S74
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C21 | sing | 1.51Å | 1.47Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C21 | C20 | sing | 1.53Å | 1.50Å | |
| C22 | C29 | sing | 1.51Å | 1.47Å | |
| C22 | C20 | sing | 1.53Å | 1.49Å | |
| C29 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | N2 | sing | 1.46Å | 1.42Å | |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C3 | sing | 1.35Å | 1.38Å | |
| C3 | O7 | doub | 1.22Å | 1.22Å | |
| C3 | N5 | sing | 1.35Å | 1.39Å | |
| C8 | N5 | sing | 1.47Å | 1.45Å | |
| C8 | C19 | sing | 1.53Å | 1.51Å | |
| N5 | C6 | sing | 1.47Å | 1.44Å | |
| C19 | C4 | sing | 1.53Å | 1.51Å | |
| C6 | C1 | sing | 1.53Å | 1.50Å | |
| C1 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O9 | sing | 1.43Å | 1.43Å | |
| O9 | C10 | sing | 1.36Å | 1.40Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | O36 | doub | 1.21Å | 1.26Å | |
| C18 | O35 | sing | 1.34Å | 1.26Å | |
| C26 | H1 | sing | 1.08Å | 1.08Å | |
| C32 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C27 | H4 | sing | 1.08Å | 1.08Å | |
| C31 | H5 | sing | 1.08Å | 1.08Å | |
| C33 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| C34 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| N2 | H31 | sing | 0.97Å | 1.00Å | |
| O35 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C27 | C28 | C23 | 121.8° | 120.0° |
| C28 | C27 | H4 | 120.1° | 120.0° |
| C27 | C28 | H8 | 119.1° | 120.0° |
| C27 | C26 | C25 | 119.2° | 120.0° |
| C27 | C26 | H1 | 120.4° | 120.0° |
| C26 | C27 | H4 | 120.1° | 120.0° |
| C28 | C23 | C21 | 118.9° | 120.0° |
| C28 | C23 | C24 | 117.6° | 120.0° |
| C23 | C28 | H8 | 119.1° | 120.0° |
| C26 | C25 | C24 | 120.4° | 120.0° |
| C25 | C26 | H1 | 120.4° | 120.1° |
| C26 | C25 | H3 | 119.8° | 120.0° |
| C21 | C23 | C24 | 123.5° | 120.0° |
| C23 | C21 | C22 | 120.2° | 117.5° |
| C23 | C21 | C20 | 121.8° | 117.5° |
| C23 | C21 | H23 | 115.0° | 115.5° |
| C23 | C24 | C25 | 121.2° | 120.0° |
| C23 | C24 | H7 | 119.4° | 120.0° |
| C24 | C25 | H3 | 119.8° | 120.0° |
| C25 | C24 | H7 | 119.4° | 120.0° |
| C31 | C30 | C29 | 121.6° | 120.0° |
| C30 | C31 | C32 | 119.9° | 120.1° |
| C30 | C31 | H5 | 120.1° | 120.0° |
| C31 | C30 | H9 | 119.1° | 120.0° |
| C30 | C29 | C22 | 121.7° | 120.0° |
| C30 | C29 | C34 | 117.8° | 120.0° |
| C29 | C30 | H9 | 119.2° | 120.0° |
| C31 | C32 | C33 | 119.2° | 119.9° |
| C31 | C32 | H2 | 120.4° | 120.1° |
| C32 | C31 | H5 | 120.0° | 119.9° |
| C22 | C21 | C20 | 59.6° | 60.0° |
| C21 | C22 | C29 | 125.1° | 117.5° |
| C21 | C22 | C20 | 60.3° | 60.0° |
| C22 | C21 | H23 | 114.5° | 117.5° |
| C21 | C22 | H24 | 113.9° | 117.5° |
| C21 | C20 | C22 | 60.1° | 60.0° |
| C21 | C20 | N2 | 121.4° | 117.5° |
| C20 | C21 | H23 | 114.5° | 117.5° |
| C21 | C20 | H25 | 114.5° | 117.5° |
| C29 | C22 | C20 | 118.4° | 117.5° |
| C22 | C29 | C34 | 120.5° | 120.1° |
| C29 | C22 | H24 | 114.3° | 115.6° |
| C22 | C20 | N2 | 118.3° | 117.5° |
| C20 | C22 | H24 | 114.0° | 117.5° |
| C22 | C20 | H25 | 114.7° | 117.4° |
| C29 | C34 | C33 | 121.0° | 120.0° |
| C29 | C34 | H10 | 119.5° | 120.0° |
| C32 | C33 | C34 | 120.4° | 120.0° |
| C33 | C32 | H2 | 120.4° | 120.0° |
| C32 | C33 | H6 | 119.8° | 120.0° |
| C20 | N2 | C3 | 120.9° | 120.0° |
| N2 | C20 | H25 | 116.0° | 115.6° |
| C20 | N2 | H31 | 119.6° | 120.0° |
| C34 | C33 | H6 | 119.8° | 120.0° |
| C33 | C34 | H10 | 119.5° | 120.0° |
| N2 | C3 | O7 | 121.1° | 120.0° |
| N2 | C3 | N5 | 117.9° | 120.0° |
| C3 | N2 | H31 | 119.5° | 120.0° |
| O7 | C3 | N5 | 121.0° | 120.0° |
| C3 | N5 | C8 | 122.5° | 120.6° |
| C3 | N5 | C6 | 117.0° | 120.6° |
| N5 | C8 | C19 | 116.4° | 108.8° |
| C8 | N5 | C6 | 116.4° | 118.8° |
| N5 | C8 | H21 | 107.7° | 109.6° |
| N5 | C8 | H22 | 107.7° | 109.6° |
| C8 | C19 | C4 | 113.8° | 109.4° |
| C8 | C19 | H17 | 108.4° | 109.5° |
| C8 | C19 | H18 | 108.4° | 109.5° |
| C19 | C8 | H21 | 107.7° | 109.6° |
| C19 | C8 | H22 | 107.7° | 109.6° |
| N5 | C6 | C1 | 111.4° | 108.7° |
| N5 | C6 | H19 | 109.0° | 109.6° |
| N5 | C6 | H20 | 109.0° | 109.7° |
| C19 | C4 | C1 | 108.4° | 109.5° |
| C19 | C4 | O9 | 107.4° | 109.5° |
| C4 | C19 | H17 | 108.4° | 109.5° |
| C4 | C19 | H18 | 108.4° | 109.5° |
| C19 | C4 | H26 | 109.3° | 109.4° |
| C6 | C1 | C4 | 111.0° | 109.3° |
| C6 | C1 | H15 | 109.1° | 109.5° |
| C6 | C1 | H16 | 109.1° | 109.5° |
| C1 | C6 | H19 | 109.0° | 109.6° |
| C1 | C6 | H20 | 109.0° | 109.6° |
| C1 | C4 | O9 | 111.8° | 109.5° |
| C4 | C1 | H15 | 109.1° | 109.5° |
| C4 | C1 | H16 | 109.1° | 109.5° |
| C1 | C4 | H26 | 109.3° | 109.5° |
| C4 | O9 | C10 | 114.6° | 117.0° |
| O9 | C4 | H26 | 110.5° | 109.5° |
| O9 | C10 | C11 | 126.1° | 120.0° |
| O9 | C10 | C15 | 114.9° | 120.1° |
| C11 | C10 | C15 | 119.0° | 119.9° |
| C10 | C11 | C12 | 120.0° | 119.9° |
| C10 | C11 | H13 | 120.0° | 120.0° |
| C10 | C15 | C14 | 120.9° | 120.0° |
| C10 | C15 | H14 | 119.6° | 120.0° |
| C11 | C12 | C13 | 120.6° | 120.1° |
| C11 | C12 | H11 | 119.7° | 119.9° |
| C12 | C11 | H13 | 120.0° | 120.1° |
| C15 | C14 | C13 | 120.2° | 120.1° |
| C15 | C14 | H12 | 119.9° | 120.0° |
| C14 | C15 | H14 | 119.5° | 120.0° |
| C12 | C13 | C14 | 119.3° | 120.1° |
| C12 | C13 | C16 | 120.9° | 120.0° |
| C13 | C12 | H11 | 119.7° | 120.0° |
| C14 | C13 | C16 | 119.9° | 119.9° |
| C13 | C14 | H12 | 119.9° | 120.0° |
| C13 | C16 | C17 | 109.5° | 109.4° |
| C13 | C16 | H27 | 109.5° | 109.5° |
| C13 | C16 | H28 | 109.4° | 109.4° |
| C16 | C17 | C18 | 102.9° | 109.4° |
| C17 | C16 | H27 | 109.4° | 109.5° |
| C17 | C16 | H28 | 109.5° | 109.5° |
| C16 | C17 | H29 | 111.1° | 109.5° |
| C16 | C17 | H30 | 111.1° | 109.5° |
| C17 | C18 | O36 | 116.2° | 120.0° |
| C17 | C18 | O35 | 114.4° | 119.9° |
| C18 | C17 | H29 | 111.1° | 109.5° |
| C18 | C17 | H30 | 111.1° | 109.5° |
| O36 | C18 | O35 | 129.4° | 120.1° |
| C18 | O35 | H32 | 109.5° | 116.9° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C6 | H20 | 109.5° | 109.6° |
| H21 | C8 | H22 | 109.5° | 109.7° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H29 | C17 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H4 | 180.0° | 179.9° |
| C27 | C28 | C23 | H8 | 180.0° | 179.5° |
| C28 | C27 | C26 | C25 | 0.0° | 0.1° |
| C27 | C28 | C23 | C21 | 180.0° | 179.9° |
| C27 | C28 | C23 | C24 | 0.2° | 0.8° |
| C28 | C27 | C26 | H1 | 180.0° | 179.7° |
| C26 | C27 | C28 | C23 | 0.1° | 0.5° |
| C27 | C26 | C25 | H1 | 180.0° | 179.7° |
| C27 | C26 | C25 | C24 | 0.1° | 0.3° |
| C27 | C26 | C25 | H3 | 179.9° | 179.6° |
| C26 | C27 | C28 | H8 | 179.9° | 180.0° |
| C28 | C23 | C21 | C24 | 179.8° | 179.1° |
| C28 | C23 | C24 | C25 | 0.3° | 0.6° |
| C28 | C23 | C21 | C22 | 90.3° | 114.4° |
| C28 | C23 | C21 | C20 | 161.2° | 177.0° |
| C23 | C28 | C27 | H4 | 179.9° | 179.5° |
| C28 | C23 | C24 | H7 | 179.7° | 179.5° |
| C28 | C23 | C21 | H23 | 52.9° | 31.2° |
| C26 | C25 | C24 | C23 | 0.2° | 0.0° |
| C26 | C25 | C24 | H3 | 180.0° | 179.9° |
| C25 | C26 | C27 | H4 | 180.0° | 180.0° |
| C26 | C25 | C24 | H7 | 179.8° | 180.0° |
| C21 | C23 | C24 | C25 | 180.0° | 179.7° |
| C23 | C21 | C22 | C20 | 111.5° | 107.5° |
| C23 | C21 | C22 | H23 | 143.4° | 144.9° |
| C23 | C21 | C20 | H23 | 146.0° | 145.1° |
| C23 | C21 | C22 | C29 | 5.9° | 0.0° |
| C23 | C21 | C20 | N2 | 144.3° | 145.1° |
| C21 | C23 | C24 | H7 | 0.1° | 0.3° |
| C21 | C23 | C28 | H8 | 0.0° | 0.6° |
| C23 | C21 | C22 | H24 | 143.5° | 145.0° |
| C23 | C21 | C20 | H25 | 3.3° | 0.0° |
| C23 | C24 | C25 | H7 | 180.0° | 180.0° |
| C24 | C23 | C21 | C22 | 89.9° | 66.5° |
| C24 | C23 | C21 | C20 | 19.0° | 2.2° |
| C23 | C24 | C25 | H3 | 179.8° | 180.0° |
| C24 | C23 | C28 | H8 | 179.8° | 179.7° |
| C24 | C23 | C21 | H23 | 126.8° | 147.9° |
| C24 | C25 | C26 | H1 | 179.9° | 180.0° |
| C31 | C30 | C29 | H9 | 180.0° | 180.0° |
| C30 | C31 | C32 | H5 | 180.0° | 179.9° |
| C31 | C30 | C29 | C22 | 179.4° | 179.9° |
| C31 | C30 | C29 | C34 | 0.6° | 0.3° |
| C30 | C31 | C32 | C33 | 0.2° | 0.1° |
| C30 | C31 | C32 | H2 | 179.8° | 179.8° |
| C29 | C30 | C31 | C32 | 0.4° | 0.0° |
| C30 | C29 | C22 | C21 | 58.0° | 93.7° |
| C30 | C29 | C22 | C34 | 178.7° | 179.7° |
| C30 | C29 | C22 | C20 | 130.0° | 25.1° |
| C30 | C29 | C34 | C33 | 0.2° | 0.6° |
| C29 | C30 | C31 | H5 | 179.6° | 180.0° |
| C30 | C29 | C34 | H10 | 179.7° | 180.0° |
| C30 | C29 | C22 | H24 | 91.2° | 120.6° |
| C31 | C32 | C33 | H2 | 180.0° | 179.7° |
| C31 | C32 | C33 | C34 | 0.6° | 0.4° |
| C31 | C32 | C33 | H6 | 179.4° | 179.7° |
| C32 | C31 | C30 | H9 | 179.6° | 179.9° |
| C22 | C21 | C20 | H23 | 105.1° | 107.4° |
| C21 | C22 | C29 | C20 | 72.0° | 68.6° |
| C21 | C22 | C29 | H24 | 149.3° | 145.6° |
| C21 | C22 | C20 | H24 | 104.8° | 107.5° |
| C21 | C22 | C29 | C34 | 123.2° | 86.6° |
| C22 | C21 | C20 | N2 | 106.9° | 107.4° |
| C22 | C21 | C20 | H25 | 105.5° | 107.4° |
| C21 | C20 | N2 | H25 | 147.2° | 145.8° |
| C21 | C20 | N2 | C3 | 104.6° | 155.0° |
| C21 | C20 | N2 | H31 | 75.4° | 25.0° |
| C29 | C22 | C20 | H24 | 138.8° | 145.1° |
| C29 | C22 | C20 | N2 | 131.7° | 145.1° |
| C22 | C29 | C34 | C33 | 179.0° | 179.8° |
| C22 | C29 | C30 | H9 | 0.6° | 0.0° |
| C22 | C29 | C34 | H10 | 1.0° | 0.3° |
| C29 | C22 | C21 | H23 | 149.3° | 144.9° |
| C29 | C22 | C20 | H25 | 11.1° | 0.1° |
| C20 | C22 | C29 | C34 | 51.2° | 155.2° |
| C22 | C20 | N2 | H25 | 142.3° | 145.6° |
| C22 | C20 | N2 | C3 | 175.1° | 136.4° |
| C22 | C20 | N2 | H31 | 4.9° | 43.7° |
| C29 | C34 | C33 | C32 | 0.4° | 0.6° |
| C29 | C34 | C33 | H10 | 180.0° | 179.5° |
| C29 | C34 | C33 | H6 | 179.7° | 179.5° |
| C34 | C29 | C30 | H9 | 179.4° | 179.7° |
| C34 | C29 | C22 | H24 | 87.5° | 59.0° |
| C32 | C33 | C34 | H6 | 180.0° | 179.9° |
| C33 | C32 | C31 | H5 | 179.7° | 180.0° |
| C32 | C33 | C34 | H10 | 179.7° | 179.9° |
| C20 | N2 | C3 | H31 | 180.0° | 179.9° |
| C20 | N2 | C3 | O7 | 6.5° | 4.9° |
| C20 | N2 | C3 | N5 | 173.0° | 175.1° |
| N2 | C20 | C21 | H23 | 1.7° | 0.0° |
| N2 | C20 | C22 | H24 | 7.1° | 0.0° |
| C34 | C33 | C32 | H2 | 179.4° | 179.9° |
| N2 | C3 | O7 | N5 | 179.5° | 180.0° |
| N2 | C3 | N5 | C8 | 5.9° | 174.2° |
| N2 | C3 | N5 | C6 | 150.5° | 5.7° |
| C3 | N2 | C20 | H25 | 42.5° | 9.2° |
| O7 | C3 | N5 | C8 | 174.5° | 5.8° |
| O7 | C3 | N5 | C6 | 29.0° | 174.3° |
| O7 | C3 | N2 | H31 | 173.5° | 175.0° |
| C3 | N5 | C8 | C6 | 156.6° | 179.9° |
| C3 | N5 | C8 | C19 | 164.9° | 126.5° |
| C3 | N5 | C6 | C1 | 153.9° | 126.4° |
| C3 | N5 | C6 | H19 | 85.8° | 113.8° |
| C3 | N5 | C6 | H20 | 33.6° | 6.6° |
| C3 | N5 | C8 | H21 | 43.9° | 6.7° |
| C3 | N5 | C8 | H22 | 74.1° | 113.8° |
| N5 | C3 | N2 | H31 | 7.0° | 5.0° |
| N5 | C8 | C19 | H21 | 121.0° | 119.8° |
| N5 | C8 | C19 | H22 | 121.0° | 119.7° |
| N5 | C8 | C19 | C4 | 39.2° | 54.6° |
| C8 | N5 | C6 | C1 | 48.2° | 53.7° |
| N5 | C8 | C19 | H17 | 81.5° | 174.6° |
| N5 | C8 | C19 | H18 | 159.8° | 65.4° |
| C8 | N5 | C6 | H19 | 72.1° | 66.1° |
| C8 | N5 | C6 | H20 | 168.4° | 173.5° |
| N5 | C8 | H21 | H22 | 116.9° | 120.4° |
| C19 | C8 | N5 | C6 | 38.5° | 53.6° |
| C8 | C19 | C4 | H17 | 120.6° | 120.0° |
| C8 | C19 | C4 | H18 | 120.6° | 120.0° |
| C8 | C19 | C4 | C1 | 48.9° | 61.3° |
| C8 | C19 | C4 | O9 | 72.1° | 178.6° |
| C8 | C19 | H17 | H18 | 118.0° | 120.1° |
| C19 | C8 | H21 | H22 | 116.8° | 120.4° |
| C8 | C19 | C4 | H26 | 168.0° | 58.7° |
| N5 | C6 | C1 | H19 | 120.3° | 119.8° |
| N5 | C6 | C1 | H20 | 120.3° | 119.9° |
| N5 | C6 | C1 | C4 | 59.7° | 54.7° |
| N5 | C6 | C1 | H15 | 179.9° | 65.3° |
| N5 | C6 | C1 | H16 | 60.6° | 174.6° |
| N5 | C6 | H19 | H20 | 119.2° | 120.4° |
| C6 | N5 | C8 | H21 | 159.5° | 173.4° |
| C6 | N5 | C8 | H22 | 82.5° | 66.1° |
| C19 | C4 | C1 | C6 | 59.6° | 61.4° |
| C19 | C4 | C1 | O9 | 118.2° | 120.0° |
| C19 | C4 | C1 | H26 | 119.0° | 120.0° |
| C19 | C4 | O9 | H26 | 119.2° | 119.9° |
| C19 | C4 | O9 | C10 | 156.8° | 84.9° |
| C19 | C4 | C1 | H15 | 179.9° | 58.6° |
| C19 | C4 | C1 | H16 | 60.6° | 178.7° |
| C4 | C19 | H17 | H18 | 118.0° | 120.0° |
| C4 | C19 | C8 | H21 | 160.2° | 174.4° |
| C4 | C19 | C8 | H22 | 81.8° | 65.1° |
| C6 | C1 | C4 | H15 | 120.2° | 120.0° |
| C6 | C1 | C4 | H16 | 120.3° | 120.0° |
| C6 | C1 | C4 | O9 | 58.6° | 178.6° |
| C6 | C1 | H15 | H16 | 119.3° | 120.1° |
| C1 | C6 | H19 | H20 | 119.1° | 120.3° |
| C6 | C1 | C4 | H26 | 178.7° | 58.6° |
| C1 | C4 | O9 | H26 | 122.1° | 120.0° |
| C1 | C4 | O9 | C10 | 84.4° | 155.1° |
| C4 | C1 | H15 | H16 | 119.3° | 120.0° |
| C1 | C4 | C19 | H17 | 71.7° | 178.7° |
| C1 | C4 | C19 | H18 | 169.5° | 58.7° |
| C4 | C1 | C6 | H19 | 60.6° | 65.1° |
| C4 | C1 | C6 | H20 | 180.0° | 174.5° |
| C4 | O9 | C10 | C11 | 11.4° | 5.5° |
| C4 | O9 | C10 | C15 | 169.1° | 174.5° |
| O9 | C4 | C1 | H15 | 61.6° | 61.4° |
| O9 | C4 | C1 | H16 | 178.8° | 58.7° |
| O9 | C4 | C19 | H17 | 167.3° | 58.7° |
| O9 | C4 | C19 | H18 | 48.6° | 61.3° |
| O9 | C10 | C11 | C15 | 179.5° | 180.0° |
| O9 | C10 | C11 | C12 | 179.8° | 180.0° |
| O9 | C10 | C15 | C14 | 179.7° | 179.7° |
| O9 | C10 | C11 | H13 | 0.2° | 0.0° |
| O9 | C10 | C15 | H14 | 0.2° | 0.3° |
| C10 | O9 | C4 | H26 | 37.6° | 35.0° |
| C10 | C11 | C12 | H13 | 180.0° | 180.0° |
| C11 | C10 | C15 | C14 | 0.2° | 0.3° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | H11 | 179.7° | 179.7° |
| C11 | C10 | C15 | H14 | 179.8° | 179.7° |
| C15 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C15 | C14 | H14 | 180.0° | 179.5° |
| C10 | C15 | C14 | C13 | 0.0° | 0.5° |
| C10 | C15 | C14 | H12 | 180.0° | 180.0° |
| C15 | C10 | C11 | H13 | 179.7° | 180.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C11 | C12 | C13 | C16 | 179.9° | 179.7° |
| C15 | C14 | C13 | C12 | 0.1° | 0.4° |
| C15 | C14 | C13 | H12 | 180.0° | 179.5° |
| C15 | C14 | C13 | C16 | 179.8° | 179.4° |
| C12 | C13 | C14 | C16 | 179.8° | 179.9° |
| C12 | C13 | C16 | C17 | 59.8° | 90.0° |
| C12 | C13 | C14 | H12 | 179.9° | 180.0° |
| C13 | C12 | C11 | H13 | 179.7° | 180.0° |
| C12 | C13 | C16 | H27 | 60.2° | 150.0° |
| C12 | C13 | C16 | H28 | 179.8° | 30.0° |
| C14 | C13 | C16 | C17 | 120.4° | 90.1° |
| C14 | C13 | C12 | H11 | 179.9° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C14 | C13 | C16 | H27 | 119.6° | 29.9° |
| C14 | C13 | C16 | H28 | 0.4° | 149.9° |
| C13 | C16 | C17 | H27 | 120.0° | 120.0° |
| C13 | C16 | C17 | H28 | 120.0° | 119.9° |
| C13 | C16 | C17 | C18 | 169.5° | 180.0° |
| C16 | C13 | C12 | H11 | 0.1° | 0.0° |
| C16 | C13 | C14 | H12 | 0.2° | 0.1° |
| C13 | C16 | H27 | H28 | 120.0° | 120.0° |
| C13 | C16 | C17 | H29 | 50.6° | 60.1° |
| C13 | C16 | C17 | H30 | 71.5° | 60.0° |
| C16 | C17 | C18 | H29 | 118.9° | 120.0° |
| C16 | C17 | C18 | H30 | 119.0° | 120.0° |
| C16 | C17 | C18 | O36 | 59.7° | 0.0° |
| C16 | C17 | C18 | O35 | 121.2° | 180.0° |
| C17 | C16 | H27 | H28 | 120.0° | 120.0° |
| C16 | C17 | H29 | H30 | 123.0° | 120.0° |
| C17 | C18 | O36 | O35 | 179.0° | 180.0° |
| C18 | C17 | C16 | H27 | 70.5° | 60.0° |
| C18 | C17 | C16 | H28 | 49.5° | 60.0° |
| C18 | C17 | H29 | H30 | 123.0° | 120.0° |
| C17 | C18 | O35 | H32 | 179.0° | 180.0° |
| O36 | C18 | C17 | H29 | 178.6° | 120.0° |
| O36 | C18 | C17 | H30 | 59.3° | 119.9° |
| O36 | C18 | O35 | H32 | 0.0° | 0.0° |
| O35 | C18 | C17 | H29 | 2.3° | 60.0° |
| O35 | C18 | C17 | H30 | 119.8° | 60.1° |
| H1 | C26 | C25 | H3 | 0.1° | 0.0° |
| H1 | C26 | C27 | H4 | 0.0° | 0.3° |
| H2 | C32 | C31 | H5 | 0.3° | 0.3° |
| H2 | C32 | C33 | H6 | 0.6° | 0.0° |
| H3 | C25 | C24 | H7 | 0.2° | 0.1° |
| H4 | C27 | C28 | H8 | 0.1° | 0.1° |
| H5 | C31 | C30 | H9 | 0.4° | 0.0° |
| H6 | C33 | C34 | H10 | 0.3° | 0.0° |
| H11 | C12 | C11 | H13 | 0.3° | 0.4° |
| H12 | C14 | C15 | H14 | 0.0° | 0.5° |
| H15 | C1 | C6 | H19 | 59.6° | 174.9° |
| H15 | C1 | C6 | H20 | 59.8° | 54.6° |
| H15 | C1 | C4 | H26 | 61.1° | 178.6° |
| H16 | C1 | C6 | H19 | 179.1° | 54.8° |
| H16 | C1 | C6 | H20 | 59.7° | 65.6° |
| H16 | C1 | C4 | H26 | 58.4° | 61.3° |
| H17 | C19 | C8 | H21 | 39.5° | 65.6° |
| H17 | C19 | C8 | H22 | 157.5° | 54.8° |
| H17 | C19 | C4 | H26 | 47.4° | 61.3° |
| H18 | C19 | C8 | H21 | 79.2° | 54.4° |
| H18 | C19 | C8 | H22 | 38.8° | 174.9° |
| H18 | C19 | C4 | H26 | 71.4° | 178.7° |
| H23 | C21 | C22 | H24 | 0.1° | 0.0° |
| H23 | C21 | C20 | H25 | 149.3° | 145.1° |
| H24 | C22 | C20 | H25 | 149.9° | 145.0° |
| H25 | C20 | N2 | H31 | 137.5° | 170.7° |
| H27 | C16 | C17 | H29 | 170.6° | 60.0° |
| H27 | C16 | C17 | H30 | 48.5° | 180.0° |
| H28 | C16 | C17 | H29 | 69.4° | 180.0° |
| H28 | C16 | C17 | H30 | 168.5° | 59.9° |
