0° | 179.9° |
| H3 | C11 | C12 | H6 | 14.9° | 59.9° |
| H4 | C11 | C12 | H5 | 135.0° | 60.0° |
| H4 | C11 | C12 | H6 | 105.0° | 180.0° |
| H7 | C16 | C17 | H8 | 2.8° | 0.8° |
| H10 | C07 | C09 | H12 | 134.5° | 179.9° |
| H10 | C07 | C09 | H13 | 105.8° | 60.1° |
| H10 | C07 | O08 | H42 | 60.4° | 60.0° |
| H11 | C07 | C09 | H12 | 13.6° | 60.0° |
| H11 | C07 | C09 | H13 | 133.3° | 180.0° |
| H11 | C07 | O08 | H42 | 60.5° | 60.0° |
| H14 | C25 | C26 | H15 | 0.4° | 0.1° |
| H19 | C33 | C34 | H20 | 0.5° | 0.0° |
| H27 | C43 | C44 | H28 | 143.6° | 145.0° |
| H27 | C43 | C44 | H29 | 2.3° | 0.0° |
| H27 | C43 | C45 | H30 | 2.5° | 0.1° |
| H27 | C43 | C45 | H31 | 143.5° | 145.0° |
| H28 | C44 | C45 | H30 | 141.1° | 145.0° |
| H28 | C44 | C45 | H31 | 0.1° | 0.0° |
| H29 | C44 | C45 | H30 | 0.0° | 0.0° |
| H29 | C44 | C45 | H31 | 141.1° | 145.0° |
| H32 | C46 | C47 | H33 | 0.1° | 0.1° |
| H34 | C48 | C49 | H35 | 0.1° | 0.2° |
| H35 | C49 | C50 | C51 | 0.2° | 2.2° |
| H37 | C51 | H38 | C50 | 119.9° | 120.1° |
