MKM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.50Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.68Å | |
| C7 | C4 | doub | 1.30Å | 1.68Å | |
| C15 | C16 | sing | 1.55Å | 1.56Å | |
| C15 | C11 | sing | 1.53Å | 1.64Å | |
| C16 | C17 | sing | 1.52Å | 1.76Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | N | sing | 1.47Å | 1.48Å | |
| C11 | C9 | sing | 1.52Å | 1.53Å | |
| C11 | C12 | sing | 1.55Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.52Å | 1.57Å | |
| C4 | C5 | sing | 1.50Å | 1.52Å | |
| N | C21 | sing | 1.47Å | 1.49Å | |
| N | C24 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C17 | C12 | sing | 1.50Å | 1.70Å | |
| C17 | O2 | doub | 1.21Å | 1.19Å | |
| C20 | O1 | sing | 1.43Å | 1.44Å | |
| C10 | C5 | sing | 1.52Å | 1.65Å | |
| C10 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | C19 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.52Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C5 | C18 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | O1 | sing | 1.43Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.45Å | |
| C13 | C14 | sing | 1.54Å | 1.64Å | |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.08Å | 1.08Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 114.5° | 109.2° |
| C8 | C7 | C4 | 118.0° | 123.0° |
| C8 | C7 | H40 | 121.0° | 118.5° |
| C7 | C8 | H42 | 108.2° | 109.5° |
| C7 | C8 | H43 | 108.2° | 109.5° |
| C8 | C9 | C11 | 110.4° | 109.5° |
| C8 | C9 | C10 | 111.2° | 108.2° |
| C9 | C8 | H42 | 108.2° | 109.5° |
| C9 | C8 | H43 | 108.2° | 109.5° |
| C8 | C9 | H44 | 106.2° | 110.3° |
| C7 | C4 | C3 | 122.5° | 118.3° |
| C7 | C4 | C5 | 118.2° | 123.9° |
| C4 | C7 | H40 | 121.0° | 118.5° |
| C16 | C15 | C11 | 104.8° | 102.5° |
| C15 | C16 | C17 | 103.6° | 106.6° |
| C16 | C15 | H10 | 110.6° | 110.8° |
| C16 | C15 | H11 | 110.6° | 110.8° |
| C15 | C16 | H12 | 110.9° | 110.0° |
| C15 | C16 | H13 | 110.9° | 110.0° |
| C15 | C11 | C9 | 121.3° | 115.5° |
| C15 | C11 | C12 | 104.4° | 101.2° |
| C15 | C11 | H5 | 104.5° | 111.3° |
| C11 | C15 | H10 | 110.6° | 110.8° |
| C11 | C15 | H11 | 110.6° | 110.8° |
| C16 | C17 | C12 | 103.2° | 106.0° |
| C16 | C17 | O2 | 128.0° | 127.0° |
| C17 | C16 | H12 | 110.9° | 110.1° |
| C17 | C16 | H13 | 110.9° | 110.0° |
| C23 | C22 | N | 111.5° | 109.5° |
| C23 | C22 | H25 | 109.0° | 109.5° |
| C23 | C22 | H26 | 109.0° | 109.5° |
| C22 | C23 | H27 | 109.5° | 109.5° |
| C22 | C23 | H28 | 109.4° | 109.5° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | N | C21 | 109.5° | 111.0° |
| C22 | N | C24 | 111.1° | 111.0° |
| N | C22 | H25 | 109.0° | 109.5° |
| N | C22 | H26 | 109.0° | 109.4° |
| C9 | C11 | C12 | 114.4° | 107.2° |
| C11 | C9 | C10 | 113.2° | 107.6° |
| C9 | C11 | H5 | 105.6° | 110.5° |
| C11 | C9 | H44 | 107.8° | 110.2° |
| C11 | C12 | C17 | 104.1° | 103.6° |
| C11 | C12 | C19 | 107.2° | 109.7° |
| C11 | C12 | C13 | 112.8° | 107.2° |
| C12 | C11 | H5 | 105.3° | 110.6° |
| C9 | C10 | C5 | 109.6° | 110.5° |
| C9 | C10 | C14 | 112.5° | 111.9° |
| C9 | C10 | H4 | 108.6° | 107.9° |
| C10 | C9 | H44 | 107.8° | 111.0° |
| C3 | C4 | C5 | 108.4° | 117.8° |
| C4 | C3 | C2 | 110.8° | 108.4° |
| C4 | C3 | H35 | 109.1° | 109.7° |
| C4 | C3 | H36 | 109.1° | 109.7° |
| C4 | C5 | C10 | 109.7° | 113.3° |
| C4 | C5 | C18 | 108.1° | 108.2° |
| C4 | C5 | C6 | 113.9° | 109.4° |
| C21 | N | C24 | 108.5° | 111.0° |
| N | C21 | C20 | 108.6° | 109.4° |
| N | C21 | H23 | 109.7° | 109.5° |
| N | C21 | H24 | 109.7° | 109.5° |
| N | C24 | C25 | 110.7° | 109.5° |
| N | C24 | H30 | 109.2° | 109.5° |
| N | C24 | H31 | 109.2° | 109.5° |
| C21 | C20 | O1 | 109.5° | 109.4° |
| C21 | C20 | H21 | 109.5° | 109.5° |
| C21 | C20 | H22 | 109.5° | 109.5° |
| C20 | C21 | H23 | 109.7° | 109.4° |
| C20 | C21 | H24 | 109.7° | 109.4° |
| C3 | C2 | O1 | 109.0° | 109.5° |
| C3 | C2 | C1 | 111.4° | 109.5° |
| C3 | C2 | H20 | 108.2° | 109.5° |
| C2 | C3 | H35 | 109.2° | 109.7° |
| C2 | C3 | H36 | 109.1° | 109.6° |
| C12 | C17 | O2 | 128.7° | 127.0° |
| C17 | C12 | C19 | 104.4° | 109.7° |
| C17 | C12 | C13 | 122.0° | 116.7° |
| C20 | O1 | C2 | 113.2° | 114.0° |
| O1 | C20 | H21 | 109.5° | 109.5° |
| O1 | C20 | H22 | 109.5° | 109.4° |
| C5 | C10 | C14 | 110.1° | 109.7° |
| C10 | C5 | C18 | 107.2° | 108.2° |
| C10 | C5 | C6 | 109.8° | 110.0° |
| C5 | C10 | H4 | 107.2° | 108.4° |
| C10 | C14 | C13 | 111.7° | 111.7° |
| C14 | C10 | H4 | 108.8° | 108.4° |
| C10 | C14 | H8 | 108.9° | 109.0° |
| C10 | C14 | H9 | 108.9° | 109.0° |
| C19 | C12 | C13 | 105.4° | 109.7° |
| C12 | C19 | H17 | 109.5° | 109.5° |
| C12 | C19 | H18 | 109.5° | 109.5° |
| C12 | C19 | H19 | 109.5° | 109.5° |
| C12 | C13 | C14 | 110.7° | 106.9° |
| C12 | C13 | H6 | 109.1° | 109.9° |
| C12 | C13 | H7 | 109.2° | 109.9° |
| C25 | C24 | H30 | 109.2° | 109.4° |
| C25 | C24 | H31 | 109.1° | 109.5° |
| C24 | C25 | H32 | 109.5° | 109.5° |
| C24 | C25 | H33 | 109.5° | 109.5° |
| C24 | C25 | H34 | 109.5° | 109.5° |
| C18 | C5 | C6 | 107.9° | 107.6° |
| C5 | C18 | H14 | 109.5° | 109.5° |
| C5 | C18 | H15 | 109.4° | 109.4° |
| C5 | C18 | H16 | 109.4° | 109.4° |
| C5 | C6 | C1 | 113.3° | 109.4° |
| C5 | C6 | H38 | 108.5° | 109.5° |
| C5 | C6 | H39 | 108.5° | 109.5° |
| O1 | C2 | C1 | 109.4° | 109.5° |
| O1 | C2 | H20 | 109.3° | 109.4° |
| C2 | C1 | C6 | 111.8° | 109.7° |
| C2 | C1 | H2 | 108.9° | 109.5° |
| C2 | C1 | H3 | 108.9° | 109.4° |
| C1 | C2 | H20 | 109.4° | 109.5° |
| C14 | C13 | H6 | 109.2° | 109.9° |
| C14 | C13 | H7 | 109.2° | 110.2° |
| C13 | C14 | H8 | 108.9° | 109.0° |
| C13 | C14 | H9 | 108.9° | 109.1° |
| C6 | C1 | H2 | 108.9° | 109.4° |
| C6 | C1 | H3 | 108.9° | 109.4° |
| C1 | C6 | H38 | 108.5° | 109.4° |
| C1 | C6 | H39 | 108.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H6 | C13 | H7 | 109.5° | 110.0° |
| H8 | C14 | H9 | 109.5° | 109.0° |
| H10 | C15 | H11 | 109.5° | 110.8° |
| H12 | C16 | H13 | 109.5° | 110.0° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.4° | 109.4° |
| H21 | C20 | H22 | 109.4° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.4° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | H29 | 109.5° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.4° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H34 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.4° | 109.5° |
| H35 | C3 | H36 | 109.5° | 109.7° |
| H38 | C6 | H39 | 109.4° | 109.5° |
| H42 | C8 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H42 | 120.8° | 119.9° |
| C7 | C8 | C9 | H43 | 120.7° | 120.0° |
| C8 | C7 | C4 | H40 | 180.0° | 180.0° |
| C7 | C8 | C9 | C11 | 170.5° | 173.0° |
| C7 | C8 | C9 | C10 | 44.1° | 56.0° |
| C8 | C7 | C4 | C3 | 162.2° | 179.6° |
| C8 | C7 | C4 | C5 | 22.3° | 0.6° |
| C7 | C8 | H42 | H43 | 117.7° | 120.1° |
| C7 | C8 | C9 | H44 | 72.9° | 65.5° |
| C9 | C8 | C7 | C4 | 21.4° | 26.4° |
| C8 | C9 | C11 | C15 | 61.5° | 66.8° |
| C8 | C9 | C11 | C10 | 125.3° | 117.4° |
| C8 | C9 | C11 | H44 | 115.6° | 121.5° |
| C8 | C9 | C11 | C12 | 171.9° | 178.7° |
| C8 | C9 | C10 | H44 | 116.0° | 121.1° |
| C8 | C9 | C10 | C5 | 64.5° | 62.8° |
| C8 | C9 | C10 | C14 | 172.8° | 174.7° |
| C8 | C9 | C10 | H4 | 52.3° | 55.6° |
| C8 | C9 | C11 | H5 | 56.7° | 60.7° |
| C9 | C8 | C7 | H40 | 158.6° | 153.6° |
| C9 | C8 | H42 | H43 | 117.7° | 120.1° |
| C7 | C4 | C3 | C5 | 143.3° | 179.8° |
| C7 | C4 | C3 | C2 | 160.9° | 128.6° |
| C7 | C4 | C5 | C10 | 40.6° | 5.8° |
| C7 | C4 | C5 | C18 | 76.0° | 114.2° |
| C7 | C4 | C5 | C6 | 164.1° | 128.9° |
| C7 | C4 | C3 | H35 | 40.7° | 111.6° |
| C7 | C4 | C3 | H36 | 78.9° | 8.9° |
| C4 | C7 | C8 | H42 | 142.2° | 146.4° |
| C4 | C7 | C8 | H43 | 99.3° | 93.5° |
| C16 | C15 | C11 | H10 | 119.2° | 118.3° |
| C16 | C15 | C11 | H11 | 119.2° | 118.3° |
| C15 | C16 | C17 | H12 | 119.1° | 119.3° |
| C15 | C16 | C17 | H13 | 119.1° | 119.3° |
| C16 | C15 | C11 | C9 | 177.7° | 156.1° |
| C16 | C15 | C11 | C12 | 46.7° | 40.7° |
| C15 | C16 | C17 | C12 | 9.1° | 4.0° |
| C15 | C16 | C17 | O2 | 170.7° | 176.0° |
| C16 | C15 | C11 | H5 | 63.6° | 76.8° |
| C16 | C15 | H10 | H11 | 122.2° | 123.5° |
| C15 | C16 | H12 | H13 | 122.7° | 121.4° |
| C11 | C15 | C16 | C17 | 32.3° | 23.4° |
| C15 | C11 | C9 | C12 | 126.5° | 111.9° |
| C15 | C11 | C9 | H5 | 118.2° | 127.5° |
| C15 | C11 | C12 | H5 | 109.7° | 118.1° |
| C15 | C11 | C9 | C10 | 173.1° | 175.8° |
| C15 | C11 | C12 | C17 | 38.9° | 44.2° |
| C15 | C11 | C12 | C19 | 71.3° | 72.8° |
| C15 | C11 | C12 | C13 | 173.1° | 168.2° |
| C11 | C15 | H10 | H11 | 122.2° | 123.4° |
| C11 | C15 | C16 | H12 | 151.3° | 142.8° |
| C11 | C15 | C16 | H13 | 86.8° | 95.9° |
| C15 | C11 | C9 | H44 | 54.1° | 54.6° |
| C16 | C17 | C12 | C11 | 18.7° | 29.7° |
| C16 | C17 | C12 | O2 | 179.8° | 180.0° |
| C16 | C17 | C12 | C19 | 93.6° | 87.3° |
| C16 | C17 | C12 | C13 | 147.5° | 147.2° |
| C17 | C16 | C15 | H10 | 151.5° | 94.8° |
| C17 | C16 | C15 | H11 | 87.0° | 141.7° |
| C17 | C16 | H12 | H13 | 122.7° | 121.4° |
| C23 | C22 | N | H25 | 120.3° | 120.1° |
| C23 | C22 | N | H26 | 120.3° | 120.0° |
| C23 | C22 | N | C21 | 179.9° | 170.1° |
| C23 | C22 | N | C24 | 60.1° | 66.0° |
| C23 | C22 | H25 | H26 | 119.1° | 120.0° |
| C22 | C23 | H27 | H28 | 120.0° | 120.1° |
| C22 | C23 | H27 | H29 | 120.0° | 120.0° |
| C22 | C23 | H28 | H29 | 120.0° | 120.0° |
| C22 | N | C21 | C24 | 121.4° | 123.9° |
| C22 | N | C21 | C20 | 164.1° | 72.1° |
| C22 | N | C24 | C25 | 121.4° | 160.3° |
| C22 | N | C21 | H23 | 44.2° | 167.9° |
| C22 | N | C21 | H24 | 76.0° | 47.9° |
| N | C22 | H25 | H26 | 119.1° | 119.9° |
| N | C22 | C23 | H27 | 180.0° | 180.0° |
| N | C22 | C23 | H28 | 60.0° | 59.9° |
| N | C22 | C23 | H29 | 60.0° | 60.0° |
| C22 | N | C24 | H30 | 118.4° | 40.3° |
| C22 | N | C24 | H31 | 1.2° | 79.8° |
| C9 | C11 | C12 | H5 | 115.4° | 120.5° |
| C11 | C9 | C10 | H44 | 119.1° | 120.7° |
| C9 | C11 | C12 | C17 | 173.7° | 165.6° |
| C11 | C9 | C10 | C5 | 170.6° | 179.0° |
| C11 | C9 | C10 | C14 | 47.9° | 56.5° |
| C9 | C11 | C12 | C19 | 63.5° | 48.6° |
| C9 | C11 | C12 | C13 | 52.1° | 70.4° |
| C11 | C9 | C10 | H4 | 72.6° | 62.7° |
| C9 | C11 | C15 | H10 | 63.1° | 37.9° |
| C9 | C11 | C15 | H11 | 58.4° | 85.6° |
| C11 | C9 | C8 | H42 | 68.7° | 67.1° |
| C11 | C9 | C8 | H43 | 49.8° | 53.0° |
| C12 | C11 | C9 | C10 | 46.6° | 63.9° |
| C11 | C12 | C17 | C19 | 112.3° | 117.0° |
| C11 | C12 | C17 | C13 | 128.8° | 117.5° |
| C11 | C12 | C17 | O2 | 161.5° | 150.3° |
| C11 | C12 | C19 | C13 | 120.4° | 117.4° |
| C11 | C12 | C13 | C14 | 54.4° | 65.1° |
| C11 | C12 | C13 | H6 | 174.6° | 175.7° |
| C11 | C12 | C13 | H7 | 65.8° | 54.5° |
| C12 | C11 | C15 | H10 | 166.0° | 77.5° |
| C12 | C11 | C15 | H11 | 72.5° | 159.0° |
| C11 | C12 | C19 | H17 | 180.0° | 60.0° |
| C11 | C12 | C19 | H18 | 60.0° | 180.0° |
| C11 | C12 | C19 | H19 | 60.0° | 60.0° |
| C12 | C11 | C9 | H44 | 72.5° | 57.2° |
| C9 | C10 | C5 | C4 | 63.4° | 36.9° |
| C9 | C10 | C5 | C14 | 124.2° | 123.8° |
| C9 | C10 | C5 | H4 | 117.6° | 118.1° |
| C9 | C10 | C14 | H4 | 120.3° | 118.9° |
| C9 | C10 | C5 | C18 | 53.8° | 83.1° |
| C9 | C10 | C5 | C6 | 170.7° | 159.7° |
| C9 | C10 | C14 | C13 | 51.3° | 53.9° |
| C10 | C9 | C11 | H5 | 68.6° | 56.7° |
| C9 | C10 | C14 | H8 | 171.6° | 174.4° |
| C9 | C10 | C14 | H9 | 69.0° | 66.8° |
| C10 | C9 | C8 | H42 | 164.8° | 176.0° |
| C10 | C9 | C8 | H43 | 76.7° | 63.9° |
| C4 | C3 | C2 | H35 | 120.2° | 119.8° |
| C4 | C3 | C2 | H36 | 120.2° | 119.7° |
| C3 | C4 | C5 | C10 | 174.3° | 174.4° |
| C3 | C4 | C5 | C18 | 69.1° | 65.6° |
| C3 | C4 | C5 | C6 | 50.8° | 51.3° |
| C4 | C3 | C2 | O1 | 178.6° | 175.2° |
| C4 | C3 | C2 | C1 | 60.6° | 55.2° |
| C4 | C3 | C2 | H20 | 59.8° | 64.8° |
| C4 | C3 | H35 | H36 | 119.4° | 120.6° |
| C3 | C4 | C7 | H40 | 17.7° | 0.3° |
| C5 | C4 | C3 | C2 | 55.8° | 51.6° |
| C4 | C5 | C10 | C18 | 117.2° | 120.0° |
| C4 | C5 | C10 | C6 | 125.9° | 122.8° |
| C4 | C5 | C10 | C14 | 172.5° | 160.7° |
| C4 | C5 | C18 | C6 | 123.6° | 118.1° |
| C4 | C5 | C6 | C1 | 49.2° | 54.3° |
| C4 | C5 | C10 | H4 | 54.3° | 81.2° |
| C4 | C5 | C18 | H14 | 180.0° | 176.9° |
| C4 | C5 | C18 | H15 | 60.0° | 56.9° |
| C4 | C5 | C18 | H16 | 60.0° | 63.1° |
| C5 | C4 | C3 | H35 | 176.0° | 68.2° |
| C5 | C4 | C3 | H36 | 64.4° | 171.2° |
| C4 | C5 | C6 | H38 | 169.8° | 65.6° |
| C4 | C5 | C6 | H39 | 71.3° | 174.3° |
| C5 | C4 | C7 | H40 | 157.7° | 179.5° |
| N | C21 | C20 | H23 | 119.9° | 120.0° |
| N | C21 | C20 | H24 | 119.9° | 120.0° |
| N | C21 | C20 | O1 | 136.7° | 65.7° |
| C21 | N | C24 | C25 | 118.2° | 75.8° |
| N | C21 | C20 | H21 | 16.7° | 174.3° |
| N | C21 | C20 | H22 | 103.2° | 54.3° |
| N | C21 | H23 | H24 | 120.4° | 120.1° |
| C21 | N | C22 | H25 | 59.8° | 50.0° |
| C21 | N | C22 | H26 | 59.6° | 69.9° |
| C21 | N | C24 | H30 | 2.0° | 164.3° |
| C21 | N | C24 | H31 | 121.6° | 44.2° |
| C24 | N | C21 | C20 | 74.5° | 164.0° |
| N | C24 | C25 | H30 | 120.2° | 120.0° |
| N | C24 | C25 | H31 | 120.2° | 120.0° |
| C24 | N | C21 | H23 | 165.7° | 44.0° |
| C24 | N | C21 | H24 | 45.4° | 76.1° |
| C24 | N | C22 | H25 | 179.6° | 173.9° |
| C24 | N | C22 | H26 | 60.2° | 54.0° |
| N | C24 | H30 | H31 | 119.4° | 120.0° |
| N | C24 | C25 | H32 | 180.0° | 55.8° |
| N | C24 | C25 | H33 | 60.0° | 64.2° |
| N | C24 | C25 | H34 | 60.0° | 175.8° |
| C21 | C20 | O1 | H21 | 120.0° | 120.0° |
| C21 | C20 | O1 | H22 | 120.0° | 120.0° |
| C21 | C20 | O1 | C2 | 113.0° | 175.2° |
| C21 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C21 | H23 | H24 | 120.4° | 120.0° |
| C3 | C2 | O1 | C20 | 40.1° | 90.0° |
| C3 | C2 | O1 | C1 | 122.1° | 120.0° |
| C3 | C2 | O1 | H20 | 118.1° | 120.0° |
| C3 | C2 | C1 | H20 | 119.7° | 120.0° |
| C3 | C2 | C1 | C6 | 57.0° | 63.7° |
| C3 | C2 | C1 | H2 | 177.3° | 176.2° |
| C3 | C2 | C1 | H3 | 63.4° | 56.3° |
| C2 | C3 | H35 | H36 | 119.4° | 120.5° |
| C17 | C12 | C19 | C13 | 129.6° | 129.4° |
| C17 | C12 | C13 | C14 | 179.3° | 179.5° |
| C17 | C12 | C11 | H5 | 70.8° | 73.8° |
| C17 | C12 | C13 | H6 | 60.5° | 60.2° |
| C17 | C12 | C13 | H7 | 59.1° | 60.9° |
| C12 | C17 | C16 | H12 | 128.1° | 115.3° |
| C12 | C17 | C16 | H13 | 110.0° | 123.3° |
| C17 | C12 | C19 | H17 | 70.0° | 53.2° |
| C17 | C12 | C19 | H18 | 170.0° | 66.9° |
| C17 | C12 | C19 | H19 | 50.0° | 173.1° |
| O2 | C17 | C12 | C19 | 86.2° | 92.7° |
| O2 | C17 | C12 | C13 | 32.7° | 32.8° |
| O2 | C17 | C16 | H12 | 51.7° | 64.7° |
| O2 | C17 | C16 | H13 | 70.2° | 56.7° |
| C20 | O1 | C2 | C1 | 162.2° | 150.0° |
| C20 | O1 | C2 | H20 | 78.0° | 30.0° |
| O1 | C20 | H21 | H22 | 120.0° | 120.0° |
| O1 | C20 | C21 | H23 | 103.4° | 54.4° |
| O1 | C20 | C21 | H24 | 16.8° | 174.4° |
| C5 | C10 | C14 | H4 | 117.2° | 118.1° |
| C10 | C5 | C18 | C6 | 118.2° | 118.8° |
| C5 | C10 | C14 | C13 | 173.8° | 176.9° |
| C10 | C5 | C6 | C1 | 172.7° | 179.4° |
| C5 | C10 | C14 | H8 | 65.9° | 62.6° |
| C5 | C10 | C14 | H9 | 53.4° | 56.2° |
| C10 | C5 | C18 | H14 | 61.8° | 60.0° |
| C10 | C5 | C18 | H15 | 178.2° | 180.0° |
| C10 | C5 | C18 | H16 | 58.2° | 60.0° |
| C10 | C5 | C6 | H38 | 66.7° | 59.5° |
| C10 | C5 | C6 | H39 | 52.2° | 60.6° |
| C5 | C10 | C9 | H44 | 51.5° | 58.4° |
| C10 | C14 | C13 | C12 | 56.0° | 57.5° |
| C14 | C10 | C5 | C18 | 70.4° | 40.7° |
| C14 | C10 | C5 | C6 | 46.6° | 76.5° |
| C10 | C14 | C13 | H8 | 120.3° | 120.5° |
| C10 | C14 | C13 | H9 | 120.3° | 120.6° |
| C10 | C14 | C13 | H6 | 176.2° | 176.8° |
| C10 | C14 | C13 | H7 | 64.2° | 61.9° |
| C10 | C14 | H8 | H9 | 119.0° | 118.9° |
| C14 | C10 | C9 | H44 | 71.2° | 64.2° |
| C19 | C12 | C13 | C14 | 62.2° | 54.0° |
| C19 | C12 | C11 | H5 | 178.9° | 169.1° |
| C19 | C12 | C13 | H6 | 58.0° | 65.3° |
| C19 | C12 | C13 | H7 | 177.6° | 173.6° |
| C12 | C19 | H17 | H18 | 120.0° | 120.1° |
| C12 | C19 | H17 | H19 | 120.0° | 120.0° |
| C12 | C19 | H18 | H19 | 120.0° | 120.0° |
| C12 | C13 | C14 | H6 | 120.2° | 119.3° |
| C12 | C13 | C14 | H7 | 120.2° | 119.4° |
| C13 | C12 | C11 | H5 | 63.4° | 50.1° |
| C12 | C13 | H6 | H7 | 119.4° | 121.1° |
| C12 | C13 | C14 | H8 | 176.3° | 178.0° |
| C12 | C13 | C14 | H9 | 64.3° | 63.1° |
| C13 | C12 | C19 | H17 | 59.6° | 177.4° |
| C13 | C12 | C19 | H18 | 60.4° | 62.5° |
| C13 | C12 | C19 | H19 | 179.6° | 57.5° |
| C25 | C24 | H30 | H31 | 119.4° | 120.0° |
| C24 | C25 | H32 | H33 | 120.0° | 120.0° |
| C24 | C25 | H32 | H34 | 120.0° | 120.0° |
| C24 | C25 | H33 | H34 | 120.0° | 120.0° |
| C18 | C5 | C6 | C1 | 70.8° | 63.0° |
| C18 | C5 | C10 | H4 | 171.4° | 158.8° |
| C5 | C18 | H14 | H15 | 120.0° | 120.0° |
| C5 | C18 | H14 | H16 | 120.0° | 119.9° |
| C5 | C18 | H15 | H16 | 119.9° | 120.0° |
| C18 | C5 | C6 | H38 | 49.8° | 177.1° |
| C18 | C5 | C6 | H39 | 168.6° | 57.0° |
| C5 | C6 | C1 | C2 | 51.2° | 62.8° |
| C5 | C6 | C1 | H38 | 120.6° | 119.9° |
| C5 | C6 | C1 | H39 | 120.6° | 120.0° |
| C5 | C6 | C1 | H2 | 171.5° | 177.1° |
| C5 | C6 | C1 | H3 | 69.2° | 57.2° |
| C6 | C5 | C10 | H4 | 71.6° | 41.6° |
| C6 | C5 | C18 | H14 | 56.4° | 58.8° |
| C6 | C5 | C18 | H15 | 63.6° | 61.2° |
| C6 | C5 | C18 | H16 | 176.4° | 178.8° |
| C5 | C6 | H38 | H39 | 118.3° | 120.1° |
| O1 | C2 | C1 | H20 | 119.8° | 119.9° |
| O1 | C2 | C1 | C6 | 177.5° | 176.3° |
| O1 | C2 | C1 | H2 | 62.1° | 56.2° |
| O1 | C2 | C1 | H3 | 57.2° | 63.7° |
| C2 | O1 | C20 | H21 | 126.9° | 64.8° |
| C2 | O1 | C20 | H22 | 7.0° | 55.2° |
| O1 | C2 | C3 | H35 | 58.4° | 55.5° |
| O1 | C2 | C3 | H36 | 61.3° | 65.0° |
| C2 | C1 | C6 | H2 | 120.3° | 120.1° |
| C2 | C1 | C6 | H3 | 120.4° | 120.0° |
| C2 | C1 | H2 | H3 | 118.9° | 119.9° |
| C1 | C2 | C3 | H35 | 179.2° | 64.5° |
| C1 | C2 | C3 | H36 | 59.6° | 175.0° |
| C2 | C1 | C6 | H38 | 171.8° | 57.1° |
| C2 | C1 | C6 | H39 | 69.4° | 177.2° |
| C13 | C14 | C10 | H4 | 69.0° | 65.0° |
| C14 | C13 | H6 | H7 | 119.5° | 121.5° |
| C13 | C14 | H8 | H9 | 119.0° | 119.0° |
| C6 | C1 | H2 | H3 | 118.9° | 119.8° |
| C6 | C1 | C2 | H20 | 62.7° | 56.3° |
| C1 | C6 | H38 | H39 | 118.2° | 120.0° |
| H2 | C1 | C2 | H20 | 57.6° | 63.8° |
| H2 | C1 | C6 | H38 | 67.9° | 63.0° |
| H2 | C1 | C6 | H39 | 50.9° | 57.1° |
| H3 | C1 | C2 | H20 | 176.9° | 176.3° |
| H3 | C1 | C6 | H38 | 51.4° | 177.2° |
| H3 | C1 | C6 | H39 | 170.2° | 62.8° |
| H4 | C10 | C14 | H8 | 51.3° | 55.5° |
| H4 | C10 | C14 | H9 | 170.7° | 174.4° |
| H4 | C10 | C9 | H44 | 168.3° | 176.7° |
| H5 | C11 | C15 | H10 | 55.7° | 164.9° |
| H5 | C11 | C15 | H11 | 177.2° | 41.4° |
| H5 | C11 | C9 | H44 | 172.3° | 177.9° |
| H6 | C13 | C14 | H8 | 63.5° | 62.7° |
| H6 | C13 | C14 | H9 | 55.8° | 56.2° |
| H7 | C13 | C14 | H8 | 56.1° | 58.6° |
| H7 | C13 | C14 | H9 | 175.5° | 177.5° |
| H10 | C15 | C16 | H12 | 89.4° | 24.5° |
| H10 | C15 | C16 | H13 | 32.4° | 145.8° |
| H11 | C15 | C16 | H12 | 32.1° | 99.0° |
| H11 | C15 | C16 | H13 | 154.0° | 22.4° |
| H14 | C18 | H15 | H16 | 120.0° | 120.1° |
| H17 | C19 | H18 | H19 | 120.0° | 119.9° |
| H20 | C2 | C3 | H35 | 60.4° | 175.4° |
| H20 | C2 | C3 | H36 | 180.0° | 54.9° |
| H21 | C20 | C21 | H23 | 136.6° | 65.7° |
| H21 | C20 | C21 | H24 | 103.2° | 54.4° |
| H22 | C20 | C21 | H23 | 16.6° | 174.3° |
| H22 | C20 | C21 | H24 | 136.9° | 65.7° |
| H25 | C22 | C23 | H27 | 59.7° | 59.9° |
| H25 | C22 | C23 | H28 | 60.3° | 180.0° |
| H25 | C22 | C23 | H29 | 179.7° | 60.1° |
| H26 | C22 | C23 | H27 | 59.7° | 60.0° |
| H26 | C22 | C23 | H28 | 179.7° | 60.1° |
| H26 | C22 | C23 | H29 | 60.3° | NaN° |
| H27 | C23 | H28 | H29 | 120.0° | 119.9° |
| H30 | C24 | C25 | H32 | 59.8° | 175.8° |
| H30 | C24 | C25 | H33 | 179.8° | 55.8° |
| H30 | C24 | C25 | H34 | 60.2° | 64.2° |
| H31 | C24 | C25 | H32 | 59.9° | 64.2° |
| H31 | C24 | C25 | H33 | 60.2° | 175.8° |
| H31 | C24 | C25 | H34 | 179.9° | 55.8° |
| H32 | C25 | H33 | H34 | 120.0° | 120.0° |
| H40 | C7 | C8 | H42 | 37.8° | 33.7° |
| H40 | C7 | C8 | H43 | 80.7° | 86.4° |
| H42 | C8 | C9 | H44 | 47.9° | 54.4° |
| H43 | C8 | C9 | H44 | 166.4° | 174.5° |
