SJT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | O1 | sing | 1.45Å | 1.47Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| O1 | C5 | sing | 1.34Å | 1.35Å | |
| C2 | C1 | doub | 1.33Å | 1.32Å | |
| C1 | C | sing | 1.47Å | 1.48Å | |
| O | C | doub | 1.22Å | 1.24Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.51Å | 1.49Å | |
| C5 | O2 | doub | 1.21Å | 1.20Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| N | C7 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C13 | sing | 1.53Å | 1.53Å | |
| C8 | O3 | sing | 1.43Å | 1.44Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| O3 | C10 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | doub | 1.33Å | 1.33Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | C18 | sing | 1.47Å | 1.45Å | |
| C18 | C19 | doub | 1.33Å | 1.32Å | |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| O4 | C21 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | O6 | sing | 1.43Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| O5 | C22 | sing | 1.43Å | 1.44Å | |
| O6 | C25 | sing | 1.43Å | 1.44Å | |
| C27 | O7 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| O7 | C25 | sing | 1.43Å | 1.41Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H42 | sing | 1.09Å | 1.10Å | |
| C7 | H43 | sing | 1.09Å | 1.10Å | |
| O4 | H44 | sing | 0.97Å | 0.95Å | |
| O5 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | O1 | 106.8° | 109.5° |
| C4 | C3 | C2 | 113.9° | 109.5° |
| C3 | C4 | H9 | 109.5° | 109.5° |
| C3 | C4 | H10 | 109.5° | 109.5° |
| C3 | C4 | H11 | 109.4° | 109.4° |
| C4 | C3 | H42 | 109.5° | 109.5° |
| O1 | C3 | C2 | 106.8° | 109.5° |
| C3 | O1 | C5 | 117.6° | 117.0° |
| O1 | C3 | H42 | 110.0° | 109.5° |
| C3 | C2 | C1 | 125.9° | 120.0° |
| C3 | C2 | H8 | 117.1° | 120.0° |
| C2 | C3 | H42 | 109.7° | 109.4° |
| O1 | C5 | C6 | 111.0° | 120.0° |
| O1 | C5 | O2 | 123.2° | 120.0° |
| C2 | C1 | C | 129.0° | 120.0° |
| C1 | C2 | H8 | 117.0° | 120.0° |
| C2 | C1 | H13 | 115.5° | 120.0° |
| C1 | C | O | 123.2° | 120.0° |
| C1 | C | N | 114.5° | 120.0° |
| C | C1 | H13 | 115.5° | 120.0° |
| O | C | N | 122.2° | 120.0° |
| C | N | C7 | 123.6° | 120.0° |
| C | N | H12 | 118.2° | 120.0° |
| C6 | C5 | O2 | 125.8° | 120.0° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.4° |
| C9 | C8 | C7 | 114.2° | 109.4° |
| C9 | C8 | O3 | 106.8° | 109.5° |
| C8 | C9 | H1 | 109.5° | 109.4° |
| C8 | C9 | H2 | 109.5° | 109.5° |
| C8 | C9 | H3 | 109.5° | 109.5° |
| C9 | C8 | H4 | 109.5° | 109.4° |
| N | C7 | C8 | 110.5° | 109.5° |
| N | C7 | C13 | 111.7° | 109.5° |
| C7 | N | H12 | 118.2° | 120.0° |
| N | C7 | H43 | 108.3° | 109.5° |
| C8 | C7 | C13 | 111.4° | 109.2° |
| C7 | C8 | O3 | 106.6° | 109.5° |
| C7 | C8 | H4 | 109.2° | 109.5° |
| C8 | C7 | H43 | 107.4° | 109.6° |
| C7 | C13 | C11 | 113.9° | 109.1° |
| C7 | C13 | H19 | 108.4° | 109.6° |
| C7 | C13 | H20 | 108.4° | 109.7° |
| C13 | C7 | H43 | 107.4° | 109.5° |
| C8 | O3 | C10 | 112.6° | 114.1° |
| O3 | C8 | H4 | 110.4° | 109.5° |
| C13 | C11 | C10 | 109.4° | 109.2° |
| C13 | C11 | C12 | 111.6° | 109.5° |
| C13 | C11 | H15 | 107.6° | 109.6° |
| C11 | C13 | H19 | 108.4° | 109.5° |
| C11 | C13 | H20 | 108.4° | 109.5° |
| O3 | C10 | C11 | 110.7° | 109.4° |
| O3 | C10 | C14 | 107.2° | 109.5° |
| O3 | C10 | H14 | 109.2° | 109.5° |
| C10 | C11 | C12 | 112.6° | 109.5° |
| C11 | C10 | C14 | 113.5° | 109.5° |
| C11 | C10 | H14 | 108.1° | 109.4° |
| C10 | C11 | H15 | 107.7° | 109.6° |
| C12 | C11 | H15 | 107.7° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.4° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C10 | C14 | C15 | 112.5° | 109.5° |
| C14 | C10 | H14 | 108.1° | 109.5° |
| C10 | C14 | H21 | 108.7° | 109.5° |
| C10 | C14 | H22 | 108.7° | 109.5° |
| C14 | C15 | C16 | 123.9° | 120.0° |
| C15 | C14 | H21 | 108.7° | 109.5° |
| C15 | C14 | H22 | 108.7° | 109.5° |
| C14 | C15 | H23 | 118.1° | 120.0° |
| C15 | C16 | C17 | 123.9° | 119.9° |
| C15 | C16 | C18 | 118.4° | 120.0° |
| C16 | C15 | H23 | 118.0° | 120.0° |
| C17 | C16 | C18 | 117.8° | 120.0° |
| C16 | C17 | H24 | 109.5° | 109.4° |
| C16 | C17 | H25 | 109.5° | 109.4° |
| C16 | C17 | H26 | 109.5° | 109.5° |
| C16 | C18 | C19 | 127.5° | 120.0° |
| C16 | C18 | H27 | 116.2° | 120.0° |
| C18 | C19 | C20 | 124.9° | 120.0° |
| C19 | C18 | H27 | 116.3° | 120.0° |
| C18 | C19 | H28 | 117.5° | 120.0° |
| C19 | C20 | C21 | 113.7° | 109.4° |
| C19 | C20 | O6 | 110.4° | 109.5° |
| C20 | C19 | H28 | 117.6° | 120.0° |
| C19 | C20 | H29 | 107.3° | 109.5° |
| O4 | C21 | C20 | 110.0° | 109.6° |
| O4 | C21 | C22 | 110.9° | 109.5° |
| O4 | C21 | H30 | 109.0° | 109.6° |
| C21 | O4 | H44 | 109.5° | 114.0° |
| C21 | C20 | O6 | 110.2° | 109.5° |
| C20 | C21 | C22 | 111.7° | 109.1° |
| C21 | C20 | H29 | 106.9° | 109.5° |
| C20 | C21 | H30 | 107.6° | 109.5° |
| C20 | O6 | C25 | 113.6° | 114.1° |
| O6 | C20 | H29 | 108.0° | 109.5° |
| C21 | C22 | O5 | 107.4° | 109.5° |
| C21 | C22 | C23 | 112.0° | 109.5° |
| C21 | C22 | C24 | 109.2° | 109.0° |
| C22 | C21 | H30 | 107.5° | 109.5° |
| O5 | C22 | C23 | 108.2° | 109.5° |
| O5 | C22 | C24 | 108.7° | 109.6° |
| C22 | O5 | H45 | 109.5° | 114.0° |
| O6 | C25 | O7 | 110.4° | 109.5° |
| O6 | C25 | C24 | 106.8° | 109.4° |
| O6 | C25 | C26 | 106.5° | 109.5° |
| C27 | O7 | C25 | 116.3° | 114.0° |
| O7 | C27 | H39 | 109.5° | 109.5° |
| O7 | C27 | H40 | 109.5° | 109.5° |
| O7 | C27 | H41 | 109.5° | 109.4° |
| C23 | C22 | C24 | 111.2° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.4° |
| C22 | C23 | H32 | 109.5° | 109.5° |
| C22 | C23 | H33 | 109.5° | 109.5° |
| C22 | C24 | C25 | 112.9° | 109.2° |
| C22 | C24 | H34 | 108.6° | 109.5° |
| C22 | C24 | H35 | 108.6° | 109.5° |
| O7 | C25 | C24 | 106.0° | 109.5° |
| O7 | C25 | C26 | 113.7° | 109.5° |
| C24 | C25 | C26 | 113.2° | 109.5° |
| C25 | C24 | H34 | 108.6° | 109.5° |
| C25 | C24 | H35 | 108.6° | 109.6° |
| C25 | C26 | H36 | 109.5° | 109.5° |
| C25 | C26 | H37 | 109.5° | 109.5° |
| C25 | C26 | H38 | 109.5° | 109.5° |
| H1 | C9 | H2 | 109.4° | 109.5° |
| H1 | C9 | H3 | 109.4° | 109.5° |
| H2 | C9 | H3 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H7 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H9 | C4 | H11 | 109.5° | 109.5° |
| H10 | C4 | H11 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H18 | 109.5° | 109.4° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H24 | C17 | H26 | 109.5° | 109.5° |
| H25 | C17 | H26 | 109.4° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H31 | C23 | H33 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.5° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.4° | 109.5° |
| H36 | C26 | H38 | 109.5° | 109.5° |
| H37 | C26 | H38 | 109.5° | 109.4° |
| H39 | C27 | H40 | 109.5° | 109.4° |
| H39 | C27 | H41 | 109.4° | 109.5° |
| H40 | C27 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | O1 | C2 | 122.3° | 120.0° |
| C4 | C3 | O1 | H42 | 118.8° | 120.1° |
| C4 | C3 | C2 | H42 | 123.1° | 120.0° |
| C4 | C3 | O1 | C5 | 160.6° | 90.0° |
| C4 | C3 | C2 | C1 | 87.6° | 127.2° |
| C4 | C3 | C2 | H8 | 92.3° | 52.8° |
| C3 | C4 | H9 | H10 | 120.0° | 120.1° |
| C3 | C4 | H9 | H11 | 120.0° | 119.9° |
| C3 | C4 | H10 | H11 | 120.0° | 120.0° |
| O1 | C3 | C2 | H42 | 119.2° | 120.0° |
| O1 | C3 | C2 | C1 | 154.7° | 112.8° |
| C3 | O1 | C5 | C6 | 178.5° | 180.0° |
| C3 | O1 | C5 | O2 | 1.5° | 0.1° |
| O1 | C3 | C2 | H8 | 25.4° | 67.2° |
| O1 | C3 | C4 | H9 | 180.0° | 60.1° |
| O1 | C3 | C4 | H10 | 60.0° | 60.0° |
| O1 | C3 | C4 | H11 | 60.0° | 180.0° |
| C2 | C3 | O1 | C5 | 77.2° | 150.0° |
| C3 | C2 | C1 | H8 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 2.7° | 19.4° |
| C2 | C3 | C4 | H9 | 62.3° | 180.0° |
| C2 | C3 | C4 | H10 | 177.7° | 60.0° |
| C2 | C3 | C4 | H11 | 57.7° | 60.0° |
| C3 | C2 | C1 | H13 | 177.3° | 160.5° |
| O1 | C5 | C6 | O2 | 180.0° | 179.9° |
| O1 | C5 | C6 | H5 | 180.0° | 180.0° |
| O1 | C5 | C6 | H6 | 60.0° | 59.9° |
| O1 | C5 | C6 | H7 | 60.0° | 60.0° |
| C5 | O1 | C3 | H42 | 41.8° | 30.0° |
| C2 | C1 | C | H13 | 180.0° | 179.9° |
| C2 | C1 | C | O | 2.9° | 8.7° |
| C2 | C1 | C | N | 178.7° | 171.3° |
| C1 | C2 | C3 | H42 | 35.5° | 7.2° |
| C1 | C | O | N | 178.3° | 180.0° |
| C1 | C | N | C7 | 178.0° | 180.0° |
| C | C1 | C2 | H8 | 177.3° | 160.6° |
| C1 | C | N | H12 | 2.0° | 0.1° |
| O | C | N | C7 | 0.5° | 0.0° |
| O | C | N | H12 | 179.5° | 180.0° |
| O | C | C1 | H13 | 177.1° | 171.4° |
| C | N | C7 | H12 | 180.0° | 179.9° |
| C | N | C7 | C8 | 171.3° | 164.6° |
| C | N | C7 | C13 | 64.1° | 75.7° |
| N | C | C1 | H13 | 1.3° | 8.6° |
| C | N | C7 | H43 | 53.9° | 44.5° |
| C5 | C6 | H5 | H6 | 120.0° | 120.1° |
| C5 | C6 | H5 | H7 | 120.0° | 120.0° |
| C5 | C6 | H6 | H7 | 120.0° | 119.9° |
| O2 | C5 | C6 | H5 | 0.0° | 0.1° |
| O2 | C5 | C6 | H6 | 120.0° | 120.0° |
| O2 | C5 | C6 | H7 | 120.0° | 120.1° |
| C9 | C8 | C7 | N | 48.9° | 57.7° |
| C9 | C8 | C7 | O3 | 117.7° | 120.0° |
| C9 | C8 | C7 | H4 | 122.9° | 119.9° |
| C9 | C8 | C7 | C13 | 173.7° | 177.6° |
| C9 | C8 | O3 | H4 | 118.9° | 120.0° |
| C9 | C8 | O3 | C10 | 171.0° | 178.9° |
| C8 | C9 | H1 | H2 | 120.0° | 120.0° |
| C8 | C9 | H1 | H3 | 120.0° | 120.0° |
| C8 | C9 | H2 | H3 | 120.0° | 120.0° |
| C9 | C8 | C7 | H43 | 69.0° | 62.4° |
| N | C7 | C8 | C13 | 124.8° | 119.9° |
| N | C7 | C8 | H43 | 117.9° | 120.2° |
| N | C7 | C13 | H43 | 118.6° | 120.1° |
| N | C7 | C8 | O3 | 68.9° | 62.3° |
| N | C7 | C13 | C11 | 75.5° | 63.0° |
| N | C7 | C8 | H4 | 171.8° | 177.7° |
| N | C7 | C13 | H19 | 45.2° | 177.2° |
| N | C7 | C13 | H20 | 163.9° | 57.0° |
| C8 | C7 | C13 | H43 | 117.3° | 120.0° |
| C7 | C8 | O3 | H4 | 118.6° | 120.0° |
| C8 | C7 | C13 | C11 | 48.6° | 57.0° |
| C7 | C8 | O3 | C10 | 66.5° | 61.1° |
| C7 | C8 | C9 | H1 | 180.0° | 180.0° |
| C7 | C8 | C9 | H2 | 60.0° | 60.0° |
| C7 | C8 | C9 | H3 | 60.0° | 60.0° |
| C8 | C7 | N | H12 | 8.7° | 15.4° |
| C8 | C7 | C13 | H19 | 169.3° | 62.9° |
| C8 | C7 | C13 | H20 | 72.0° | 176.9° |
| C13 | C7 | C8 | O3 | 55.9° | 57.6° |
| C7 | C13 | C11 | H19 | 120.7° | 119.9° |
| C7 | C13 | C11 | H20 | 120.6° | 120.0° |
| C7 | C13 | C11 | C10 | 45.4° | 56.9° |
| C7 | C13 | C11 | C12 | 79.8° | 62.9° |
| C13 | C7 | C8 | H4 | 63.4° | 62.4° |
| C13 | C7 | N | H12 | 115.9° | 104.3° |
| C7 | C13 | C11 | H15 | 162.2° | 176.9° |
| C7 | C13 | H19 | H20 | 118.0° | 120.3° |
| C8 | O3 | C10 | C11 | 66.5° | 61.1° |
| C8 | O3 | C10 | C14 | 169.2° | 178.9° |
| O3 | C8 | C9 | H1 | 62.4° | 60.0° |
| O3 | C8 | C9 | H2 | 177.6° | 180.0° |
| O3 | C8 | C9 | H3 | 57.6° | 60.0° |
| C8 | O3 | C10 | H14 | 52.3° | 58.9° |
| O3 | C8 | C7 | H43 | 173.2° | 177.5° |
| C13 | C11 | C10 | O3 | 52.5° | 57.5° |
| C13 | C11 | C10 | C12 | 124.7° | 119.8° |
| C13 | C11 | C10 | H15 | 116.7° | 120.1° |
| C13 | C11 | C12 | H15 | 117.9° | 120.2° |
| C13 | C11 | C10 | C14 | 173.1° | 177.6° |
| C13 | C11 | C10 | H14 | 67.1° | 62.5° |
| C13 | C11 | C12 | H16 | 180.0° | 73.5° |
| C13 | C11 | C12 | H17 | 60.0° | 46.5° |
| C13 | C11 | C12 | H18 | 60.0° | 166.5° |
| C11 | C13 | H19 | H20 | 118.0° | 120.1° |
| C11 | C13 | C7 | H43 | 165.9° | 176.9° |
| O3 | C10 | C11 | C14 | 120.6° | 120.0° |
| O3 | C10 | C11 | H14 | 119.6° | 120.0° |
| O3 | C10 | C11 | C12 | 72.2° | 62.3° |
| O3 | C10 | C14 | H14 | 117.7° | 120.0° |
| O3 | C10 | C14 | C15 | 170.5° | 65.0° |
| C10 | O3 | C8 | H4 | 52.1° | 58.9° |
| O3 | C10 | C11 | H15 | 169.2° | 177.6° |
| O3 | C10 | C14 | H21 | 50.0° | 55.0° |
| O3 | C10 | C14 | H22 | 69.1° | 175.0° |
| C10 | C11 | C12 | H15 | 118.6° | 120.2° |
| C11 | C10 | C14 | H14 | 119.8° | 120.0° |
| C11 | C10 | C14 | C15 | 67.0° | 175.0° |
| C10 | C11 | C12 | H16 | 56.5° | 46.1° |
| C10 | C11 | C12 | H17 | 63.5° | 166.1° |
| C10 | C11 | C12 | H18 | 176.5° | 73.9° |
| C10 | C11 | C13 | H19 | 166.1° | 63.0° |
| C10 | C11 | C13 | H20 | 75.2° | 176.9° |
| C11 | C10 | C14 | H21 | 172.6° | 65.0° |
| C11 | C10 | C14 | H22 | 53.5° | 55.0° |
| C12 | C11 | C10 | C14 | 48.4° | 57.7° |
| C12 | C11 | C10 | H14 | 168.3° | 177.7° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H18 | 120.0° | 120.0° |
| C11 | C12 | H17 | H18 | 120.0° | 120.0° |
| C12 | C11 | C13 | H19 | 40.8° | 177.2° |
| C12 | C11 | C13 | H20 | 159.5° | 57.1° |
| C10 | C14 | C15 | H21 | 120.4° | 120.0° |
| C10 | C14 | C15 | H22 | 120.4° | 120.0° |
| C10 | C14 | C15 | C16 | 146.5° | 127.4° |
| C14 | C10 | C11 | H15 | 70.2° | 62.4° |
| C10 | C14 | H21 | H22 | 118.6° | 120.0° |
| C10 | C14 | C15 | H23 | 33.5° | 52.6° |
| C14 | C15 | C16 | H23 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 2.6° |
| C14 | C15 | C16 | C18 | 179.6° | 177.4° |
| C15 | C14 | C10 | H14 | 52.8° | 55.0° |
| C15 | C14 | H21 | H22 | 118.6° | 120.0° |
| C15 | C16 | C17 | C18 | 179.8° | 180.0° |
| C15 | C16 | C18 | C19 | 179.3° | 180.0° |
| C16 | C15 | C14 | H21 | 93.1° | 112.6° |
| C16 | C15 | C14 | H22 | 26.0° | 7.4° |
| C15 | C16 | C17 | H24 | 180.0° | 84.5° |
| C15 | C16 | C17 | H25 | 60.0° | 155.5° |
| C15 | C16 | C17 | H26 | 60.0° | 35.5° |
| C15 | C16 | C18 | H27 | 0.7° | 0.0° |
| C17 | C16 | C18 | C19 | 0.9° | 0.0° |
| C17 | C16 | C15 | H23 | 179.9° | 177.4° |
| C16 | C17 | H24 | H25 | 120.0° | 119.9° |
| C16 | C17 | H24 | H26 | 120.0° | 120.0° |
| C16 | C17 | H25 | H26 | 120.0° | 120.0° |
| C17 | C16 | C18 | H27 | 179.1° | 180.0° |
| C16 | C18 | C19 | H27 | 180.0° | 180.0° |
| C16 | C18 | C19 | C20 | 179.9° | 180.0° |
| C18 | C16 | C15 | H23 | 0.4° | 2.5° |
| C18 | C16 | C17 | H24 | 0.2° | 95.5° |
| C18 | C16 | C17 | H25 | 120.2° | 24.5° |
| C18 | C16 | C17 | H26 | 119.8° | 144.5° |
| C16 | C18 | C19 | H28 | 0.1° | 0.0° |
| C18 | C19 | C20 | H28 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 110.6° | 125.0° |
| C18 | C19 | C20 | O6 | 124.9° | 5.0° |
| C18 | C19 | C20 | H29 | 7.5° | 115.0° |
| C19 | C20 | C21 | O4 | 58.6° | 62.5° |
| C19 | C20 | C21 | O6 | 124.6° | 120.0° |
| C19 | C20 | C21 | H29 | 118.3° | 120.0° |
| C19 | C20 | O6 | H29 | 117.1° | 120.0° |
| C19 | C20 | C21 | C22 | 177.9° | 177.6° |
| C19 | C20 | O6 | C25 | 171.1° | 178.9° |
| C20 | C19 | C18 | H27 | 0.2° | 0.0° |
| C19 | C20 | C21 | H30 | 60.0° | 57.8° |
| O4 | C21 | C20 | C22 | 123.6° | 119.9° |
| O4 | C21 | C20 | H30 | 118.6° | 120.3° |
| O4 | C21 | C20 | O6 | 176.9° | 177.5° |
| O4 | C21 | C22 | H30 | 119.1° | 120.2° |
| O4 | C21 | C22 | O5 | 54.3° | 56.9° |
| O4 | C21 | C22 | C23 | 64.4° | 63.2° |
| O4 | C21 | C22 | C24 | 171.9° | 176.9° |
| O4 | C21 | C20 | H29 | 59.8° | 57.5° |
| C21 | C20 | O6 | H29 | 116.5° | 120.0° |
| C20 | C21 | C22 | H30 | 117.9° | 119.9° |
| C20 | C21 | C22 | O5 | 68.8° | 63.0° |
| C21 | C20 | O6 | C25 | 62.4° | 61.2° |
| C20 | C21 | C22 | C23 | 172.5° | 176.8° |
| C20 | C21 | C22 | C24 | 48.8° | 57.0° |
| C21 | C20 | C19 | H28 | 69.4° | 55.0° |
| C20 | C21 | O4 | H44 | 180.0° | 60.0° |
| O6 | C20 | C21 | C22 | 53.3° | 57.6° |
| C20 | O6 | C25 | O7 | 51.2° | 58.9° |
| C20 | O6 | C25 | C24 | 63.6° | 61.1° |
| C20 | O6 | C25 | C26 | 175.2° | 178.9° |
| O6 | C20 | C19 | H28 | 55.1° | 175.0° |
| O6 | C20 | C21 | H30 | 64.5° | 62.2° |
| C21 | C22 | O5 | C23 | 121.1° | 120.1° |
| C21 | C22 | O5 | C24 | 118.0° | 119.6° |
| C21 | C22 | C23 | C24 | 122.5° | 119.6° |
| C21 | C22 | C24 | C25 | 52.6° | 57.0° |
| C22 | C21 | C20 | H29 | 63.8° | 62.4° |
| C21 | C22 | C23 | H31 | 180.0° | 60.0° |
| C21 | C22 | C23 | H32 | 60.0° | 180.0° |
| C21 | C22 | C23 | H33 | 60.0° | 59.9° |
| C21 | C22 | C24 | H34 | 68.0° | 62.9° |
| C21 | C22 | C24 | H35 | 173.1° | 177.0° |
| C22 | C21 | O4 | H44 | 56.0° | 179.7° |
| C21 | C22 | O5 | H45 | 180.0° | 60.0° |
| O5 | C22 | C23 | C24 | 119.3° | 120.3° |
| O5 | C22 | C24 | C25 | 64.3° | 62.9° |
| O5 | C22 | C21 | H30 | 173.3° | 177.1° |
| O5 | C22 | C23 | H31 | 61.8° | 60.2° |
| O5 | C22 | C23 | H32 | 178.2° | 59.8° |
| O5 | C22 | C23 | H33 | 58.2° | 179.9° |
| O5 | C22 | C24 | H34 | 175.2° | 177.2° |
| O5 | C22 | C24 | H35 | 56.2° | 57.1° |
| O6 | C25 | O7 | C27 | 74.3° | 60.0° |
| O6 | C25 | C24 | C22 | 58.4° | 57.6° |
| O6 | C25 | O7 | C24 | 115.3° | 120.0° |
| O6 | C25 | O7 | C26 | 119.7° | 120.0° |
| O6 | C25 | C24 | C26 | 116.9° | 120.0° |
| C25 | O6 | C20 | H29 | 54.1° | 58.9° |
| O6 | C25 | C24 | H34 | 62.1° | 62.3° |
| O6 | C25 | C24 | H35 | 178.9° | 177.5° |
| O6 | C25 | C26 | H36 | 180.0° | 179.9° |
| O6 | C25 | C26 | H37 | 60.0° | 60.0° |
| O6 | C25 | C26 | H38 | 60.0° | 60.0° |
| C27 | O7 | C25 | C24 | 170.4° | 180.0° |
| C27 | O7 | C25 | C26 | 45.4° | 60.0° |
| O7 | C27 | H39 | H40 | 120.0° | 120.1° |
| O7 | C27 | H39 | H41 | 120.0° | 120.0° |
| O7 | C27 | H40 | H41 | 120.0° | 120.0° |
| C23 | C22 | C24 | C25 | 176.7° | 176.8° |
| C23 | C22 | C21 | H30 | 54.6° | 56.9° |
| C22 | C23 | H31 | H32 | 120.0° | 120.0° |
| C22 | C23 | H31 | H33 | 120.0° | 120.0° |
| C22 | C23 | H32 | H33 | 120.0° | 120.0° |
| C23 | C22 | C24 | H34 | 56.2° | 57.0° |
| C23 | C22 | C24 | H35 | 62.8° | 63.2° |
| C23 | C22 | O5 | H45 | 58.9° | 60.2° |
| C22 | C24 | C25 | O7 | 59.4° | 62.4° |
| C22 | C24 | C25 | H34 | 120.5° | 119.9° |
| C22 | C24 | C25 | H35 | 120.5° | 120.0° |
| C22 | C24 | C25 | C26 | 175.3° | 177.6° |
| C24 | C22 | C21 | H30 | 69.0° | 62.9° |
| C24 | C22 | C23 | H31 | 57.5° | 179.6° |
| C24 | C22 | C23 | H32 | 62.5° | 60.5° |
| C24 | C22 | C23 | H33 | 177.5° | 59.6° |
| C22 | C24 | H34 | H35 | 118.4° | 120.1° |
| C24 | C22 | O5 | H45 | 62.1° | 179.6° |
| O7 | C25 | C24 | C26 | 125.3° | 120.0° |
| O7 | C25 | C24 | H34 | 179.9° | 177.7° |
| O7 | C25 | C24 | H35 | 61.1° | 57.5° |
| O7 | C25 | C26 | H36 | 58.1° | 60.0° |
| O7 | C25 | C26 | H37 | 61.8° | 60.0° |
| O7 | C25 | C26 | H38 | 178.2° | 180.0° |
| C25 | O7 | C27 | H39 | 180.0° | 180.0° |
| C25 | O7 | C27 | H40 | 60.0° | 60.0° |
| C25 | O7 | C27 | H41 | 60.0° | 60.0° |
| C25 | C24 | H34 | H35 | 118.5° | 120.2° |
| C24 | C25 | C26 | H36 | 62.9° | 60.0° |
| C24 | C25 | C26 | H37 | 177.1° | 180.0° |
| C24 | C25 | C26 | H38 | 57.1° | 60.0° |
| C26 | C25 | C24 | H34 | 54.8° | 57.7° |
| C26 | C25 | C24 | H35 | 64.2° | 62.5° |
| C25 | C26 | H36 | H37 | 120.0° | 120.0° |
| C25 | C26 | H36 | H38 | 120.0° | 120.0° |
| C25 | C26 | H37 | H38 | 120.0° | 120.0° |
| H1 | C9 | H2 | H3 | 120.0° | 120.0° |
| H1 | C9 | C8 | H4 | 57.2° | 60.1° |
| H2 | C9 | C8 | H4 | 62.8° | 59.9° |
| H3 | C9 | C8 | H4 | 177.2° | 180.0° |
| H4 | C8 | C7 | H43 | 53.9° | 57.5° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H8 | C2 | C1 | H13 | 2.7° | 19.5° |
| H8 | C2 | C3 | H42 | 144.5° | 172.8° |
| H9 | C4 | H10 | H11 | 120.0° | 120.0° |
| H9 | C4 | C3 | H42 | 60.9° | 60.0° |
| H10 | C4 | C3 | H42 | 59.1° | 180.0° |
| H11 | C4 | C3 | H42 | 179.1° | 60.0° |
| H12 | N | C7 | H43 | 126.1° | 135.6° |
| H14 | C10 | C11 | H15 | 49.7° | 57.6° |
| H14 | C10 | C14 | H21 | 67.6° | 175.1° |
| H14 | C10 | C14 | H22 | 173.3° | 65.0° |
| H15 | C11 | C12 | H16 | 62.1° | 166.2° |
| H15 | C11 | C12 | H17 | 177.9° | 73.7° |
| H15 | C11 | C12 | H18 | 57.9° | 46.3° |
| H15 | C11 | C13 | H19 | 77.1° | 57.1° |
| H15 | C11 | C13 | H20 | 41.6° | 63.0° |
| H16 | C12 | H17 | H18 | 120.0° | 119.9° |
| H19 | C13 | C7 | H43 | 73.4° | 57.1° |
| H20 | C13 | C7 | H43 | 45.3° | 63.1° |
| H21 | C14 | C15 | H23 | 86.9° | 67.4° |
| H22 | C14 | C15 | H23 | 154.0° | 172.6° |
| H24 | C17 | H25 | H26 | 120.0° | 120.1° |
| H27 | C18 | C19 | H28 | 179.9° | 180.0° |
| H28 | C19 | C20 | H29 | 172.5° | 65.0° |
| H29 | C20 | C21 | H30 | 178.4° | 177.7° |
| H30 | C21 | O4 | H44 | 62.2° | 60.2° |
| H31 | C23 | H32 | H33 | 120.0° | 120.0° |
| H36 | C26 | H37 | H38 | 120.0° | 120.0° |
| H39 | C27 | H40 | H41 | 120.0° | 120.0° |
