0SC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.56Å | |
| F | C24 | sing | 1.35Å | 1.35Å | |
| C23 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C8 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C24 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.36Å | Aromatic |
| N4 | C13 | sing | 1.34Å | 1.38Å | Aromatic |
| N4 | C16 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.51Å | |
| C17 | C18 | doub | 1.41Å | 1.43Å | Aromatic |
| C7 | N1 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | sing | 1.42Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C16 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C21 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | N5 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C14 | N2 | doub | 1.33Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.46Å | 1.46Å | Aromatic |
| C18 | C19 | sing | 1.46Å | 1.44Å | Aromatic |
| N3 | C15 | doub | 1.32Å | 1.35Å | Aromatic |
| C15 | N6 | sing | 1.38Å | 1.44Å | |
| N5 | C20 | sing | 1.37Å | 1.37Å | Aromatic |
| C28 | N6 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| N6 | C25 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | doub | 1.34Å | 1.35Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C27 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C26 | sing | 1.43Å | 1.43Å | |
| C23 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| N5 | H3 | sing | 0.97Å | 1.00Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| O2 | H28 | sing | 0.97Å | 0.95Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 106.6° | 109.4° |
| O2 | C2 | C1 | 107.0° | 109.5° |
| O2 | C2 | C4 | 108.3° | 109.5° |
| C2 | O2 | H28 | 109.5° | 114.0° |
| C3 | C2 | C1 | 110.2° | 109.5° |
| C3 | C2 | C4 | 112.0° | 109.4° |
| C2 | C3 | H29 | 109.5° | 109.5° |
| C2 | C3 | H30 | 109.4° | 109.5° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C1 | C2 | C4 | 112.4° | 109.5° |
| C2 | C1 | H32 | 109.5° | 109.5° |
| C2 | C1 | H33 | 109.5° | 109.5° |
| C2 | C1 | H34 | 109.5° | 109.5° |
| C2 | C4 | C8 | 113.3° | 109.5° |
| C2 | C4 | C5 | 113.4° | 109.5° |
| C2 | C4 | H27 | 105.9° | 109.6° |
| F | C24 | C23 | 117.3° | 119.9° |
| F | C24 | C17 | 118.0° | 119.9° |
| C24 | C23 | C22 | 119.1° | 120.8° |
| C23 | C24 | C17 | 124.7° | 120.1° |
| C24 | C23 | H1 | 120.4° | 119.6° |
| C23 | C22 | C21 | 119.2° | 120.3° |
| C22 | C23 | H1 | 120.4° | 119.6° |
| C23 | C22 | H2 | 120.4° | 119.9° |
| C8 | C4 | C5 | 111.4° | 109.2° |
| C4 | C8 | C7 | 114.0° | 109.3° |
| C4 | C8 | H25 | 108.3° | 109.5° |
| C4 | C8 | H26 | 108.3° | 109.6° |
| C8 | C4 | H27 | 106.1° | 109.5° |
| C4 | C5 | C6 | 114.4° | 109.3° |
| C4 | C5 | H21 | 108.2° | 109.5° |
| C4 | C5 | H22 | 108.2° | 109.5° |
| C5 | C4 | H27 | 106.0° | 109.6° |
| C8 | C7 | N1 | 109.6° | 109.6° |
| C8 | C7 | H23 | 109.4° | 109.5° |
| C8 | C7 | H24 | 109.4° | 109.4° |
| C7 | C8 | H25 | 108.3° | 109.5° |
| C7 | C8 | H26 | 108.3° | 109.5° |
| C24 | C17 | C16 | 122.7° | 120.3° |
| C24 | C17 | C18 | 114.8° | 119.3° |
| C5 | C6 | N1 | 109.9° | 109.5° |
| C5 | C6 | H19 | 109.4° | 109.4° |
| C5 | C6 | H20 | 109.4° | 109.4° |
| C6 | C5 | H21 | 108.2° | 109.5° |
| C6 | C5 | H22 | 108.2° | 109.5° |
| C22 | C21 | C18 | 120.7° | 119.5° |
| C22 | C21 | N5 | 131.3° | 133.3° |
| C21 | C22 | H2 | 120.4° | 119.9° |
| C13 | C12 | C11 | 120.4° | 118.1° |
| C12 | C13 | N4 | 118.2° | 122.2° |
| C12 | C13 | C14 | 119.2° | 118.8° |
| C13 | C12 | H6 | 119.8° | 121.0° |
| C12 | C11 | C10 | 119.0° | 120.0° |
| C11 | C12 | H6 | 119.8° | 120.9° |
| C12 | C11 | H7 | 120.5° | 120.0° |
| C13 | N4 | C16 | 116.6° | 120.9° |
| N4 | C13 | C14 | 122.5° | 119.0° |
| N4 | C16 | C17 | 117.9° | 118.3° |
| N4 | C16 | N3 | 125.8° | 123.3° |
| C16 | C17 | C18 | 120.9° | 120.4° |
| C17 | C16 | N3 | 115.9° | 118.4° |
| C17 | C18 | C21 | 121.5° | 119.9° |
| C17 | C18 | C19 | 130.9° | 134.0° |
| C7 | N1 | C6 | 108.2° | 111.2° |
| C7 | N1 | C9 | 111.9° | 111.0° |
| N1 | C7 | H23 | 109.4° | 109.5° |
| N1 | C7 | H24 | 109.4° | 109.4° |
| C13 | C14 | N2 | 117.2° | 120.3° |
| C13 | C14 | C15 | 115.6° | 117.6° |
| C11 | C10 | N2 | 122.5° | 121.6° |
| C11 | C10 | C9 | 121.2° | 119.2° |
| C10 | C11 | H7 | 120.5° | 120.0° |
| C6 | N1 | C9 | 112.7° | 111.0° |
| N1 | C6 | H19 | 109.4° | 109.4° |
| N1 | C6 | H20 | 109.4° | 109.5° |
| N1 | C9 | C10 | 112.8° | 109.5° |
| N1 | C9 | H16 | 108.6° | 109.4° |
| N1 | C9 | H17 | 108.6° | 109.5° |
| C16 | N3 | C15 | 121.1° | 121.4° |
| C18 | C21 | N5 | 107.7° | 107.2° |
| C21 | C18 | C19 | 107.2° | 106.1° |
| C21 | N5 | C20 | 108.7° | 109.8° |
| C21 | N5 | H3 | 125.6° | 125.1° |
| N2 | C10 | C9 | 116.3° | 119.2° |
| C10 | N2 | C14 | 121.8° | 121.1° |
| C10 | C9 | H16 | 108.6° | 109.5° |
| C10 | C9 | H17 | 108.6° | 109.5° |
| N2 | C14 | C15 | 127.0° | 122.1° |
| C14 | C15 | N3 | 118.2° | 117.8° |
| C14 | C15 | N6 | 125.3° | 121.1° |
| C18 | C19 | C20 | 106.2° | 107.0° |
| C18 | C19 | H5 | 126.9° | 126.5° |
| N3 | C15 | N6 | 116.5° | 121.2° |
| C15 | N6 | C28 | 124.0° | 111.0° |
| C15 | N6 | C25 | 120.7° | 111.0° |
| N5 | C20 | C19 | 110.2° | 109.9° |
| C20 | N5 | H3 | 125.7° | 125.1° |
| N5 | C20 | H4 | 124.9° | 125.1° |
| N6 | C28 | C27 | 109.4° | 109.3° |
| C28 | N6 | C25 | 113.0° | 110.7° |
| N6 | C28 | H8 | 109.5° | 109.5° |
| N6 | C28 | H9 | 109.5° | 109.5° |
| C28 | C27 | O1 | 111.6° | 109.2° |
| C27 | C28 | H8 | 109.5° | 109.5° |
| C27 | C28 | H9 | 109.5° | 109.5° |
| C28 | C27 | H10 | 109.0° | 109.5° |
| C28 | C27 | H11 | 109.0° | 109.6° |
| N6 | C25 | C26 | 109.3° | 109.3° |
| N6 | C25 | H14 | 109.5° | 109.5° |
| N6 | C25 | H15 | 109.5° | 109.5° |
| C19 | C20 | H4 | 124.9° | 125.0° |
| C20 | C19 | H5 | 126.9° | 126.5° |
| C25 | C26 | O1 | 111.6° | 109.2° |
| C25 | C26 | H12 | 109.0° | 109.5° |
| C25 | C26 | H13 | 108.9° | 109.5° |
| C26 | C25 | H14 | 109.5° | 109.5° |
| C26 | C25 | H15 | 109.5° | 109.5° |
| C27 | O1 | C26 | 110.8° | 113.8° |
| O1 | C27 | H10 | 108.9° | 109.5° |
| O1 | C27 | H11 | 108.9° | 109.5° |
| O1 | C26 | H12 | 108.9° | 109.5° |
| O1 | C26 | H13 | 108.9° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H10 | C27 | H11 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H19 | C6 | H20 | 109.5° | 109.5° |
| H21 | C5 | H22 | 109.5° | 109.5° |
| H23 | C7 | H24 | 109.5° | 109.5° |
| H25 | C8 | H26 | 109.5° | 109.5° |
| H29 | C3 | H30 | 109.5° | 109.4° |
| H29 | C3 | H31 | 109.5° | 109.4° |
| H30 | C3 | H31 | 109.5° | 109.5° |
| H32 | C1 | H33 | 109.4° | 109.4° |
| H32 | C1 | H34 | 109.4° | 109.5° |
| H33 | C1 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | C1 | 115.8° | 120.0° |
| O2 | C2 | C3 | C4 | 118.3° | 120.0° |
| O2 | C2 | C1 | C4 | 118.8° | 120.1° |
| O2 | C2 | C4 | C8 | 63.3° | 65.0° |
| O2 | C2 | C4 | C5 | 65.0° | 175.3° |
| O2 | C2 | C4 | H27 | 179.2° | 55.1° |
| O2 | C2 | C3 | H29 | 180.0° | 180.0° |
| O2 | C2 | C3 | H30 | 60.0° | 60.0° |
| O2 | C2 | C3 | H31 | 60.0° | 60.0° |
| O2 | C2 | C1 | H32 | 180.0° | 60.0° |
| O2 | C2 | C1 | H33 | 60.0° | 59.9° |
| O2 | C2 | C1 | H34 | 60.0° | 180.0° |
| C3 | C2 | C1 | C4 | 125.7° | 120.0° |
| C3 | C2 | C4 | C8 | 54.0° | 175.0° |
| C3 | C2 | C4 | C5 | 177.7° | 55.3° |
| C3 | C2 | C4 | H27 | 61.9° | 64.9° |
| C3 | C2 | O2 | H28 | 180.0° | 60.0° |
| C2 | C3 | H29 | H30 | 120.0° | 120.0° |
| C2 | C3 | H29 | H31 | 120.0° | 120.1° |
| C2 | C3 | H30 | H31 | 120.0° | 120.1° |
| C3 | C2 | C1 | H32 | 64.5° | 180.0° |
| C3 | C2 | C1 | H33 | 175.5° | 60.1° |
| C3 | C2 | C1 | H34 | 55.5° | 60.0° |
| C1 | C2 | C4 | C8 | 178.7° | 55.0° |
| C1 | C2 | C4 | C5 | 53.0° | 64.6° |
| C1 | C2 | C4 | H27 | 62.8° | 175.1° |
| C1 | C2 | O2 | H28 | 62.1° | 180.0° |
| C1 | C2 | C3 | H29 | 64.3° | 60.0° |
| C1 | C2 | C3 | H30 | 55.8° | 60.0° |
| C1 | C2 | C3 | H31 | 175.8° | 180.0° |
| C2 | C1 | H32 | H33 | 120.0° | 119.9° |
| C2 | C1 | H32 | H34 | 120.0° | 120.0° |
| C2 | C1 | H33 | H34 | 120.0° | 120.1° |
| C2 | C4 | C8 | C5 | 129.3° | 119.9° |
| C2 | C4 | C8 | H27 | 115.7° | 120.2° |
| C2 | C4 | C5 | H27 | 115.8° | 120.3° |
| C2 | C4 | C8 | C7 | 169.0° | 177.5° |
| C2 | C4 | C5 | C6 | 167.5° | 177.5° |
| C2 | C4 | C5 | H21 | 46.8° | 62.5° |
| C2 | C4 | C5 | H22 | 71.8° | 57.6° |
| C2 | C4 | C8 | H25 | 70.3° | 57.6° |
| C2 | C4 | C8 | H26 | 48.4° | 62.5° |
| C4 | C2 | O2 | H28 | 59.3° | 59.9° |
| C4 | C2 | C3 | H29 | 61.6° | 60.0° |
| C4 | C2 | C3 | H30 | 178.3° | 180.0° |
| C4 | C2 | C3 | H31 | 58.3° | 60.0° |
| C4 | C2 | C1 | H32 | 61.2° | 60.0° |
| C4 | C2 | C1 | H33 | 58.8° | 180.0° |
| C4 | C2 | C1 | H34 | 178.8° | 60.0° |
| F | C24 | C23 | C17 | 179.8° | 179.7° |
| F | C24 | C23 | C22 | 177.7° | 180.0° |
| F | C24 | C17 | C16 | 12.5° | 0.0° |
| F | C24 | C17 | C18 | 178.2° | 179.7° |
| F | C24 | C23 | H1 | 2.3° | 0.0° |
| C24 | C23 | C22 | H1 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C23 | C24 | C17 | C16 | 167.3° | 179.7° |
| C23 | C24 | C17 | C18 | 1.6° | 0.5° |
| C24 | C23 | C22 | H2 | 179.7° | 180.0° |
| C22 | C23 | C24 | C17 | 2.1° | 0.3° |
| C23 | C22 | C21 | H2 | 180.0° | 180.0° |
| C23 | C22 | C21 | C18 | 1.8° | 0.0° |
| C23 | C22 | C21 | N5 | 172.3° | 180.0° |
| C8 | C4 | C5 | H27 | 115.0° | 119.9° |
| C4 | C8 | C7 | H25 | 120.7° | 119.9° |
| C4 | C8 | C7 | H26 | 120.7° | 120.0° |
| C8 | C4 | C5 | C6 | 38.2° | 57.7° |
| C4 | C8 | C7 | N1 | 55.3° | 59.2° |
| C8 | C4 | C5 | H21 | 82.5° | 177.6° |
| C8 | C4 | C5 | H22 | 159.0° | 62.3° |
| C4 | C8 | C7 | H23 | 64.7° | 179.2° |
| C4 | C8 | C7 | H24 | 175.4° | 60.8° |
| C4 | C8 | H25 | H26 | 117.9° | 120.1° |
| C5 | C4 | C8 | C7 | 39.7° | 57.6° |
| C4 | C5 | C6 | H21 | 120.7° | 119.9° |
| C4 | C5 | C6 | H22 | 120.7° | 119.9° |
| C4 | C5 | C6 | N1 | 51.9° | 59.2° |
| C4 | C5 | C6 | H19 | 172.0° | 60.8° |
| C4 | C5 | C6 | H20 | 68.1° | 179.2° |
| C4 | C5 | H21 | H22 | 117.8° | 120.1° |
| C5 | C4 | C8 | H25 | 160.4° | 62.3° |
| C5 | C4 | C8 | H26 | 80.9° | 177.6° |
| C8 | C7 | N1 | H23 | 120.0° | 120.0° |
| C8 | C7 | N1 | H24 | 120.0° | 120.0° |
| C8 | C7 | N1 | C6 | 68.2° | 61.7° |
| C8 | C7 | N1 | C9 | 167.1° | 174.1° |
| C8 | C7 | H23 | H24 | 119.9° | 120.0° |
| C7 | C8 | H25 | H26 | 117.9° | 120.1° |
| C7 | C8 | C4 | H27 | 75.2° | 62.3° |
| C24 | C17 | C16 | N4 | 23.3° | 179.7° |
| C24 | C17 | C16 | C18 | 164.8° | 179.7° |
| C24 | C17 | C16 | N3 | 149.9° | 0.0° |
| C24 | C17 | C18 | C21 | 0.5° | 0.5° |
| C24 | C17 | C18 | C19 | 172.6° | 179.8° |
| C17 | C24 | C23 | H1 | 177.9° | 179.7° |
| C5 | C6 | N1 | C7 | 66.4° | 61.7° |
| C5 | C6 | N1 | H19 | 120.0° | 120.0° |
| C5 | C6 | N1 | H20 | 120.1° | 120.0° |
| C5 | C6 | N1 | C9 | 169.3° | 174.1° |
| C5 | C6 | H19 | H20 | 119.8° | 120.0° |
| C6 | C5 | H21 | H22 | 117.8° | 120.1° |
| C6 | C5 | C4 | H27 | 76.7° | 62.2° |
| C22 | C21 | C18 | C17 | 2.2° | 0.3° |
| C22 | C21 | C18 | N5 | 175.3° | 180.0° |
| C22 | C21 | C18 | C19 | 175.9° | 179.9° |
| C22 | C21 | N5 | C20 | 174.6° | 180.0° |
| C21 | C22 | C23 | H1 | 179.7° | 180.0° |
| C22 | C21 | N5 | H3 | 5.4° | 0.0° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C12 | C13 | N4 | C14 | 175.7° | 180.0° |
| C12 | C13 | N4 | C16 | 171.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C12 | C13 | C14 | N2 | 0.4° | 0.0° |
| C12 | C13 | C14 | C15 | 175.3° | 179.7° |
| C13 | C12 | C11 | H7 | 179.5° | 179.9° |
| C11 | C12 | C13 | N4 | 175.4° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | N2 | 0.1° | 0.0° |
| C12 | C11 | C10 | C9 | 179.4° | 180.0° |
| C13 | N4 | C16 | C17 | 176.7° | 180.0° |
| C13 | N4 | C16 | N3 | 4.3° | 0.3° |
| N4 | C13 | C14 | N2 | 176.0° | 180.0° |
| N4 | C13 | C14 | C15 | 0.3° | 0.3° |
| N4 | C13 | C12 | H6 | 4.6° | 0.0° |
| N4 | C16 | C17 | N3 | 173.1° | 179.7° |
| N4 | C16 | C17 | C18 | 141.5° | 0.5° |
| C16 | N4 | C13 | C14 | 3.7° | 0.0° |
| N4 | C16 | N3 | C15 | 1.2° | 0.3° |
| C16 | C17 | C18 | C21 | 165.4° | 179.7° |
| C16 | C17 | C18 | C19 | 6.7° | 0.0° |
| C17 | C16 | N3 | C15 | 173.7° | 180.0° |
| C18 | C17 | C16 | N3 | 45.4° | 179.7° |
| C17 | C18 | C21 | C19 | 173.7° | 179.8° |
| C17 | C18 | C21 | N5 | 173.1° | 179.7° |
| C17 | C18 | C19 | C20 | 171.9° | 179.7° |
| C17 | C18 | C19 | H5 | 8.1° | 0.2° |
| C7 | N1 | C6 | C9 | 124.2° | 124.2° |
| C7 | N1 | C9 | C10 | 77.6° | 65.8° |
| C7 | N1 | C9 | H16 | 161.9° | 54.2° |
| C7 | N1 | C9 | H17 | 42.8° | 174.2° |
| C7 | N1 | C6 | H19 | 173.5° | 58.3° |
| C7 | N1 | C6 | H20 | 53.6° | 178.3° |
| N1 | C7 | H23 | H24 | 119.9° | 119.9° |
| N1 | C7 | C8 | H25 | 176.0° | 60.7° |
| N1 | C7 | C8 | H26 | 65.3° | 179.2° |
| C13 | C14 | N2 | C10 | 1.1° | 0.0° |
| C13 | C14 | N2 | C15 | 175.2° | 179.7° |
| C13 | C14 | C15 | N3 | 2.9° | 0.3° |
| C13 | C14 | C15 | N6 | 175.9° | 179.7° |
| C14 | C13 | C12 | H6 | 179.6° | 179.9° |
| C11 | C10 | C9 | N1 | 80.6° | 95.0° |
| C11 | C10 | N2 | C9 | 179.5° | 180.0° |
| C11 | C10 | N2 | C14 | 1.0° | 0.0° |
| C10 | C11 | C12 | H6 | 179.4° | 179.9° |
| C11 | C10 | C9 | H16 | 39.9° | 145.0° |
| C11 | C10 | C9 | H17 | 158.9° | 25.0° |
| C6 | N1 | C9 | C10 | 160.2° | 170.0° |
| C6 | N1 | C9 | H16 | 39.7° | 70.1° |
| C6 | N1 | C9 | H17 | 79.3° | 49.9° |
| N1 | C6 | H19 | H20 | 119.8° | 120.0° |
| N1 | C6 | C5 | H21 | 68.8° | 179.1° |
| N1 | C6 | C5 | H22 | 172.7° | 60.8° |
| C6 | N1 | C7 | H23 | 51.8° | 178.3° |
| C6 | N1 | C7 | H24 | 171.8° | 58.3° |
| N1 | C9 | C10 | N2 | 99.8° | 85.0° |
| N1 | C9 | C10 | H16 | 120.5° | 120.0° |
| N1 | C9 | C10 | H17 | 120.5° | 120.0° |
| N1 | C9 | H16 | H17 | 118.5° | 120.0° |
| C9 | N1 | C6 | H19 | 49.3° | 65.9° |
| C9 | N1 | C6 | H20 | 70.6° | 54.1° |
| C9 | N1 | C7 | H23 | 72.9° | 54.1° |
| C9 | N1 | C7 | H24 | 47.1° | 65.9° |
| C16 | N3 | C15 | C14 | 2.6° | 0.0° |
| C16 | N3 | C15 | N6 | 176.3° | 180.0° |
| C18 | C21 | N5 | C20 | 0.0° | 0.0° |
| C21 | C18 | C19 | C20 | 1.0° | 0.0° |
| C18 | C21 | C22 | H2 | 178.2° | 180.0° |
| C18 | C21 | N5 | H3 | 179.9° | 180.0° |
| C21 | C18 | C19 | H5 | 179.0° | 179.9° |
| N5 | C21 | C18 | C19 | 0.6° | 0.0° |
| C21 | N5 | C20 | H3 | 180.0° | 179.9° |
| C21 | N5 | C20 | C19 | 0.7° | 0.0° |
| N5 | C21 | C22 | H2 | 7.7° | 0.0° |
| C21 | N5 | C20 | H4 | 179.3° | 180.0° |
| C10 | N2 | C14 | C15 | 174.1° | 179.7° |
| N2 | C10 | C11 | H7 | 179.9° | 179.9° |
| N2 | C10 | C9 | H16 | 139.7° | 35.0° |
| N2 | C10 | C9 | H17 | 20.7° | 155.0° |
| C9 | C10 | N2 | C14 | 178.5° | 180.0° |
| C9 | C10 | C11 | H7 | 0.7° | 0.1° |
| C10 | C9 | H16 | H17 | 118.4° | 120.0° |
| N2 | C14 | C15 | N3 | 172.4° | 180.0° |
| N2 | C14 | C15 | N6 | 8.8° | 0.0° |
| C14 | C15 | N3 | N6 | 178.9° | 180.0° |
| C14 | C15 | N6 | C28 | 24.6° | 56.4° |
| C14 | C15 | N6 | C25 | 173.6° | 180.0° |
| C18 | C19 | C20 | N5 | 1.0° | 0.0° |
| C18 | C19 | C20 | H5 | 180.0° | 179.9° |
| C18 | C19 | C20 | H4 | 178.9° | 180.0° |
| N3 | C15 | N6 | C28 | 154.2° | 123.6° |
| N3 | C15 | N6 | C25 | 7.6° | 0.0° |
| C15 | N6 | C28 | C25 | 163.0° | 123.7° |
| C15 | N6 | C28 | C27 | 143.1° | 177.7° |
| C15 | N6 | C25 | C26 | 142.0° | 177.6° |
| C15 | N6 | C28 | H8 | 23.1° | 57.7° |
| C15 | N6 | C28 | H9 | 96.9° | 62.4° |
| C15 | N6 | C25 | H14 | 98.1° | 62.5° |
| C15 | N6 | C25 | H15 | 22.0° | 57.7° |
| N5 | C20 | C19 | H4 | 180.0° | 180.0° |
| N5 | C20 | C19 | H5 | 179.0° | 179.9° |
| N6 | C28 | C27 | H8 | 120.0° | 120.0° |
| N6 | C28 | C27 | H9 | 120.0° | 120.0° |
| C28 | N6 | C25 | C26 | 54.3° | 58.6° |
| N6 | C28 | C27 | O1 | 55.1° | 56.8° |
| N6 | C28 | H8 | H9 | 120.0° | 120.1° |
| N6 | C28 | C27 | H10 | 65.2° | 63.1° |
| N6 | C28 | C27 | H11 | 175.5° | 176.8° |
| C28 | N6 | C25 | H14 | 65.6° | 61.3° |
| C28 | N6 | C25 | H15 | 174.3° | 178.5° |
| C27 | C28 | N6 | C25 | 53.9° | 58.6° |
| C28 | C27 | O1 | H10 | 120.3° | 119.9° |
| C28 | C27 | O1 | H11 | 120.3° | 120.0° |
| C28 | C27 | O1 | C26 | 58.5° | 58.7° |
| C27 | C28 | H8 | H9 | 120.1° | 120.0° |
| C28 | C27 | H10 | H11 | 119.1° | 120.1° |
| N6 | C25 | C26 | H14 | 119.9° | 119.9° |
| N6 | C25 | C26 | H15 | 120.0° | 119.9° |
| N6 | C25 | C26 | O1 | 56.1° | 56.9° |
| C25 | N6 | C28 | H8 | 173.9° | 178.6° |
| C25 | N6 | C28 | H9 | 66.1° | 61.4° |
| N6 | C25 | C26 | H12 | 176.4° | 63.1° |
| N6 | C25 | C26 | H13 | 64.2° | 176.8° |
| N6 | C25 | H14 | H15 | 120.1° | 120.1° |
| C19 | C20 | N5 | H3 | 179.3° | 179.9° |
| C25 | C26 | O1 | C27 | 59.0° | 58.7° |
| C25 | C26 | O1 | H12 | 120.4° | 119.9° |
| C25 | C26 | O1 | H13 | 120.3° | 120.0° |
| C25 | C26 | H12 | H13 | 119.0° | 120.1° |
| C26 | C25 | H14 | H15 | 120.1° | 120.1° |
| O1 | C27 | C28 | H8 | 175.1° | 176.8° |
| O1 | C27 | C28 | H9 | 64.8° | 63.1° |
| O1 | C27 | H10 | H11 | 119.0° | 120.1° |
| C27 | O1 | C26 | H12 | 179.4° | 61.2° |
| C27 | O1 | C26 | H13 | 61.3° | 178.7° |
| C26 | O1 | C27 | H10 | 61.9° | 61.2° |
| C26 | O1 | C27 | H11 | 178.8° | 178.7° |
| O1 | C26 | H12 | H13 | 119.0° | 120.1° |
| O1 | C26 | C25 | H14 | 63.8° | 63.1° |
| O1 | C26 | C25 | H15 | 176.1° | 176.8° |
| H1 | C23 | C22 | H2 | 0.3° | 0.0° |
| H3 | N5 | C20 | H4 | 0.7° | 0.1° |
| H4 | C20 | C19 | H5 | 1.0° | 0.1° |
| H6 | C12 | C11 | H7 | 0.6° | 0.0° |
| H8 | C28 | C27 | H10 | 54.8° | 56.9° |
| H8 | C28 | C27 | H11 | 64.6° | 63.2° |
| H9 | C28 | C27 | H10 | 174.9° | 177.0° |
| H9 | C28 | C27 | H11 | 55.5° | 56.8° |
| H12 | C26 | C25 | H14 | 56.5° | 177.0° |
| H12 | C26 | C25 | H15 | 63.6° | 56.9° |
| H13 | C26 | C25 | H14 | 175.9° | 56.9° |
| H13 | C26 | C25 | H15 | 55.8° | 63.2° |
| H19 | C6 | C5 | H21 | 51.3° | 59.1° |
| H19 | C6 | C5 | H22 | 67.3° | 179.3° |
| H20 | C6 | C5 | H21 | 171.1° | 60.9° |
| H20 | C6 | C5 | H22 | 52.6° | 59.2° |
| H21 | C5 | C4 | H27 | 162.5° | 57.7° |
| H22 | C5 | C4 | H27 | 44.0° | 177.8° |
| H23 | C7 | C8 | H25 | 56.0° | 59.3° |
| H23 | C7 | C8 | H26 | 174.7° | 60.8° |
| H24 | C7 | C8 | H25 | 64.0° | 179.3° |
| H24 | C7 | C8 | H26 | 54.7° | 59.2° |
| H25 | C8 | C4 | H27 | 45.5° | 177.8° |
| H26 | C8 | C4 | H27 | 164.1° | 57.7° |
| H29 | C3 | H30 | H31 | 120.0° | 119.9° |
| H32 | C1 | H33 | H34 | 120.0° | 120.0° |
