Q73
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C | sing | 1.43Å | 1.43Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C | C4 | sing | 1.53Å | 1.52Å | |
| C1 | C8 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C5 | sing | 1.51Å | 1.51Å | |
| C2 | O | sing | 1.43Å | 1.42Å | |
| C5 | C6 | doub | 1.31Å | 1.33Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| O | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | N | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| N1 | C25 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | doub | 1.33Å | 1.31Å | |
| C11 | C12 | sing | 1.47Å | 1.44Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C23 | O2 | sing | 1.43Å | 1.44Å | |
| O4 | C27 | doub | 1.21Å | 1.25Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | doub | 1.33Å | 1.34Å | |
| C22 | C21 | doub | 1.33Å | 1.30Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C21 | C19 | sing | 1.47Å | 1.48Å | |
| C27 | O3 | sing | 1.34Å | 1.25Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C13 | C15 | sing | 1.51Å | 1.51Å | |
| C17 | C19 | doub | 1.33Å | 1.32Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| N1 | H6 | sing | 1.01Å | 1.00Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.08Å | 1.08Å | |
| C11 | H28 | sing | 1.08Å | 1.08Å | |
| C10 | H29 | sing | 1.08Å | 1.08Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| N | H31 | sing | 1.01Å | 1.00Å | |
| N | H32 | sing | 1.01Å | 1.00Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C2 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.08Å | 1.08Å | |
| C6 | H37 | sing | 1.08Å | 1.08Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C | H45 | sing | 1.09Å | 1.10Å | |
| O1 | H46 | sing | 0.97Å | 0.95Å | |
| C4 | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | C1 | 109.4° | 109.5° |
| O1 | C | C4 | 108.5° | 109.5° |
| O1 | C | H45 | 109.8° | 109.6° |
| C | O1 | H46 | 109.5° | 114.0° |
| C1 | C | C4 | 112.1° | 109.0° |
| C | C1 | C8 | 111.0° | 109.5° |
| C | C1 | C2 | 109.1° | 109.2° |
| C | C1 | H41 | 108.4° | 109.5° |
| C1 | C | H45 | 108.4° | 109.6° |
| C | C4 | C3 | 109.5° | 109.2° |
| C4 | C | H45 | 108.5° | 109.5° |
| C | C4 | H47 | 109.5° | 109.5° |
| C | C4 | H48 | 109.5° | 109.5° |
| C8 | C1 | C2 | 111.6° | 109.5° |
| C8 | C1 | H41 | 108.3° | 109.5° |
| C1 | C8 | H42 | 109.5° | 109.4° |
| C1 | C8 | H43 | 109.4° | 109.4° |
| C1 | C8 | H44 | 109.5° | 109.4° |
| C1 | C2 | C5 | 112.3° | 109.5° |
| C1 | C2 | O | 107.6° | 109.4° |
| C1 | C2 | H35 | 108.6° | 109.5° |
| C2 | C1 | H41 | 108.4° | 109.6° |
| C5 | C2 | O | 109.5° | 109.5° |
| C2 | C5 | C6 | 119.1° | 120.0° |
| C5 | C2 | H35 | 108.9° | 109.5° |
| C2 | C5 | H36 | 120.5° | 120.0° |
| C2 | O | C3 | 111.7° | 114.1° |
| O | C2 | H35 | 110.0° | 109.5° |
| C5 | C6 | C7 | 120.2° | 120.0° |
| C6 | C5 | H36 | 120.5° | 120.0° |
| C5 | C6 | H37 | 119.9° | 120.0° |
| C4 | C3 | O | 110.9° | 109.4° |
| C4 | C3 | C9 | 114.2° | 109.5° |
| C4 | C3 | H34 | 107.8° | 109.5° |
| C3 | C4 | H47 | 109.4° | 109.5° |
| C3 | C4 | H48 | 109.4° | 109.5° |
| C7 | C6 | H37 | 119.9° | 120.0° |
| C6 | C7 | H38 | 109.5° | 109.5° |
| C6 | C7 | H39 | 109.5° | 109.4° |
| C6 | C7 | H40 | 109.4° | 109.5° |
| O | C3 | C9 | 106.5° | 109.5° |
| O | C3 | H34 | 109.3° | 109.5° |
| C3 | C9 | N | 111.6° | 109.4° |
| C3 | C9 | C10 | 109.6° | 109.5° |
| C3 | C9 | H30 | 108.2° | 109.4° |
| C9 | C3 | H34 | 108.0° | 109.5° |
| N | C9 | C10 | 110.1° | 109.5° |
| N | C9 | H30 | 108.9° | 109.5° |
| C9 | N | H31 | 109.5° | 111.0° |
| C9 | N | H32 | 109.4° | 111.0° |
| C9 | C10 | C11 | 119.8° | 120.0° |
| C9 | C10 | H29 | 120.1° | 120.0° |
| C10 | C9 | H30 | 108.4° | 109.5° |
| C18 | C16 | C17 | 107.3° | 109.5° |
| C18 | C16 | C15 | 115.6° | 109.5° |
| C18 | C16 | H18 | 108.1° | 109.5° |
| C16 | C18 | H19 | 109.5° | 109.5° |
| C16 | C18 | H20 | 109.4° | 109.5° |
| C16 | C18 | H21 | 109.5° | 109.5° |
| N1 | C25 | C24 | 109.9° | 109.5° |
| N1 | C25 | C26 | 111.5° | 109.4° |
| N1 | C25 | H4 | 108.4° | 109.4° |
| C25 | N1 | H5 | 109.5° | 111.0° |
| C25 | N1 | H6 | 109.5° | 111.0° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C10 | C11 | H28 | 119.7° | 119.9° |
| C11 | C10 | H29 | 120.1° | 120.0° |
| C11 | C12 | C13 | 119.1° | 120.0° |
| C11 | C12 | H27 | 120.5° | 120.0° |
| C12 | C11 | H28 | 119.7° | 120.1° |
| C24 | C25 | C26 | 111.2° | 109.5° |
| C25 | C24 | C23 | 112.1° | 109.5° |
| C24 | C25 | H4 | 107.9° | 109.5° |
| C25 | C24 | H8 | 108.8° | 109.5° |
| C25 | C24 | H9 | 108.8° | 109.4° |
| C25 | C26 | C27 | 107.5° | 109.5° |
| C25 | C26 | H2 | 110.0° | 109.5° |
| C25 | C26 | H3 | 110.0° | 109.4° |
| C26 | C25 | H4 | 107.8° | 109.5° |
| C24 | C23 | C22 | 106.0° | 109.5° |
| C24 | C23 | O2 | 109.5° | 109.5° |
| C23 | C24 | H8 | 108.8° | 109.5° |
| C23 | C24 | H9 | 108.8° | 109.5° |
| C24 | C23 | H10 | 109.2° | 109.5° |
| C22 | C23 | O2 | 112.6° | 109.4° |
| C23 | C22 | C21 | 118.8° | 120.0° |
| C22 | C23 | H10 | 109.2° | 109.4° |
| C23 | C22 | H12 | 120.6° | 120.0° |
| O2 | C23 | H10 | 110.2° | 109.5° |
| C23 | O2 | H11 | 109.5° | 114.0° |
| O4 | C27 | O3 | 123.3° | 120.0° |
| O4 | C27 | C26 | 118.4° | 120.0° |
| C17 | C16 | C15 | 109.4° | 109.5° |
| C16 | C17 | C19 | 118.8° | 120.0° |
| C16 | C17 | H17 | 120.6° | 120.0° |
| C17 | C16 | H18 | 108.2° | 109.5° |
| C16 | C15 | C13 | 108.3° | 109.5° |
| C15 | C16 | H18 | 108.0° | 109.4° |
| C16 | C15 | H22 | 109.7° | 109.5° |
| C16 | C15 | H23 | 109.8° | 109.4° |
| C12 | C13 | C14 | 121.6° | 120.0° |
| C12 | C13 | C15 | 119.1° | 120.0° |
| C13 | C12 | H27 | 120.4° | 120.0° |
| C22 | C21 | C19 | 123.7° | 120.0° |
| C21 | C22 | H12 | 120.6° | 120.0° |
| C22 | C21 | H13 | 118.2° | 120.0° |
| C14 | C13 | C15 | 119.3° | 120.0° |
| C13 | C14 | H24 | 109.5° | 109.5° |
| C13 | C14 | H25 | 109.4° | 109.4° |
| C13 | C14 | H26 | 109.5° | 109.5° |
| C21 | C19 | C17 | 112.8° | 120.0° |
| C21 | C19 | C20 | 127.3° | 120.0° |
| C19 | C21 | H13 | 118.2° | 120.0° |
| O3 | C27 | C26 | 118.2° | 120.0° |
| C27 | O3 | H1 | 109.5° | 116.9° |
| C27 | C26 | H2 | 110.0° | 109.5° |
| C27 | C26 | H3 | 110.0° | 109.5° |
| C13 | C15 | H22 | 109.7° | 109.5° |
| C13 | C15 | H23 | 109.8° | 109.5° |
| C17 | C19 | C20 | 119.9° | 120.0° |
| C19 | C17 | H17 | 120.6° | 120.0° |
| C19 | C20 | H14 | 109.5° | 109.5° |
| C19 | C20 | H15 | 109.4° | 109.5° |
| C19 | C20 | H16 | 109.5° | 109.4° |
| H2 | C26 | H3 | 109.5° | 109.5° |
| H5 | N1 | H6 | 109.5° | 111.0° |
| H8 | C24 | H9 | 109.4° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H16 | 109.4° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H21 | 109.5° | 109.4° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.4° | 109.5° |
| H24 | C14 | H26 | 109.4° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| H31 | N | H32 | 109.5° | 110.9° |
| H38 | C7 | H39 | 109.5° | 109.5° |
| H38 | C7 | H40 | 109.5° | 109.5° |
| H39 | C7 | H40 | 109.5° | 109.5° |
| H42 | C8 | H43 | 109.5° | 109.6° |
| H42 | C8 | H44 | 109.5° | 109.5° |
| H43 | C8 | H44 | 109.5° | 109.5° |
| H47 | C4 | H48 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | C1 | C4 | 120.5° | 119.8° |
| O1 | C | C1 | H45 | 119.7° | 120.3° |
| O1 | C | C4 | H45 | 119.3° | 120.2° |
| O1 | C | C1 | C8 | 169.1° | 177.2° |
| O1 | C | C1 | C2 | 67.5° | 62.9° |
| O1 | C | C4 | C3 | 72.6° | 62.9° |
| O1 | C | C1 | H41 | 50.3° | 57.1° |
| O1 | C | C4 | H47 | 47.4° | 177.2° |
| O1 | C | C4 | H48 | 167.4° | 57.0° |
| C1 | C | C4 | H45 | 119.7° | 119.9° |
| C | C1 | C8 | C2 | 121.9° | 119.7° |
| C | C1 | C8 | H41 | 118.8° | 120.1° |
| C | C1 | C2 | H41 | 117.8° | 120.0° |
| C | C1 | C2 | C5 | 179.1° | 177.6° |
| C | C1 | C2 | O | 60.4° | 57.6° |
| C1 | C | C4 | C3 | 48.4° | 56.9° |
| C | C1 | C2 | H35 | 58.6° | 62.4° |
| C | C1 | C8 | H42 | 180.0° | 59.7° |
| C | C1 | C8 | H43 | 60.0° | 60.3° |
| C | C1 | C8 | H44 | 60.0° | 179.7° |
| C1 | C | O1 | H46 | 180.0° | 180.0° |
| C1 | C | C4 | H47 | 168.4° | 62.9° |
| C1 | C | C4 | H48 | 71.6° | 176.9° |
| C4 | C | C1 | C8 | 70.4° | 63.0° |
| C4 | C | C1 | C2 | 53.0° | 57.0° |
| C | C4 | C3 | H47 | 120.0° | 119.9° |
| C | C4 | C3 | H48 | 120.0° | 119.9° |
| C | C4 | C3 | O | 52.6° | 57.6° |
| C | C4 | C3 | C9 | 173.1° | 177.6° |
| C | C4 | C3 | H34 | 67.0° | 62.4° |
| C4 | C | C1 | H41 | 170.8° | 176.9° |
| C4 | C | O1 | H46 | 57.4° | 60.5° |
| C | C4 | H47 | H48 | 120.0° | 120.1° |
| C8 | C1 | C2 | H41 | 119.2° | 120.1° |
| C8 | C1 | C2 | C5 | 57.9° | 57.7° |
| C8 | C1 | C2 | O | 62.6° | 62.3° |
| C8 | C1 | C2 | H35 | 178.4° | 177.7° |
| C1 | C8 | H42 | H43 | 120.0° | 120.0° |
| C1 | C8 | H42 | H44 | 120.0° | 119.9° |
| C1 | C8 | H43 | H44 | 120.0° | 119.9° |
| C8 | C1 | C | H45 | 49.4° | 56.9° |
| C1 | C2 | C5 | O | 119.4° | 120.0° |
| C1 | C2 | C5 | H35 | 120.3° | 120.0° |
| C1 | C2 | O | H35 | 118.1° | 120.0° |
| C1 | C2 | C5 | C6 | 116.6° | 120.0° |
| C1 | C2 | O | C3 | 67.7° | 61.1° |
| C1 | C2 | C5 | H36 | 63.3° | 59.9° |
| C2 | C1 | C8 | H42 | 58.1° | 60.0° |
| C2 | C1 | C8 | H43 | 62.0° | 180.0° |
| C2 | C1 | C8 | H44 | 178.1° | 60.0° |
| C2 | C1 | C | H45 | 172.8° | 176.9° |
| C5 | C2 | O | H35 | 119.6° | 120.0° |
| C2 | C5 | C6 | H36 | 180.0° | 179.9° |
| C2 | C5 | C6 | C7 | 179.9° | NaN° |
| C5 | C2 | O | C3 | 170.1° | 178.8° |
| C2 | C5 | C6 | H37 | 0.1° | 0.1° |
| C5 | C2 | C1 | H41 | 61.3° | 62.4° |
| O | C2 | C5 | C6 | 2.7° | 120.0° |
| C2 | O | C3 | C4 | 64.4° | 61.1° |
| C2 | O | C3 | C9 | 170.7° | 178.9° |
| C2 | O | C3 | H34 | 54.3° | 58.9° |
| O | C2 | C5 | H36 | 177.3° | 60.1° |
| O | C2 | C1 | H41 | 178.2° | 177.6° |
| C5 | C6 | C7 | H37 | 180.0° | 179.9° |
| C6 | C5 | C2 | H35 | 123.0° | 0.0° |
| C5 | C6 | C7 | H38 | 180.0° | 60.0° |
| C5 | C6 | C7 | H39 | 60.0° | 60.1° |
| C5 | C6 | C7 | H40 | 60.0° | 180.0° |
| C4 | C3 | O | C9 | 124.9° | 120.0° |
| C4 | C3 | O | H34 | 118.7° | 120.0° |
| C4 | C3 | C9 | H34 | 119.8° | 120.0° |
| C4 | C3 | C9 | N | 65.3° | 60.0° |
| C4 | C3 | C9 | C10 | 56.9° | 180.0° |
| C4 | C3 | C9 | H30 | 175.0° | 60.0° |
| C3 | C4 | C | H45 | 168.1° | 176.9° |
| C3 | C4 | H47 | H48 | 120.0° | 120.2° |
| C7 | C6 | C5 | H36 | 0.1° | 0.1° |
| C6 | C7 | H38 | H39 | 120.0° | 120.0° |
| C6 | C7 | H38 | H40 | 120.0° | 120.0° |
| C6 | C7 | H39 | H40 | 120.0° | 120.0° |
| O | C3 | C9 | H34 | 117.3° | 120.0° |
| O | C3 | C9 | N | 171.9° | 60.0° |
| O | C3 | C9 | C10 | 65.9° | 60.0° |
| O | C3 | C9 | H30 | 52.1° | 180.0° |
| C3 | O | C2 | H35 | 50.5° | 58.9° |
| O | C3 | C4 | H47 | 172.7° | 62.3° |
| O | C3 | C4 | H48 | 67.3° | 177.5° |
| C3 | C9 | N | C10 | 121.9° | 120.0° |
| C3 | C9 | N | H30 | 119.4° | 119.9° |
| C3 | C9 | C10 | H30 | 117.9° | 120.0° |
| C3 | C9 | C10 | C11 | 108.7° | 125.0° |
| C3 | C9 | C10 | H29 | 71.3° | 55.0° |
| C3 | C9 | N | H31 | 180.0° | 60.0° |
| C3 | C9 | N | H32 | 60.0° | 176.1° |
| C9 | C3 | C4 | H47 | 66.9° | 57.7° |
| C9 | C3 | C4 | H48 | 53.1° | 62.5° |
| N | C9 | C10 | H30 | 119.0° | 120.1° |
| N | C9 | C10 | C11 | 14.4° | 115.0° |
| N | C9 | C10 | H29 | 165.6° | 65.0° |
| C9 | N | H31 | H32 | 120.0° | 123.9° |
| N | C9 | C3 | H34 | 54.5° | 180.0° |
| C9 | C10 | C11 | H29 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.2° | 180.0° |
| C9 | C10 | C11 | H28 | 0.8° | 0.0° |
| C10 | C9 | N | H31 | 58.1° | 59.9° |
| C10 | C9 | N | H32 | 178.1° | 63.9° |
| C10 | C9 | C3 | H34 | 176.7° | 60.0° |
| C18 | C16 | C17 | C15 | 126.2° | 120.0° |
| C18 | C16 | C17 | H18 | 116.4° | 120.0° |
| C18 | C16 | C15 | H18 | 121.2° | 120.0° |
| C18 | C16 | C15 | C13 | 54.5° | 65.0° |
| C18 | C16 | C17 | C19 | 125.3° | 113.9° |
| C18 | C16 | C17 | H17 | 54.7° | 66.1° |
| C16 | C18 | H19 | H20 | 120.0° | 120.1° |
| C16 | C18 | H19 | H21 | 120.0° | 120.0° |
| C16 | C18 | H20 | H21 | 120.0° | 120.0° |
| C18 | C16 | C15 | H22 | 174.3° | 175.0° |
| C18 | C16 | C15 | H23 | 65.3° | 55.0° |
| N1 | C25 | C24 | C26 | 124.0° | 120.0° |
| N1 | C25 | C24 | H4 | 118.1° | 120.0° |
| N1 | C25 | C26 | H4 | 118.9° | 120.0° |
| N1 | C25 | C24 | C23 | 14.1° | 65.0° |
| N1 | C25 | C26 | C27 | 84.5° | 65.0° |
| N1 | C25 | C26 | H2 | 155.8° | 55.0° |
| N1 | C25 | C26 | H3 | 35.2° | 175.0° |
| C25 | N1 | H5 | H6 | 120.0° | 123.9° |
| N1 | C25 | C24 | H8 | 134.5° | 55.0° |
| N1 | C25 | C24 | H9 | 106.3° | 175.0° |
| C10 | C11 | C12 | H28 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C10 | C11 | C12 | H27 | 0.3° | 0.0° |
| C11 | C10 | C9 | H30 | 133.4° | 5.0° |
| C11 | C12 | C13 | H27 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | C15 | 179.0° | 180.0° |
| C12 | C11 | C10 | H29 | 0.8° | 0.0° |
| C24 | C25 | C26 | H4 | 118.0° | 120.1° |
| C25 | C24 | C23 | H8 | 120.4° | 120.0° |
| C25 | C24 | C23 | H9 | 120.4° | 120.0° |
| C25 | C24 | C23 | C22 | 165.7° | 175.0° |
| C25 | C24 | C23 | O2 | 44.1° | 65.0° |
| C24 | C25 | C26 | C27 | 152.4° | 175.0° |
| C24 | C25 | C26 | H2 | 32.7° | 65.0° |
| C24 | C25 | C26 | H3 | 87.9° | 55.0° |
| C24 | C25 | N1 | H5 | 180.0° | 60.0° |
| C24 | C25 | N1 | H6 | 60.0° | 63.9° |
| C25 | C24 | H8 | H9 | 118.8° | 120.0° |
| C25 | C24 | C23 | H10 | 76.7° | 55.0° |
| C26 | C25 | C24 | C23 | 109.8° | 175.0° |
| C25 | C26 | C27 | O4 | 71.7° | 0.0° |
| C25 | C26 | C27 | O3 | 107.9° | 179.7° |
| C25 | C26 | C27 | H2 | 119.7° | 120.0° |
| C25 | C26 | C27 | H3 | 119.7° | 120.0° |
| C25 | C26 | H2 | H3 | 120.9° | 120.0° |
| C26 | C25 | N1 | H5 | 56.2° | 60.0° |
| C26 | C25 | N1 | H6 | 63.8° | 176.0° |
| C26 | C25 | C24 | H8 | 10.5° | 65.0° |
| C26 | C25 | C24 | H9 | 129.7° | 55.0° |
| C24 | C23 | C22 | O2 | 119.7° | 120.0° |
| C24 | C23 | C22 | H10 | 117.6° | 120.0° |
| C24 | C23 | O2 | H10 | 120.1° | 120.1° |
| C24 | C23 | C22 | C21 | 167.5° | 120.0° |
| C23 | C24 | C25 | H4 | 132.2° | 55.0° |
| C23 | C24 | H8 | H9 | 118.8° | 120.0° |
| C24 | C23 | O2 | H11 | 180.0° | 60.0° |
| C24 | C23 | C22 | H12 | 12.5° | 60.0° |
| C22 | C23 | O2 | H10 | 122.2° | 119.9° |
| C23 | C22 | C21 | H12 | 180.0° | 180.0° |
| C23 | C22 | C21 | C19 | 178.2° | 180.0° |
| C22 | C23 | C24 | H8 | 45.3° | 65.0° |
| C22 | C23 | C24 | H9 | 73.8° | 55.0° |
| C22 | C23 | O2 | H11 | 62.3° | 60.0° |
| C23 | C22 | C21 | H13 | 1.8° | 0.0° |
| O2 | C23 | C22 | C21 | 47.8° | 120.0° |
| O2 | C23 | C24 | H8 | 76.3° | 55.0° |
| O2 | C23 | C24 | H9 | 164.5° | 175.0° |
| O2 | C23 | C22 | H12 | 132.2° | 60.0° |
| O4 | C27 | O3 | C26 | 179.5° | 179.7° |
| O4 | C27 | O3 | H1 | 0.0° | 0.0° |
| O4 | C27 | C26 | H2 | 168.6° | 120.0° |
| O4 | C27 | C26 | H3 | 48.0° | 120.0° |
| C17 | C16 | C15 | H18 | 117.5° | 120.0° |
| C16 | C17 | C19 | C21 | 1.9° | 6.1° |
| C17 | C16 | C15 | C13 | 175.8° | 175.0° |
| C16 | C17 | C19 | H17 | 180.0° | 180.0° |
| C16 | C17 | C19 | C20 | 179.5° | 173.9° |
| C17 | C16 | C18 | H19 | 180.0° | 60.0° |
| C17 | C16 | C18 | H20 | 60.0° | 180.0° |
| C17 | C16 | C18 | H21 | 60.0° | 60.0° |
| C17 | C16 | C15 | H22 | 64.4° | 55.0° |
| C17 | C16 | C15 | H23 | 56.0° | 65.0° |
| C16 | C15 | C13 | C12 | 96.6° | 95.0° |
| C16 | C15 | C13 | C14 | 82.1° | 85.0° |
| C16 | C15 | C13 | H22 | 119.8° | 120.0° |
| C16 | C15 | C13 | H23 | 119.8° | 120.0° |
| C15 | C16 | C17 | C19 | 108.6° | 126.1° |
| C15 | C16 | C17 | H17 | 71.4° | 54.0° |
| C15 | C16 | C18 | H19 | 57.7° | 180.0° |
| C15 | C16 | C18 | H20 | 62.3° | 60.0° |
| C15 | C16 | C18 | H21 | 177.7° | 60.0° |
| C16 | C15 | H22 | H23 | 120.5° | 120.0° |
| C12 | C13 | C14 | C15 | 178.7° | 180.0° |
| C12 | C13 | C15 | H22 | 143.6° | 25.0° |
| C12 | C13 | C15 | H23 | 23.2° | 145.0° |
| C12 | C13 | C14 | H24 | 180.0° | 90.0° |
| C12 | C13 | C14 | H25 | 60.0° | 30.0° |
| C12 | C13 | C14 | H26 | 60.0° | 150.0° |
| C13 | C12 | C11 | H28 | 0.2° | 0.0° |
| C22 | C21 | C19 | H13 | 180.0° | 180.0° |
| C22 | C21 | C19 | C17 | 161.3° | 174.8° |
| C22 | C21 | C19 | C20 | 16.1° | 5.2° |
| C21 | C22 | C23 | H10 | 74.9° | 0.0° |
| C14 | C13 | C15 | H22 | 37.7° | 155.0° |
| C14 | C13 | C15 | H23 | 158.0° | 35.0° |
| C13 | C14 | H24 | H25 | 120.0° | 120.0° |
| C13 | C14 | H24 | H26 | 120.0° | 120.0° |
| C13 | C14 | H25 | H26 | 120.0° | 120.0° |
| C14 | C13 | C12 | H27 | 179.7° | 180.0° |
| C21 | C19 | C17 | C20 | 177.6° | 180.0° |
| C19 | C21 | C22 | H12 | 1.8° | 0.0° |
| C21 | C19 | C20 | H14 | 180.0° | 90.0° |
| C21 | C19 | C20 | H15 | 60.0° | 150.0° |
| C21 | C19 | C20 | H16 | 60.0° | 30.0° |
| C21 | C19 | C17 | H17 | 178.1° | 173.9° |
| O3 | C27 | C26 | H2 | 11.8° | 60.3° |
| O3 | C27 | C26 | H3 | 132.4° | 59.7° |
| C26 | C27 | O3 | H1 | 179.5° | 179.7° |
| C27 | C26 | H2 | H3 | 120.9° | 120.0° |
| C27 | C26 | C25 | H4 | 34.3° | 54.9° |
| C13 | C15 | C16 | H18 | 66.7° | 55.0° |
| C13 | C15 | H22 | H23 | 120.5° | 120.0° |
| C15 | C13 | C14 | H24 | 1.3° | 90.0° |
| C15 | C13 | C14 | H25 | 121.3° | 150.0° |
| C15 | C13 | C14 | H26 | 118.7° | 30.0° |
| C15 | C13 | C12 | H27 | 1.0° | 0.0° |
| C17 | C19 | C21 | H13 | 18.7° | 5.2° |
| C17 | C19 | C20 | H14 | 2.8° | 90.0° |
| C17 | C19 | C20 | H15 | 122.8° | 30.0° |
| C17 | C19 | C20 | H16 | 117.2° | 150.0° |
| C19 | C17 | C16 | H18 | 8.8° | 6.1° |
| C20 | C19 | C21 | H13 | 163.9° | 174.8° |
| C19 | C20 | H14 | H15 | 120.0° | 120.0° |
| C19 | C20 | H14 | H16 | 120.0° | 120.0° |
| C19 | C20 | H15 | H16 | 120.0° | 120.0° |
| C20 | C19 | C17 | H17 | 0.5° | 6.2° |
| H2 | C26 | C25 | H4 | 85.3° | 175.0° |
| H3 | C26 | C25 | H4 | 154.0° | 65.0° |
| H4 | C25 | N1 | H5 | 62.3° | 180.0° |
| H4 | C25 | N1 | H6 | 177.8° | 56.1° |
| H4 | C25 | C24 | H8 | 107.4° | 175.0° |
| H4 | C25 | C24 | H9 | 11.8° | 65.0° |
| H8 | C24 | C23 | H10 | 162.9° | 175.0° |
| H9 | C24 | C23 | H10 | 43.8° | 65.0° |
| H10 | C23 | O2 | H11 | 59.9° | 180.0° |
| H10 | C23 | C22 | H12 | 105.1° | 180.0° |
| H12 | C22 | C21 | H13 | 178.2° | 180.0° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
| H17 | C17 | C16 | H18 | 171.2° | 173.9° |
| H18 | C16 | C18 | H19 | 63.5° | 60.1° |
| H18 | C16 | C18 | H20 | 176.5° | 60.0° |
| H18 | C16 | C18 | H21 | 56.5° | 180.0° |
| H18 | C16 | C15 | H22 | 53.1° | 65.0° |
| H18 | C16 | C15 | H23 | 173.5° | 175.0° |
| H19 | C18 | H20 | H21 | 120.0° | 119.9° |
| H24 | C14 | H25 | H26 | 120.0° | 120.0° |
| H27 | C12 | C11 | H28 | 179.7° | 180.0° |
| H28 | C11 | C10 | H29 | 179.2° | 180.0° |
| H29 | C10 | C9 | H30 | 46.6° | 175.0° |
| H30 | C9 | N | H31 | 60.6° | 180.0° |
| H30 | C9 | N | H32 | 59.4° | 56.2° |
| H30 | C9 | C3 | H34 | 65.2° | 60.0° |
| H34 | C3 | C4 | H47 | 53.0° | 177.7° |
| H34 | C3 | C4 | H48 | 173.0° | 57.5° |
| H35 | C2 | C5 | H36 | 57.0° | 180.0° |
| H35 | C2 | C1 | H41 | 59.2° | 57.6° |
| H36 | C5 | C6 | H37 | 179.9° | 180.0° |
| H37 | C6 | C7 | H38 | 0.0° | 120.0° |
| H37 | C6 | C7 | H39 | 120.0° | 120.0° |
| H37 | C6 | C7 | H40 | 120.0° | 0.0° |
| H38 | C7 | H39 | H40 | 120.0° | 120.0° |
| H41 | C1 | C8 | H42 | 61.2° | 179.9° |
| H41 | C1 | C8 | H43 | 178.8° | 59.8° |
| H41 | C1 | C8 | H44 | 58.9° | 60.1° |
| H41 | C1 | C | H45 | 69.4° | 63.2° |
| H42 | C8 | H43 | H44 | 120.0° | 120.1° |
| H45 | C | O1 | H46 | 61.1° | 59.7° |
| H45 | C | C4 | H47 | 71.9° | 57.0° |
| H45 | C | C4 | H48 | 48.1° | 63.2° |
