MI8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C | sing | 1.43Å | 1.45Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C8 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C5 | sing | 1.51Å | 1.53Å | |
| C2 | O | sing | 1.43Å | 1.43Å | |
| C5 | C6 | doub | 1.31Å | 1.33Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| O | C3 | sing | 1.43Å | 1.45Å | |
| C3 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | N | sing | 1.47Å | 1.48Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | doub | 1.33Å | 1.33Å | |
| O2 | C23 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | doub | 1.33Å | 1.35Å | |
| C21 | C19 | sing | 1.47Å | 1.50Å | |
| N1 | C25 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | doub | 1.33Å | 1.35Å | |
| C19 | C17 | doub | 1.33Å | 1.36Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | C15 | sing | 1.51Å | 1.52Å | |
| O3 | C27 | doub | 1.21Å | 1.21Å | |
| C27 | O4 | sing | 1.34Å | 1.48Å | |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| O4 | C28 | sing | 1.45Å | 1.44Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.08Å | 1.08Å | |
| C11 | H38 | sing | 1.08Å | 1.08Å | |
| C10 | H39 | sing | 1.08Å | 1.08Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| N | H41 | sing | 1.01Å | 1.00Å | |
| N | H42 | sing | 1.01Å | 1.00Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C | H45 | sing | 1.09Å | 1.10Å | |
| O1 | H46 | sing | 0.97Å | 0.95Å | |
| C1 | H47 | sing | 1.09Å | 1.10Å | |
| C7 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H49 | sing | 1.09Å | 1.10Å | |
| C7 | H50 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | C1 | 110.5° | 109.6° |
| O1 | C | C4 | 107.7° | 109.5° |
| O1 | C | H45 | 109.7° | 109.6° |
| C | O1 | H46 | 109.5° | 114.0° |
| C1 | C | C4 | 111.7° | 109.1° |
| C | C1 | C8 | 112.7° | 109.6° |
| C | C1 | C2 | 109.6° | 109.1° |
| C1 | C | H45 | 108.5° | 109.5° |
| C | C1 | H47 | 107.3° | 109.5° |
| C | C4 | C3 | 110.4° | 109.1° |
| C | C4 | H5 | 109.2° | 109.6° |
| C | C4 | H6 | 109.2° | 109.6° |
| C4 | C | H45 | 108.7° | 109.5° |
| C8 | C1 | C2 | 112.4° | 109.5° |
| C1 | C8 | H9 | 109.5° | 109.5° |
| C1 | C8 | H10 | 109.4° | 109.5° |
| C1 | C8 | H11 | 109.5° | 109.4° |
| C8 | C1 | H47 | 107.3° | 109.6° |
| C1 | C2 | C5 | 112.3° | 109.5° |
| C1 | C2 | O | 108.3° | 109.4° |
| C1 | C2 | H4 | 106.8° | 109.5° |
| C2 | C1 | H47 | 107.2° | 109.5° |
| C5 | C2 | O | 114.1° | 109.5° |
| C2 | C5 | C6 | 122.9° | 120.0° |
| C5 | C2 | H4 | 106.9° | 109.5° |
| C2 | C5 | H7 | 118.5° | 120.0° |
| C2 | O | C3 | 111.8° | 114.1° |
| O | C2 | H4 | 108.2° | 109.5° |
| C5 | C6 | C7 | 120.3° | 120.0° |
| C6 | C5 | H7 | 118.6° | 120.0° |
| C5 | C6 | H8 | 119.9° | 120.1° |
| C4 | C3 | O | 108.4° | 109.4° |
| C4 | C3 | C9 | 111.7° | 109.5° |
| C3 | C4 | H5 | 109.2° | 109.5° |
| C3 | C4 | H6 | 109.2° | 109.5° |
| C4 | C3 | H44 | 108.0° | 109.5° |
| C7 | C6 | H8 | 119.8° | 120.0° |
| C6 | C7 | H48 | 109.5° | 109.5° |
| C6 | C7 | H49 | 109.5° | 109.5° |
| C6 | C7 | H50 | 109.5° | 109.5° |
| O | C3 | C9 | 111.6° | 109.5° |
| O | C3 | H44 | 109.1° | 109.5° |
| C3 | C9 | C10 | 110.7° | 109.5° |
| C3 | C9 | N | 109.4° | 109.5° |
| C3 | C9 | H40 | 109.2° | 109.5° |
| C9 | C3 | H44 | 107.9° | 109.5° |
| C10 | C9 | N | 107.8° | 109.5° |
| C9 | C10 | C11 | 122.7° | 120.0° |
| C9 | C10 | H39 | 118.6° | 119.9° |
| C10 | C9 | H40 | 109.5° | 109.4° |
| N | C9 | H40 | 110.1° | 109.5° |
| C9 | N | H41 | 109.5° | 111.0° |
| C9 | N | H42 | 109.5° | 111.1° |
| C18 | C16 | C17 | 108.9° | 109.5° |
| C18 | C16 | C15 | 110.0° | 109.5° |
| C18 | C16 | H28 | 107.9° | 109.5° |
| C16 | C18 | H29 | 109.5° | 109.5° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| C10 | C11 | C12 | 119.8° | 120.0° |
| C10 | C11 | H38 | 120.1° | 120.0° |
| C11 | C10 | H39 | 118.7° | 120.0° |
| O2 | C23 | C22 | 108.4° | 109.5° |
| O2 | C23 | C24 | 105.7° | 109.5° |
| O2 | C23 | H20 | 111.0° | 109.5° |
| C23 | O2 | H21 | 109.5° | 114.0° |
| C11 | C12 | C13 | 121.6° | 120.0° |
| C11 | C12 | H37 | 119.2° | 120.0° |
| C12 | C11 | H38 | 120.1° | 120.0° |
| C22 | C23 | C24 | 113.1° | 109.5° |
| C23 | C22 | C21 | 123.8° | 120.0° |
| C22 | C23 | H20 | 109.5° | 109.5° |
| C23 | C22 | H22 | 118.1° | 120.0° |
| C23 | C24 | C25 | 116.3° | 109.5° |
| C23 | C24 | H18 | 107.7° | 109.5° |
| C23 | C24 | H19 | 107.8° | 109.5° |
| C24 | C23 | H20 | 109.2° | 109.4° |
| C17 | C16 | C15 | 114.0° | 109.5° |
| C16 | C17 | C19 | 125.3° | 120.0° |
| C16 | C17 | H27 | 117.4° | 120.0° |
| C17 | C16 | H28 | 108.1° | 109.5° |
| C16 | C15 | C13 | 105.7° | 109.5° |
| C15 | C16 | H28 | 107.9° | 109.4° |
| C16 | C15 | H32 | 110.4° | 109.4° |
| C16 | C15 | H33 | 110.4° | 109.5° |
| C22 | C21 | C19 | 123.3° | 120.0° |
| C21 | C22 | H22 | 118.1° | 120.0° |
| C22 | C21 | H23 | 118.3° | 120.0° |
| C21 | C19 | C17 | 125.4° | 120.0° |
| C21 | C19 | C20 | 122.3° | 120.0° |
| C19 | C21 | H23 | 118.4° | 120.0° |
| N1 | C25 | C24 | 106.2° | 109.5° |
| N1 | C25 | C26 | 108.9° | 109.5° |
| C25 | N1 | H1 | 109.5° | 111.0° |
| C25 | N1 | H2 | 109.5° | 111.0° |
| N1 | C25 | H17 | 109.8° | 109.5° |
| C12 | C13 | C14 | 121.5° | 120.0° |
| C12 | C13 | C15 | 119.3° | 120.0° |
| C13 | C12 | H37 | 119.2° | 120.1° |
| C17 | C19 | C20 | 112.2° | 120.0° |
| C19 | C17 | H27 | 117.4° | 120.0° |
| C19 | C20 | H24 | 109.5° | 109.4° |
| C19 | C20 | H25 | 109.5° | 109.4° |
| C19 | C20 | H26 | 109.5° | 109.4° |
| C24 | C25 | C26 | 114.3° | 109.5° |
| C24 | C25 | H17 | 108.8° | 109.5° |
| C25 | C24 | H18 | 107.8° | 109.5° |
| C25 | C24 | H19 | 107.7° | 109.5° |
| C25 | C26 | C27 | 116.3° | 109.5° |
| C25 | C26 | H15 | 107.8° | 109.5° |
| C25 | C26 | H16 | 107.7° | 109.5° |
| C26 | C25 | H17 | 108.8° | 109.4° |
| C14 | C13 | C15 | 119.2° | 120.0° |
| C13 | C14 | H34 | 109.5° | 109.5° |
| C13 | C14 | H35 | 109.5° | 109.5° |
| C13 | C14 | H36 | 109.5° | 109.5° |
| C13 | C15 | H32 | 110.4° | 109.5° |
| C13 | C15 | H33 | 110.4° | 109.5° |
| O3 | C27 | O4 | 115.3° | 120.0° |
| O3 | C27 | C26 | 119.2° | 120.0° |
| O4 | C27 | C26 | 125.5° | 120.0° |
| C27 | O4 | C28 | 121.8° | 117.0° |
| C27 | C26 | H15 | 107.8° | 109.4° |
| C27 | C26 | H16 | 107.8° | 109.4° |
| O4 | C28 | H12 | 109.5° | 109.5° |
| O4 | C28 | H13 | 109.5° | 109.5° |
| O4 | C28 | H14 | 109.5° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H11 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C28 | H13 | 109.5° | 109.5° |
| H12 | C28 | H14 | 109.5° | 109.4° |
| H13 | C28 | H14 | 109.5° | 109.4° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H24 | C20 | H25 | 109.4° | 109.5° |
| H24 | C20 | H26 | 109.4° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H29 | C18 | H31 | 109.5° | 109.4° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H32 | C15 | H33 | 109.5° | 109.5° |
| H34 | C14 | H35 | 109.4° | 109.5° |
| H34 | C14 | H36 | 109.5° | 109.5° |
| H35 | C14 | H36 | 109.5° | 109.5° |
| H41 | N | H42 | 109.5° | 111.0° |
| H48 | C7 | H49 | 109.5° | 109.4° |
| H48 | C7 | H50 | 109.4° | 109.5° |
| H49 | C7 | H50 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | C1 | C4 | 119.9° | 119.9° |
| O1 | C | C1 | H45 | 120.3° | 120.3° |
| O1 | C | C4 | H45 | 118.8° | 120.2° |
| O1 | C | C1 | C8 | 165.0° | 177.2° |
| O1 | C | C1 | C2 | 69.0° | 62.9° |
| O1 | C | C4 | C3 | 70.5° | 62.9° |
| O1 | C | C4 | H5 | 49.6° | 177.2° |
| O1 | C | C4 | H6 | 169.4° | 57.0° |
| O1 | C | C1 | H47 | 47.1° | 57.0° |
| C1 | C | C4 | H45 | 119.7° | 119.8° |
| C | C1 | C8 | C2 | 124.5° | 119.7° |
| C | C1 | C8 | H47 | 117.9° | 120.2° |
| C | C1 | C2 | H47 | 116.2° | 119.9° |
| C | C1 | C2 | C5 | 176.0° | 177.6° |
| C | C1 | C2 | O | 57.1° | 57.6° |
| C1 | C | C4 | C3 | 51.0° | 57.0° |
| C | C1 | C2 | H4 | 59.1° | 62.4° |
| C1 | C | C4 | H5 | 171.2° | 62.9° |
| C1 | C | C4 | H6 | 69.1° | 177.0° |
| C | C1 | C8 | H9 | 180.0° | 60.0° |
| C | C1 | C8 | H10 | 60.0° | 180.0° |
| C | C1 | C8 | H11 | 60.0° | 60.0° |
| C1 | C | O1 | H46 | 180.0° | 180.0° |
| C4 | C | C1 | C8 | 75.1° | 62.9° |
| C4 | C | C1 | C2 | 50.9° | 57.0° |
| C | C4 | C3 | H5 | 120.2° | 119.9° |
| C | C4 | C3 | H6 | 120.1° | 120.0° |
| C | C4 | C3 | O | 56.6° | 57.6° |
| C | C4 | C3 | C9 | 179.9° | 177.6° |
| C | C4 | H5 | H6 | 119.6° | 120.2° |
| C | C4 | C3 | H44 | 61.5° | 62.4° |
| C4 | C | O1 | H46 | 57.7° | 60.4° |
| C4 | C | C1 | H47 | 167.0° | 176.9° |
| C8 | C1 | C2 | H47 | 117.6° | 120.2° |
| C8 | C1 | C2 | C5 | 57.8° | 57.7° |
| C8 | C1 | C2 | O | 69.1° | 62.3° |
| C8 | C1 | C2 | H4 | 174.7° | 177.7° |
| C1 | C8 | H9 | H10 | 120.0° | 120.0° |
| C1 | C8 | H9 | H11 | 120.0° | 120.0° |
| C1 | C8 | H10 | H11 | 120.0° | 119.9° |
| C8 | C1 | C | H45 | 44.7° | 56.9° |
| C1 | C2 | C5 | O | 123.7° | 119.9° |
| C1 | C2 | C5 | H4 | 116.8° | 120.0° |
| C1 | C2 | O | H4 | 115.3° | 120.0° |
| C1 | C2 | C5 | C6 | 120.6° | 120.0° |
| C1 | C2 | O | C3 | 66.6° | 61.2° |
| C1 | C2 | C5 | H7 | 59.4° | 59.9° |
| C2 | C1 | C8 | H9 | 55.5° | 179.7° |
| C2 | C1 | C8 | H10 | 64.5° | 60.3° |
| C2 | C1 | C8 | H11 | 175.5° | 59.7° |
| C2 | C1 | C | H45 | 170.7° | 176.9° |
| C5 | C2 | O | H4 | 118.8° | 120.0° |
| C2 | C5 | C6 | H7 | 180.0° | 179.9° |
| C2 | C5 | C6 | C7 | 179.2° | 180.0° |
| C5 | C2 | O | C3 | 167.5° | 178.8° |
| C2 | C5 | C6 | H8 | 0.8° | 0.0° |
| C5 | C2 | C1 | H47 | 59.8° | 62.5° |
| O | C2 | C5 | C6 | 3.1° | 120.0° |
| C2 | O | C3 | C4 | 66.4° | 61.2° |
| C2 | O | C3 | C9 | 170.2° | 178.8° |
| O | C2 | C5 | H7 | 176.9° | 60.0° |
| C2 | O | C3 | H44 | 51.1° | 58.8° |
| O | C2 | C1 | H47 | 173.3° | 177.6° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| C6 | C5 | C2 | H4 | 122.7° | 0.0° |
| C5 | C6 | C7 | H48 | 180.0° | 60.0° |
| C5 | C6 | C7 | H49 | 60.0° | 60.0° |
| C5 | C6 | C7 | H50 | 60.0° | 180.0° |
| C4 | C3 | O | C9 | 123.5° | 120.0° |
| C4 | C3 | O | H44 | 117.4° | 120.0° |
| C4 | C3 | C9 | H44 | 118.6° | 120.1° |
| C4 | C3 | C9 | C10 | 58.4° | 180.0° |
| C4 | C3 | C9 | N | 177.1° | 60.0° |
| C3 | C4 | H5 | H6 | 119.5° | 120.1° |
| C4 | C3 | C9 | H40 | 62.4° | 60.0° |
| C3 | C4 | C | H45 | 170.7° | 176.9° |
| C7 | C6 | C5 | H7 | 0.8° | 0.1° |
| C6 | C7 | H48 | H49 | 120.0° | 120.0° |
| C6 | C7 | H48 | H50 | 120.0° | 120.0° |
| C6 | C7 | H49 | H50 | 120.0° | 120.1° |
| O | C3 | C9 | H44 | 119.8° | 120.0° |
| O | C3 | C9 | C10 | 63.2° | 60.1° |
| O | C3 | C9 | N | 55.5° | 179.9° |
| C3 | O | C2 | H4 | 48.7° | 58.8° |
| O | C3 | C4 | H5 | 176.7° | 62.3° |
| O | C3 | C4 | H6 | 63.6° | 177.6° |
| O | C3 | C9 | H40 | 176.1° | 59.9° |
| C3 | C9 | C10 | N | 119.7° | 120.0° |
| C3 | C9 | C10 | H40 | 120.5° | 120.0° |
| C3 | C9 | N | H40 | 120.1° | 120.0° |
| C3 | C9 | C10 | C11 | 135.6° | 125.0° |
| C9 | C3 | C4 | H5 | 59.9° | 57.7° |
| C9 | C3 | C4 | H6 | 59.8° | 62.4° |
| C3 | C9 | C10 | H39 | 44.4° | 55.0° |
| C3 | C9 | N | H41 | 180.0° | 60.1° |
| C3 | C9 | N | H42 | 60.0° | 63.9° |
| C10 | C9 | N | H40 | 119.5° | 120.0° |
| C9 | C10 | C11 | H39 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 178.9° | 180.0° |
| C9 | C10 | C11 | H38 | 1.1° | 0.0° |
| C10 | C9 | N | H41 | 59.5° | 60.0° |
| C10 | C9 | N | H42 | 60.5° | 176.0° |
| C10 | C9 | C3 | H44 | 177.0° | 59.9° |
| N | C9 | C10 | C11 | 104.7° | 5.0° |
| N | C9 | C10 | H39 | 75.3° | 175.0° |
| C9 | N | H41 | H42 | 120.0° | 124.0° |
| N | C9 | C3 | H44 | 64.3° | 60.1° |
| C18 | C16 | C17 | C15 | 123.2° | 120.0° |
| C18 | C16 | C17 | H28 | 117.0° | 120.0° |
| C18 | C16 | C15 | H28 | 117.5° | 120.0° |
| C18 | C16 | C17 | C19 | 125.3° | 113.9° |
| C18 | C16 | C15 | C13 | 75.2° | 65.0° |
| C18 | C16 | C17 | H27 | 54.7° | 66.0° |
| C16 | C18 | H29 | H30 | 120.0° | 120.0° |
| C16 | C18 | H29 | H31 | 120.0° | 120.0° |
| C16 | C18 | H30 | H31 | 120.0° | 120.0° |
| C18 | C16 | C15 | H32 | 165.4° | 175.0° |
| C18 | C16 | C15 | H33 | 44.2° | 55.1° |
| C10 | C11 | C12 | H38 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 176.3° | 180.0° |
| C10 | C11 | C12 | H37 | 3.7° | 0.0° |
| C11 | C10 | C9 | H40 | 15.1° | 115.0° |
| O2 | C23 | C22 | C24 | 116.8° | 120.0° |
| O2 | C23 | C22 | H20 | 121.2° | 120.0° |
| O2 | C23 | C24 | H20 | 119.5° | 120.0° |
| O2 | C23 | C22 | C21 | 6.9° | 120.0° |
| O2 | C23 | C24 | C25 | 123.5° | 65.0° |
| O2 | C23 | C24 | H18 | 115.5° | 55.0° |
| O2 | C23 | C24 | H19 | 2.5° | 175.0° |
| O2 | C23 | C22 | H22 | 173.1° | 60.0° |
| C11 | C12 | C13 | H37 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.6° | 0.0° |
| C11 | C12 | C13 | C15 | 177.8° | 180.0° |
| C12 | C11 | C10 | H39 | 1.1° | 0.0° |
| C22 | C23 | C24 | H20 | 122.1° | 120.0° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C19 | 178.0° | 180.0° |
| C22 | C23 | C24 | C25 | 118.1° | 175.0° |
| C22 | C23 | C24 | H18 | 2.9° | 65.0° |
| C22 | C23 | C24 | H19 | 120.9° | 55.0° |
| C22 | C23 | O2 | H21 | 180.0° | 60.0° |
| C23 | C22 | C21 | H23 | 1.9° | 0.1° |
| C24 | C23 | C22 | C21 | 123.7° | 120.0° |
| C23 | C24 | C25 | N1 | 82.8° | 65.0° |
| C23 | C24 | C25 | H18 | 121.0° | 120.0° |
| C23 | C24 | C25 | H19 | 121.0° | 120.0° |
| C23 | C24 | C25 | C26 | 157.2° | 175.0° |
| C23 | C24 | C25 | H17 | 35.4° | 55.0° |
| C23 | C24 | H18 | H19 | 116.9° | 120.0° |
| C24 | C23 | O2 | H21 | 58.5° | 60.0° |
| C24 | C23 | C22 | H22 | 56.3° | 60.0° |
| C17 | C16 | C15 | H28 | 120.0° | 120.0° |
| C16 | C17 | C19 | C21 | 4.0° | 6.1° |
| C16 | C17 | C19 | H27 | 180.0° | 179.9° |
| C16 | C17 | C19 | C20 | 178.5° | 173.9° |
| C17 | C16 | C15 | C13 | 162.2° | 174.9° |
| C17 | C16 | C18 | H29 | 180.0° | 60.0° |
| C17 | C16 | C18 | H30 | 60.0° | 60.0° |
| C17 | C16 | C18 | H31 | 60.0° | 180.0° |
| C17 | C16 | C15 | H32 | 42.8° | 55.0° |
| C17 | C16 | C15 | H33 | 78.4° | 65.0° |
| C16 | C15 | C13 | C12 | 90.7° | 95.0° |
| C15 | C16 | C17 | C19 | 111.6° | 126.1° |
| C16 | C15 | C13 | C14 | 87.8° | 85.0° |
| C16 | C15 | C13 | H32 | 119.4° | 120.0° |
| C16 | C15 | C13 | H33 | 119.4° | 120.0° |
| C15 | C16 | C17 | H27 | 68.4° | 54.0° |
| C15 | C16 | C18 | H29 | 54.5° | 60.0° |
| C15 | C16 | C18 | H30 | 65.5° | 180.0° |
| C15 | C16 | C18 | H31 | 174.5° | 60.0° |
| C16 | C15 | H32 | H33 | 121.7° | 120.0° |
| C22 | C21 | C19 | H23 | 180.0° | 179.9° |
| C22 | C21 | C19 | C17 | 177.3° | 174.8° |
| C22 | C21 | C19 | C20 | 0.0° | 5.2° |
| C21 | C22 | C23 | H20 | 114.3° | 0.1° |
| C21 | C19 | C17 | C20 | 177.5° | 180.0° |
| C19 | C21 | C22 | H22 | 1.9° | 0.0° |
| C21 | C19 | C20 | H24 | 180.0° | 90.0° |
| C21 | C19 | C20 | H25 | 60.0° | 150.0° |
| C21 | C19 | C20 | H26 | 60.0° | 30.0° |
| C21 | C19 | C17 | H27 | 176.0° | 173.9° |
| N1 | C25 | C24 | C26 | 120.1° | 120.0° |
| N1 | C25 | C24 | H17 | 118.2° | 120.0° |
| N1 | C25 | C26 | H17 | 119.7° | 120.0° |
| N1 | C25 | C26 | C27 | 90.0° | 65.0° |
| C25 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C25 | C26 | H15 | 149.0° | 55.0° |
| N1 | C25 | C26 | H16 | 31.0° | 175.0° |
| N1 | C25 | C24 | H18 | 156.3° | 55.0° |
| N1 | C25 | C24 | H19 | 38.2° | 175.0° |
| C12 | C13 | C14 | C15 | 178.5° | 180.0° |
| C12 | C13 | C15 | H32 | 149.9° | 24.9° |
| C12 | C13 | C15 | H33 | 28.7° | 145.0° |
| C12 | C13 | C14 | H34 | 180.0° | 90.0° |
| C12 | C13 | C14 | H35 | 60.0° | 30.0° |
| C12 | C13 | C14 | H36 | 60.0° | 150.0° |
| C13 | C12 | C11 | H38 | 3.7° | 0.0° |
| C17 | C19 | C21 | H23 | 2.7° | 5.1° |
| C17 | C19 | C20 | H24 | 2.4° | 90.0° |
| C17 | C19 | C20 | H25 | 117.6° | 30.0° |
| C17 | C19 | C20 | H26 | 122.4° | 150.0° |
| C19 | C17 | C16 | H28 | 8.3° | 6.2° |
| C20 | C19 | C21 | H23 | 180.0° | 174.8° |
| C19 | C20 | H24 | H25 | 120.0° | 120.0° |
| C19 | C20 | H24 | H26 | 120.0° | 120.0° |
| C19 | C20 | H25 | H26 | 120.0° | 119.9° |
| C20 | C19 | C17 | H27 | 1.5° | 6.2° |
| C24 | C25 | C26 | H17 | 121.8° | 120.0° |
| C24 | C25 | C26 | C27 | 151.5° | 175.0° |
| C24 | C25 | N1 | H1 | 180.0° | 60.0° |
| C24 | C25 | N1 | H2 | 60.0° | 64.0° |
| C24 | C25 | C26 | H15 | 30.5° | 65.0° |
| C24 | C25 | C26 | H16 | 87.5° | 55.0° |
| C25 | C24 | H18 | H19 | 116.9° | 120.0° |
| C25 | C24 | C23 | H20 | 4.0° | 55.0° |
| C25 | C26 | C27 | O3 | 87.3° | 0.0° |
| C25 | C26 | C27 | O4 | 94.3° | 180.0° |
| C25 | C26 | C27 | H15 | 121.0° | 120.0° |
| C25 | C26 | C27 | H16 | 121.0° | 120.0° |
| C26 | C25 | N1 | H1 | 56.5° | 60.0° |
| C26 | C25 | N1 | H2 | 63.5° | 176.0° |
| C25 | C26 | H15 | H16 | 116.9° | 120.1° |
| C26 | C25 | C24 | H18 | 36.2° | 65.0° |
| C26 | C25 | C24 | H19 | 81.8° | 55.0° |
| C14 | C13 | C15 | H32 | 31.6° | 155.0° |
| C14 | C13 | C15 | H33 | 152.8° | 35.0° |
| C13 | C14 | H34 | H35 | 120.0° | 120.0° |
| C13 | C14 | H34 | H36 | 120.0° | 120.0° |
| C13 | C14 | H35 | H36 | 120.0° | 120.0° |
| C14 | C13 | C12 | H37 | 179.4° | 180.0° |
| C13 | C15 | C16 | H28 | 42.3° | 55.0° |
| C13 | C15 | H32 | H33 | 121.7° | 120.1° |
| C15 | C13 | C14 | H34 | 1.5° | 90.0° |
| C15 | C13 | C14 | H35 | 121.5° | 150.0° |
| C15 | C13 | C14 | H36 | 118.5° | 30.0° |
| C15 | C13 | C12 | H37 | 2.1° | 0.0° |
| O3 | C27 | O4 | C26 | 178.4° | 179.9° |
| O3 | C27 | O4 | C28 | 50.2° | 0.1° |
| O3 | C27 | C26 | H15 | 151.7° | 119.9° |
| O3 | C27 | C26 | H16 | 33.6° | 120.0° |
| C27 | O4 | C28 | H12 | 180.0° | 60.1° |
| C27 | O4 | C28 | H13 | 60.0° | 60.0° |
| C27 | O4 | C28 | H14 | 60.0° | 180.0° |
| O4 | C27 | C26 | H15 | 26.7° | 60.0° |
| O4 | C27 | C26 | H16 | 144.7° | 60.0° |
| C26 | C27 | O4 | C28 | 128.2° | 180.0° |
| C27 | C26 | H15 | H16 | 116.9° | 120.0° |
| C27 | C26 | C25 | H17 | 29.7° | 55.0° |
| O4 | C28 | H12 | H13 | 120.0° | 120.1° |
| O4 | C28 | H12 | H14 | 120.0° | 120.0° |
| O4 | C28 | H13 | H14 | 120.0° | 120.0° |
| H1 | N1 | C25 | H17 | 62.5° | 180.0° |
| H2 | N1 | C25 | H17 | 177.5° | 56.1° |
| H4 | C2 | C5 | H7 | 57.3° | 179.9° |
| H4 | C2 | C1 | H47 | 57.1° | 57.5° |
| H5 | C4 | C3 | H44 | 58.6° | 177.7° |
| H5 | C4 | C | H45 | 69.1° | 57.0° |
| H6 | C4 | C3 | H44 | 178.3° | 57.6° |
| H6 | C4 | C | H45 | 50.6° | 63.2° |
| H7 | C5 | C6 | H8 | 179.2° | 179.9° |
| H8 | C6 | C7 | H48 | 0.0° | 120.0° |
| H8 | C6 | C7 | H49 | 120.0° | 120.0° |
| H8 | C6 | C7 | H50 | 120.0° | 0.0° |
| H9 | C8 | H10 | H11 | 120.0° | 120.0° |
| H9 | C8 | C1 | H47 | 62.1° | 60.2° |
| H10 | C8 | C1 | H47 | 177.9° | 59.9° |
| H11 | C8 | C1 | H47 | 57.9° | 179.8° |
| H12 | C28 | H13 | H14 | 120.0° | 120.0° |
| H15 | C26 | C25 | H17 | 91.3° | 175.0° |
| H16 | C26 | C25 | H17 | 150.7° | 65.0° |
| H17 | C25 | C24 | H18 | 85.6° | 175.0° |
| H17 | C25 | C24 | H19 | 156.4° | 65.0° |
| H18 | C24 | C23 | H20 | 125.0° | 175.0° |
| H19 | C24 | C23 | H20 | 117.0° | 65.0° |
| H20 | C23 | O2 | H21 | 59.8° | 180.0° |
| H20 | C23 | C22 | H22 | 65.7° | 180.0° |
| H22 | C22 | C21 | H23 | 178.1° | 180.0° |
| H24 | C20 | H25 | H26 | 119.9° | 120.1° |
| H27 | C17 | C16 | H28 | 171.7° | 173.9° |
| H28 | C16 | C18 | H29 | 62.9° | 179.9° |
| H28 | C16 | C18 | H30 | 177.1° | 60.0° |
| H28 | C16 | C18 | H31 | 57.1° | 60.0° |
| H28 | C16 | C15 | H32 | 77.2° | 65.0° |
| H28 | C16 | C15 | H33 | 161.7° | 175.1° |
| H29 | C18 | H30 | H31 | 120.0° | 119.9° |
| H34 | C14 | H35 | H36 | 120.0° | 120.0° |
| H37 | C12 | C11 | H38 | 176.3° | 180.0° |
| H38 | C11 | C10 | H39 | 178.9° | 180.0° |
| H39 | C10 | C9 | H40 | 164.9° | 65.0° |
| H40 | C9 | N | H41 | 60.0° | 179.9° |
| H40 | C9 | N | H42 | 179.9° | 56.1° |
| H40 | C9 | C3 | H44 | 56.3° | 179.9° |
| H45 | C | O1 | H46 | 60.4° | 59.8° |
| H45 | C | C1 | H47 | 73.2° | 63.3° |
| H48 | C7 | H49 | H50 | 120.0° | 120.0° |
