7YQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C10 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| CL7 | C3 | sing | 1.74Å | 1.79Å | |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| O5 | C10 | sing | 1.43Å | 1.44Å | |
| O5 | C30 | sing | 1.43Å | 1.43Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C10 | C27 | sing | 1.53Å | 1.52Å | |
| C10 | C29 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C23 | sing | 1.53Å | 1.52Å | |
| C26 | C13 | sing | 1.53Å | 1.52Å | |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C11 | sing | 1.53Å | 1.53Å | |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| C11 | N10 | sing | 1.46Å | 1.44Å | |
| C34 | C13 | sing | 1.53Å | 1.54Å | |
| C34 | C14 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| O29 | C9 | doub | 1.21Å | 1.21Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.46Å | 1.45Å | |
| C1 | C7 | sing | 1.51Å | 1.50Å | |
| C13 | C16 | sing | 1.53Å | 1.50Å | |
| C23 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | O33 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.32Å | |
| C9 | N10 | sing | 1.35Å | 1.33Å | |
| C9 | O8 | sing | 1.35Å | 1.45Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.44Å | |
| C7 | O8 | sing | 1.45Å | 1.43Å | |
| C17 | N16 | sing | 1.46Å | 1.45Å | |
| C17 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| O9 | C8 | sing | 1.43Å | 1.45Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C24 | sing | 1.51Å | 1.51Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.21Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.08Å | 1.08Å | |
| C5 | H39 | sing | 1.08Å | 1.08Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å | |
| C7 | H41 | sing | 1.09Å | 1.10Å | |
| C7 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| N10 | H45 | sing | 0.97Å | 1.00Å | |
| N13 | H46 | sing | 0.97Å | 1.00Å | |
| N16 | H47 | sing | 0.97Å | 1.00Å | |
| N23 | H48 | sing | 0.97Å | 1.00Å | |
| O9 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C10 | O5 | 107.7° | 109.5° |
| C28 | C10 | C27 | 110.8° | 109.5° |
| C28 | C10 | C29 | 107.8° | 109.4° |
| C10 | C28 | H26 | 109.5° | 109.5° |
| C10 | C28 | H27 | 109.5° | 109.5° |
| C10 | C28 | H28 | 109.4° | 109.4° |
| C5 | C4 | C3 | 118.5° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C5 | C4 | H38 | 120.8° | 120.0° |
| C4 | C5 | H39 | 119.7° | 120.0° |
| C4 | C3 | CL7 | 115.3° | 120.0° |
| C4 | C3 | C2 | 122.1° | 119.9° |
| C3 | C4 | H38 | 120.8° | 120.0° |
| C5 | C6 | C1 | 121.3° | 120.1° |
| C6 | C5 | H39 | 119.7° | 120.0° |
| C5 | C6 | H40 | 119.3° | 120.0° |
| CL7 | C3 | C2 | 122.5° | 120.0° |
| C3 | C2 | C1 | 118.2° | 120.0° |
| C3 | C2 | H11 | 120.9° | 120.0° |
| C10 | O5 | C30 | 118.2° | 114.0° |
| O5 | C10 | C27 | 109.7° | 109.5° |
| O5 | C10 | C29 | 113.8° | 109.5° |
| O5 | C30 | C31 | 109.6° | 109.5° |
| O5 | C30 | C11 | 108.5° | 109.4° |
| O5 | C30 | H32 | 109.9° | 109.5° |
| C31 | C30 | C11 | 111.7° | 109.4° |
| C31 | C30 | H32 | 108.6° | 109.5° |
| C30 | C31 | H33 | 109.5° | 109.4° |
| C30 | C31 | H34 | 109.5° | 109.4° |
| C30 | C31 | H35 | 109.5° | 109.5° |
| C27 | C10 | C29 | 107.1° | 109.5° |
| C10 | C27 | H23 | 109.5° | 109.5° |
| C10 | C27 | H24 | 109.4° | 109.5° |
| C10 | C27 | H25 | 109.5° | 109.5° |
| C10 | C29 | H29 | 109.5° | 109.5° |
| C10 | C29 | H30 | 109.4° | 109.5° |
| C10 | C29 | H31 | 109.5° | 109.4° |
| C26 | C25 | C23 | 111.6° | 109.5° |
| C25 | C26 | C13 | 115.0° | 109.5° |
| C26 | C25 | H19 | 108.9° | 109.5° |
| C26 | C25 | H20 | 108.9° | 109.4° |
| C25 | C26 | H21 | 108.1° | 109.5° |
| C25 | C26 | H22 | 108.1° | 109.5° |
| C25 | C23 | C18 | 112.4° | 109.5° |
| C25 | C23 | H17 | 108.8° | 109.5° |
| C25 | C23 | H18 | 108.7° | 109.5° |
| C23 | C25 | H19 | 108.9° | 109.5° |
| C23 | C25 | H20 | 108.9° | 109.5° |
| C26 | C13 | C34 | 106.4° | 109.5° |
| C26 | C13 | C16 | 110.4° | 109.5° |
| C26 | C13 | H2 | 109.1° | 109.5° |
| C13 | C26 | H21 | 108.1° | 109.5° |
| C13 | C26 | H22 | 108.1° | 109.4° |
| C6 | C1 | C2 | 119.3° | 119.9° |
| C6 | C1 | C7 | 117.0° | 120.0° |
| C1 | C6 | H40 | 119.3° | 119.9° |
| C30 | C11 | C12 | 109.8° | 109.5° |
| C30 | C11 | N10 | 107.2° | 109.5° |
| C30 | C11 | H1 | 109.8° | 109.4° |
| C11 | C30 | H32 | 108.6° | 109.5° |
| O38 | C15 | C14 | 118.8° | 120.0° |
| O38 | C15 | N16 | 121.3° | 119.9° |
| C12 | C11 | N10 | 108.8° | 109.5° |
| C11 | C12 | N13 | 117.8° | 120.0° |
| C11 | C12 | O33 | 120.6° | 120.0° |
| C12 | C11 | H1 | 110.2° | 109.5° |
| C11 | N10 | C9 | 124.2° | 120.0° |
| N10 | C11 | H1 | 111.0° | 109.5° |
| C11 | N10 | H45 | 117.9° | 120.0° |
| C13 | C34 | C14 | 116.4° | 109.5° |
| C34 | C13 | C16 | 112.7° | 109.5° |
| C34 | C13 | H2 | 108.9° | 109.5° |
| C13 | C34 | H36 | 107.7° | 109.4° |
| C13 | C34 | H37 | 107.7° | 109.4° |
| C34 | C14 | N13 | 109.0° | 109.5° |
| C34 | C14 | C15 | 109.4° | 109.4° |
| C34 | C14 | H3 | 110.2° | 109.4° |
| C14 | C34 | H36 | 107.7° | 109.5° |
| C14 | C34 | H37 | 107.7° | 109.5° |
| C2 | C1 | C7 | 123.7° | 120.0° |
| C1 | C2 | H11 | 120.9° | 120.0° |
| O29 | C9 | N10 | 123.3° | 120.0° |
| O29 | C9 | O8 | 119.8° | 120.0° |
| C12 | N13 | C14 | 118.6° | 120.0° |
| N13 | C12 | O33 | 121.5° | 120.0° |
| C12 | N13 | H46 | 120.7° | 120.0° |
| N13 | C14 | C15 | 106.4° | 109.5° |
| N13 | C14 | H3 | 111.3° | 109.5° |
| C14 | N13 | H46 | 120.7° | 120.0° |
| C1 | C7 | O8 | 106.3° | 109.5° |
| C1 | C7 | H41 | 110.2° | 109.5° |
| C1 | C7 | H42 | 110.3° | 109.4° |
| C13 | C16 | C18 | 112.8° | 109.5° |
| C16 | C13 | H2 | 109.4° | 109.5° |
| C13 | C16 | H4 | 108.6° | 109.4° |
| C13 | C16 | H5 | 108.6° | 109.5° |
| C23 | C18 | C16 | 113.2° | 109.5° |
| C23 | C18 | H7 | 108.5° | 109.4° |
| C23 | C18 | H8 | 108.5° | 109.5° |
| C18 | C23 | H17 | 108.7° | 109.5° |
| C18 | C23 | H18 | 108.7° | 109.5° |
| C14 | C15 | N16 | 119.9° | 120.1° |
| C15 | C14 | H3 | 110.4° | 109.5° |
| C15 | N16 | C17 | 119.4° | 120.0° |
| C15 | N16 | H47 | 120.3° | 119.9° |
| N10 | C9 | O8 | 116.9° | 120.0° |
| C9 | N10 | H45 | 117.9° | 120.0° |
| C9 | O8 | C7 | 124.4° | 117.0° |
| C22 | C21 | C20 | 104.7° | 101.8° |
| C21 | C22 | N23 | 104.9° | 105.5° |
| C22 | C21 | H13 | 110.7° | 110.9° |
| C22 | C21 | H14 | 110.6° | 111.0° |
| C21 | C22 | H15 | 110.6° | 110.3° |
| C21 | C22 | H16 | 110.6° | 110.3° |
| C21 | C20 | C19 | 112.3° | 110.5° |
| C21 | C20 | C24 | 103.4° | 104.2° |
| C21 | C20 | H12 | 109.2° | 110.6° |
| C20 | C21 | H13 | 110.6° | 111.0° |
| C20 | C21 | H14 | 110.6° | 111.0° |
| C18 | C16 | H4 | 108.7° | 109.5° |
| C18 | C16 | H5 | 108.6° | 109.5° |
| C16 | C18 | H7 | 108.5° | 109.5° |
| C16 | C18 | H8 | 108.6° | 109.5° |
| C22 | N23 | C24 | 112.1° | 111.3° |
| N23 | C22 | H15 | 110.6° | 110.3° |
| N23 | C22 | H16 | 110.6° | 110.2° |
| C22 | N23 | H48 | 123.9° | 124.4° |
| O8 | C7 | H41 | 110.3° | 109.5° |
| O8 | C7 | H42 | 110.3° | 109.5° |
| N16 | C17 | C8 | 107.9° | 109.5° |
| N16 | C17 | C19 | 109.8° | 109.4° |
| N16 | C17 | H6 | 110.4° | 109.5° |
| C17 | N16 | H47 | 120.3° | 120.1° |
| C8 | C17 | C19 | 109.9° | 109.5° |
| C17 | C8 | O9 | 111.7° | 109.5° |
| C8 | C17 | H6 | 109.3° | 109.5° |
| C17 | C8 | H43 | 108.9° | 109.4° |
| C17 | C8 | H44 | 108.9° | 109.5° |
| C17 | C19 | C20 | 111.7° | 109.5° |
| C19 | C17 | H6 | 109.4° | 109.5° |
| C17 | C19 | H9 | 108.9° | 109.4° |
| C17 | C19 | H10 | 108.9° | 109.4° |
| O9 | C8 | H43 | 108.9° | 109.4° |
| O9 | C8 | H44 | 108.9° | 109.5° |
| C8 | O9 | H49 | 109.5° | 114.1° |
| C19 | C20 | C24 | 113.1° | 110.5° |
| C20 | C19 | H9 | 108.9° | 109.5° |
| C20 | C19 | H10 | 108.9° | 109.5° |
| C19 | C20 | H12 | 109.2° | 110.4° |
| C20 | C24 | N23 | 110.9° | 110.1° |
| C20 | C24 | O26 | 123.2° | 124.9° |
| C24 | C20 | H12 | 109.4° | 110.5° |
| N23 | C24 | O26 | 125.9° | 125.0° |
| C24 | N23 | H48 | 123.9° | 124.3° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.4° | 109.5° |
| H9 | C19 | H10 | 109.4° | 109.5° |
| H13 | C21 | H14 | 109.5° | 110.8° |
| H15 | C22 | H16 | 109.5° | 110.3° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.4° |
| H23 | C27 | H25 | 109.4° | 109.4° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H28 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.4° | 109.4° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H31 | 109.5° | 109.4° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.5° | 109.5° |
| H33 | C31 | H35 | 109.4° | 109.5° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H36 | C34 | H37 | 109.5° | 109.5° |
| H41 | C7 | H42 | 109.5° | 109.5° |
| H43 | C8 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C10 | O5 | C27 | 120.7° | 120.0° |
| C28 | C10 | O5 | C29 | 119.4° | 120.0° |
| C28 | C10 | O5 | C30 | 138.5° | 65.4° |
| C28 | C10 | C27 | C29 | 117.3° | 120.0° |
| C28 | C10 | C27 | H23 | 180.0° | 66.4° |
| C28 | C10 | C27 | H24 | 60.0° | 53.6° |
| C28 | C10 | C27 | H25 | 60.0° | 173.7° |
| C10 | C28 | H26 | H27 | 120.0° | 120.1° |
| C10 | C28 | H26 | H28 | 120.0° | 119.9° |
| C10 | C28 | H27 | H28 | 119.9° | 119.9° |
| C28 | C10 | C29 | H29 | 180.0° | 179.9° |
| C28 | C10 | C29 | H30 | 60.0° | 60.0° |
| C28 | C10 | C29 | H31 | 60.0° | 60.0° |
| C5 | C4 | C3 | H38 | 180.0° | 179.7° |
| C4 | C5 | C6 | H39 | 180.0° | 179.8° |
| C5 | C4 | C3 | CL7 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.5° |
| C4 | C5 | C6 | H40 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.3° |
| C4 | C3 | CL7 | C2 | 179.9° | 179.9° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H11 | 179.9° | 180.0° |
| C3 | C4 | C5 | H39 | 179.6° | 180.0° |
| C5 | C6 | C1 | H40 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.2° | 0.5° |
| C5 | C6 | C1 | C7 | 179.0° | 179.7° |
| C6 | C5 | C4 | H38 | 179.6° | 180.0° |
| CL7 | C3 | C2 | C1 | 180.0° | 180.0° |
| CL7 | C3 | C2 | H11 | 0.0° | 0.0° |
| CL7 | C3 | C4 | H38 | 0.4° | 0.3° |
| C3 | C2 | C1 | C6 | 0.4° | 0.3° |
| C3 | C2 | C1 | H11 | 180.0° | 180.0° |
| C3 | C2 | C1 | C7 | 179.1° | 180.0° |
| C2 | C3 | C4 | H38 | 179.8° | 179.7° |
| C10 | O5 | C30 | C31 | 102.6° | 97.4° |
| O5 | C10 | C27 | C29 | 123.9° | 120.0° |
| C10 | O5 | C30 | C11 | 135.2° | 142.7° |
| O5 | C10 | C27 | H23 | 61.2° | 173.6° |
| O5 | C10 | C27 | H24 | 178.8° | 66.4° |
| O5 | C10 | C27 | H25 | 58.8° | 53.6° |
| O5 | C10 | C28 | H26 | 180.0° | 180.0° |
| O5 | C10 | C28 | H27 | 60.0° | 59.9° |
| O5 | C10 | C28 | H28 | 60.0° | 60.0° |
| O5 | C10 | C29 | H29 | 60.7° | 60.0° |
| O5 | C10 | C29 | H30 | 59.3° | 60.0° |
| O5 | C10 | C29 | H31 | 179.3° | 180.0° |
| C10 | O5 | C30 | H32 | 16.6° | 22.7° |
| O5 | C30 | C31 | C11 | 120.3° | 119.9° |
| O5 | C30 | C31 | H32 | 120.0° | 120.1° |
| C30 | O5 | C10 | C27 | 100.8° | 54.6° |
| C30 | O5 | C10 | C29 | 19.1° | 174.6° |
| O5 | C30 | C11 | H32 | 119.4° | 120.1° |
| O5 | C30 | C11 | C12 | 170.8° | 55.0° |
| O5 | C30 | C11 | N10 | 71.2° | 65.0° |
| O5 | C30 | C11 | H1 | 49.5° | 175.1° |
| O5 | C30 | C31 | H33 | 180.0° | 66.0° |
| O5 | C30 | C31 | H34 | 60.0° | 174.1° |
| O5 | C30 | C31 | H35 | 60.0° | 54.1° |
| C31 | C30 | C11 | H32 | 119.7° | 120.0° |
| C31 | C30 | C11 | C12 | 49.9° | 175.0° |
| C31 | C30 | C11 | N10 | 167.9° | 55.0° |
| C31 | C30 | C11 | H1 | 71.4° | 65.0° |
| C30 | C31 | H33 | H34 | 120.0° | 119.9° |
| C30 | C31 | H33 | H35 | 120.0° | 120.0° |
| C30 | C31 | H34 | H35 | 120.0° | 120.0° |
| C10 | C27 | H23 | H24 | 120.0° | 120.0° |
| C10 | C27 | H23 | H25 | 120.0° | 120.0° |
| C10 | C27 | H24 | H25 | 120.0° | 120.1° |
| C27 | C10 | C28 | H26 | 59.9° | 60.0° |
| C27 | C10 | C28 | H27 | 180.0° | 179.9° |
| C27 | C10 | C28 | H28 | 60.1° | 60.0° |
| C27 | C10 | C29 | H29 | 60.7° | 60.0° |
| C27 | C10 | C29 | H30 | 179.3° | 180.0° |
| C27 | C10 | C29 | H31 | 59.3° | 60.0° |
| C29 | C10 | C27 | H23 | 62.7° | 53.6° |
| C29 | C10 | C27 | H24 | 57.3° | 173.6° |
| C29 | C10 | C27 | H25 | 177.3° | 66.3° |
| C29 | C10 | C28 | H26 | 56.9° | 60.0° |
| C29 | C10 | C28 | H27 | 63.1° | 60.1° |
| C29 | C10 | C28 | H28 | 176.9° | 180.0° |
| C10 | C29 | H29 | H30 | 120.0° | 120.1° |
| C10 | C29 | H29 | H31 | 120.0° | 119.9° |
| C10 | C29 | H30 | H31 | 120.0° | 120.0° |
| C26 | C25 | C23 | H19 | 120.3° | 120.0° |
| C26 | C25 | C23 | H20 | 120.3° | 120.0° |
| C25 | C26 | C13 | H21 | 120.8° | 120.0° |
| C25 | C26 | C13 | H22 | 120.8° | 120.0° |
| C25 | C26 | C13 | C34 | 142.7° | 180.0° |
| C25 | C26 | C13 | C16 | 20.1° | 60.0° |
| C26 | C25 | C23 | C18 | 56.6° | 60.0° |
| C25 | C26 | C13 | H2 | 100.0° | 60.0° |
| C26 | C25 | C23 | H17 | 177.0° | 180.0° |
| C26 | C25 | C23 | H18 | 63.8° | 60.0° |
| C26 | C25 | H19 | H20 | 119.0° | 120.0° |
| C25 | C26 | H21 | H22 | 117.5° | 120.0° |
| C23 | C25 | C26 | C13 | 36.4° | 60.0° |
| C25 | C23 | C18 | H17 | 120.4° | 120.0° |
| C25 | C23 | C18 | H18 | 120.4° | 120.0° |
| C25 | C23 | C18 | C16 | 17.9° | 60.0° |
| C25 | C23 | C18 | H7 | 102.6° | 60.0° |
| C25 | C23 | C18 | H8 | 138.5° | 180.0° |
| C25 | C23 | H17 | H18 | 118.7° | 120.0° |
| C23 | C25 | H19 | H20 | 119.0° | 120.0° |
| C23 | C25 | C26 | H21 | 84.4° | 60.0° |
| C23 | C25 | C26 | H22 | 157.3° | 179.9° |
| C26 | C13 | C34 | C16 | 121.0° | 120.0° |
| C26 | C13 | C34 | H2 | 117.5° | 120.0° |
| C26 | C13 | C34 | C14 | 156.1° | 65.0° |
| C26 | C13 | C16 | H2 | 120.0° | 120.0° |
| C26 | C13 | C16 | C18 | 60.1° | 60.0° |
| C26 | C13 | C16 | H4 | 179.4° | 180.0° |
| C26 | C13 | C16 | H5 | 60.4° | 60.0° |
| C13 | C26 | C25 | H19 | 83.9° | 60.0° |
| C13 | C26 | C25 | H20 | 156.7° | 180.0° |
| C13 | C26 | H21 | H22 | 117.5° | 120.0° |
| C26 | C13 | C34 | H36 | 82.9° | 55.0° |
| C26 | C13 | C34 | H37 | 35.1° | 175.0° |
| C6 | C1 | C2 | C7 | 178.7° | 179.7° |
| C6 | C1 | C7 | O8 | 100.0° | 90.3° |
| C6 | C1 | C2 | H11 | 179.6° | 179.7° |
| C1 | C6 | C5 | H39 | 179.8° | 179.7° |
| C6 | C1 | C7 | H41 | 140.5° | 29.7° |
| C6 | C1 | C7 | H42 | 19.5° | 149.7° |
| C30 | C11 | C12 | N10 | 117.0° | 120.0° |
| C30 | C11 | C12 | H1 | 121.0° | 120.0° |
| C30 | C11 | N10 | H1 | 119.8° | 119.9° |
| C30 | C11 | C12 | N13 | 118.8° | 60.0° |
| C30 | C11 | C12 | O33 | 60.8° | 120.1° |
| C30 | C11 | N10 | C9 | 139.8° | 85.0° |
| C11 | C30 | C31 | H33 | 59.7° | 174.1° |
| C11 | C30 | C31 | H34 | 60.3° | 54.1° |
| C11 | C30 | C31 | H35 | 179.7° | 65.9° |
| C30 | C11 | N10 | H45 | 40.2° | 95.0° |
| O38 | C15 | C14 | C34 | 81.4° | 120.1° |
| O38 | C15 | C14 | N13 | 36.2° | 0.0° |
| O38 | C15 | C14 | N16 | 179.9° | 179.9° |
| O38 | C15 | N16 | C17 | 8.3° | 0.0° |
| O38 | C15 | C14 | H3 | 157.1° | 120.0° |
| O38 | C15 | N16 | H47 | 171.7° | 180.0° |
| C12 | C11 | N10 | H1 | 121.5° | 120.1° |
| C11 | C12 | N13 | O33 | 179.6° | 180.0° |
| C11 | C12 | N13 | C14 | 176.6° | 180.0° |
| C12 | C11 | N10 | C9 | 101.6° | 155.0° |
| C12 | C11 | C30 | H32 | 69.9° | 65.0° |
| C12 | C11 | N10 | H45 | 78.5° | 25.0° |
| C11 | C12 | N13 | H46 | 3.4° | 0.0° |
| C11 | N10 | C9 | O29 | 6.1° | 0.1° |
| N10 | C11 | C12 | N13 | 124.2° | 180.0° |
| N10 | C11 | C12 | O33 | 56.2° | 0.1° |
| C11 | N10 | C9 | H45 | 180.0° | 180.0° |
| C11 | N10 | C9 | O8 | 174.6° | 180.0° |
| N10 | C11 | C30 | H32 | 48.2° | 174.9° |
| C13 | C34 | C14 | H36 | 121.0° | 120.0° |
| C13 | C34 | C14 | H37 | 121.0° | 120.0° |
| C13 | C34 | C14 | N13 | 93.8° | 65.0° |
| C34 | C13 | C16 | H2 | 121.2° | 120.0° |
| C13 | C34 | C14 | C15 | 150.2° | 175.0° |
| C34 | C13 | C16 | C18 | 178.9° | 180.0° |
| C13 | C34 | C14 | H3 | 28.6° | 55.0° |
| C34 | C13 | C16 | H4 | 60.6° | 60.0° |
| C34 | C13 | C16 | H5 | 58.4° | 60.0° |
| C34 | C13 | C26 | H21 | 96.5° | 60.0° |
| C34 | C13 | C26 | H22 | 21.8° | 60.0° |
| C13 | C34 | H36 | H37 | 116.8° | 119.9° |
| C34 | C14 | N13 | C12 | 171.5° | 85.0° |
| C34 | C14 | N13 | C15 | 117.9° | 120.0° |
| C34 | C14 | N13 | H3 | 121.8° | 120.0° |
| C14 | C34 | C13 | C16 | 35.0° | 175.0° |
| C34 | C14 | C15 | H3 | 121.5° | 120.0° |
| C34 | C14 | C15 | N16 | 98.7° | 60.0° |
| C14 | C34 | C13 | H2 | 86.5° | 55.0° |
| C14 | C34 | H36 | H37 | 116.9° | 120.0° |
| C34 | C14 | N13 | H46 | 8.5° | 95.0° |
| C2 | C1 | C7 | O8 | 78.8° | 90.0° |
| C2 | C1 | C6 | H40 | 179.8° | 180.0° |
| C2 | C1 | C7 | H41 | 40.7° | 150.0° |
| C2 | C1 | C7 | H42 | 161.7° | 30.0° |
| O29 | C9 | N10 | O8 | 179.3° | 180.0° |
| O29 | C9 | O8 | C7 | 6.9° | 0.0° |
| O29 | C9 | N10 | H45 | 174.0° | 180.0° |
| C12 | N13 | C14 | H46 | 180.0° | 179.9° |
| C12 | N13 | C14 | C15 | 70.6° | 155.0° |
| N13 | C12 | C11 | H1 | 2.3° | 60.0° |
| C12 | N13 | C14 | H3 | 49.7° | 35.0° |
| C14 | N13 | C12 | O33 | 3.8° | 0.0° |
| N13 | C14 | C15 | H3 | 120.9° | 120.0° |
| N13 | C14 | C15 | N16 | 143.7° | 180.0° |
| N13 | C14 | C34 | H36 | 145.2° | 175.0° |
| N13 | C14 | C34 | H37 | 27.2° | 55.0° |
| C1 | C7 | O8 | C9 | 63.0° | 180.0° |
| C1 | C7 | O8 | H41 | 119.5° | 120.0° |
| C1 | C7 | O8 | H42 | 119.5° | 120.0° |
| C7 | C1 | C2 | H11 | 0.9° | 0.0° |
| C7 | C1 | C6 | H40 | 1.0° | 0.2° |
| C1 | C7 | H41 | H42 | 121.4° | 119.9° |
| C13 | C16 | C18 | C23 | 40.2° | 60.0° |
| C13 | C16 | C18 | H4 | 120.5° | 120.0° |
| C13 | C16 | C18 | H5 | 120.5° | 120.0° |
| C13 | C16 | H4 | H5 | 118.5° | 120.0° |
| C13 | C16 | C18 | H7 | 160.8° | 60.0° |
| C13 | C16 | C18 | H8 | 80.4° | 180.0° |
| C16 | C13 | C26 | H21 | 140.9° | 60.0° |
| C16 | C13 | C26 | H22 | 100.7° | 180.0° |
| C16 | C13 | C34 | H36 | 156.0° | 65.0° |
| C16 | C13 | C34 | H37 | 86.0° | 55.0° |
| C23 | C18 | C16 | H7 | 120.5° | 120.0° |
| C23 | C18 | C16 | H8 | 120.6° | 120.0° |
| C23 | C18 | C16 | H4 | 160.7° | 180.0° |
| C23 | C18 | C16 | H5 | 80.3° | 60.0° |
| C23 | C18 | H7 | H8 | 118.3° | 120.0° |
| C18 | C23 | H17 | H18 | 118.7° | 120.0° |
| C18 | C23 | C25 | H19 | 63.7° | 60.0° |
| C18 | C23 | C25 | H20 | 176.9° | 180.0° |
| O33 | C12 | C11 | H1 | 178.1° | 120.0° |
| O33 | C12 | N13 | H46 | 176.2° | 179.9° |
| C14 | C15 | N16 | C17 | 171.7° | 180.0° |
| C15 | C14 | C34 | H36 | 29.2° | 55.0° |
| C15 | C14 | C34 | H37 | 88.8° | 65.0° |
| C15 | C14 | N13 | H46 | 109.4° | 25.0° |
| C14 | C15 | N16 | H47 | 8.2° | 0.0° |
| C15 | N16 | C17 | H47 | 180.0° | 180.0° |
| C15 | N16 | C17 | C8 | 126.5° | 85.0° |
| C15 | N16 | C17 | C19 | 113.7° | 155.0° |
| N16 | C15 | C14 | H3 | 22.8° | 59.9° |
| C15 | N16 | C17 | H6 | 7.0° | 35.0° |
| N10 | C9 | O8 | C7 | 173.8° | 180.0° |
| C9 | N10 | C11 | H1 | 19.9° | 34.9° |
| C9 | O8 | C7 | H41 | 177.6° | 60.0° |
| C9 | O8 | C7 | H42 | 56.6° | 60.0° |
| O8 | C9 | N10 | H45 | 5.3° | 0.0° |
| C22 | C21 | C20 | H13 | 119.3° | 118.1° |
| C22 | C21 | C20 | H14 | 119.2° | 118.2° |
| C21 | C22 | N23 | H15 | 119.3° | 119.1° |
| C21 | C22 | N23 | H16 | 119.3° | 119.0° |
| C22 | C21 | C20 | C19 | 138.9° | 93.9° |
| C22 | C21 | C20 | C24 | 16.6° | 24.9° |
| C21 | C22 | N23 | C24 | 15.9° | 17.0° |
| C22 | C21 | C20 | H12 | 99.8° | 143.6° |
| C22 | C21 | H13 | H14 | 122.2° | 123.8° |
| C21 | C22 | H15 | H16 | 122.1° | 122.0° |
| C21 | C22 | N23 | H48 | 164.1° | 163.0° |
| C20 | C21 | C22 | N23 | 19.7° | 25.5° |
| C21 | C20 | C19 | C17 | 65.6° | 178.8° |
| C21 | C20 | C19 | C24 | 116.6° | 114.8° |
| C21 | C20 | C19 | H12 | 121.3° | 122.6° |
| C21 | C20 | C24 | H12 | 116.3° | 118.8° |
| C21 | C20 | C24 | N23 | 7.8° | 16.3° |
| C21 | C20 | C24 | O26 | 172.9° | 163.8° |
| C21 | C20 | C19 | H9 | 174.0° | 61.3° |
| C21 | C20 | C19 | H10 | 54.7° | 58.8° |
| C20 | C21 | H13 | H14 | 122.2° | 123.8° |
| C20 | C21 | C22 | H15 | 139.0° | 93.6° |
| C20 | C21 | C22 | H16 | 99.5° | 144.4° |
| C18 | C16 | C13 | H2 | 59.9° | 60.0° |
| C18 | C16 | H4 | H5 | 118.5° | 120.0° |
| C16 | C18 | H7 | H8 | 118.3° | 120.0° |
| C16 | C18 | C23 | H17 | 138.4° | 180.0° |
| C16 | C18 | C23 | H18 | 102.5° | 60.0° |
| C22 | N23 | C24 | C20 | 5.2° | 0.4° |
| C22 | N23 | C24 | H48 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 174.1° | 179.5° |
| N23 | C22 | C21 | H13 | 138.9° | 143.6° |
| N23 | C22 | C21 | H14 | 99.5° | 92.7° |
| N23 | C22 | H15 | H16 | 122.1° | 121.9° |
| O8 | C7 | H41 | H42 | 121.5° | 120.0° |
| N16 | C17 | C8 | C19 | 119.7° | 120.0° |
| N16 | C17 | C8 | H6 | 120.2° | 120.0° |
| N16 | C17 | C19 | H6 | 121.3° | 120.0° |
| N16 | C17 | C8 | O9 | 164.6° | 65.0° |
| N16 | C17 | C19 | C20 | 63.3° | 65.0° |
| N16 | C17 | C19 | H9 | 57.1° | 55.0° |
| N16 | C17 | C19 | H10 | 176.3° | 175.0° |
| N16 | C17 | C8 | H43 | 75.1° | 55.0° |
| N16 | C17 | C8 | H44 | 44.2° | 175.0° |
| C8 | C17 | C19 | H6 | 120.1° | 120.0° |
| C17 | C8 | O9 | H43 | 120.3° | 119.9° |
| C17 | C8 | O9 | H44 | 120.3° | 120.0° |
| C8 | C17 | C19 | C20 | 178.1° | 175.0° |
| C8 | C17 | C19 | H9 | 61.5° | 65.0° |
| C8 | C17 | C19 | H10 | 57.8° | 55.0° |
| C17 | C8 | H43 | H44 | 119.0° | 120.0° |
| C8 | C17 | N16 | H47 | 53.5° | 95.0° |
| C17 | C8 | O9 | H49 | 180.0° | 180.0° |
| C19 | C17 | C8 | O9 | 75.7° | 55.0° |
| C17 | C19 | C20 | H9 | 120.4° | 120.0° |
| C17 | C19 | C20 | H10 | 120.3° | 120.0° |
| C17 | C19 | C20 | C24 | 177.7° | 66.4° |
| C17 | C19 | H9 | H10 | 118.9° | 120.0° |
| C17 | C19 | C20 | H12 | 55.7° | 56.1° |
| C19 | C17 | C8 | H43 | 44.6° | 175.0° |
| C19 | C17 | C8 | H44 | 164.0° | 65.0° |
| C19 | C17 | N16 | H47 | 66.3° | 25.0° |
| O9 | C8 | C17 | H6 | 44.4° | 175.0° |
| O9 | C8 | H43 | H44 | 119.0° | 120.0° |
| C19 | C20 | C24 | H12 | 122.0° | 122.5° |
| C19 | C20 | C24 | N23 | 129.5° | 102.4° |
| C19 | C20 | C24 | O26 | 51.2° | 77.5° |
| C20 | C19 | C17 | H6 | 58.0° | 55.0° |
| C20 | C19 | H9 | H10 | 118.9° | 120.1° |
| C19 | C20 | C21 | H13 | 101.9° | 24.2° |
| C19 | C20 | C21 | H14 | 19.6° | 148.0° |
| C20 | C24 | N23 | O26 | 179.3° | 179.9° |
| C24 | C20 | C19 | H9 | 57.4° | 53.5° |
| C24 | C20 | C19 | H10 | 61.9° | 173.6° |
| C24 | C20 | C21 | H13 | 135.9° | 143.0° |
| C24 | C20 | C21 | H14 | 102.6° | 93.3° |
| C20 | C24 | N23 | H48 | 174.9° | 179.6° |
| N23 | C24 | C20 | H12 | 108.5° | 135.1° |
| C24 | N23 | C22 | H15 | 135.2° | 102.0° |
| C24 | N23 | C22 | H16 | 103.4° | 136.0° |
| O26 | C24 | C20 | H12 | 70.8° | 45.0° |
| O26 | C24 | N23 | H48 | 5.9° | 0.5° |
| H1 | C11 | C30 | H32 | 168.8° | 55.0° |
| H1 | C11 | N10 | H45 | 160.1° | 145.0° |
| H2 | C13 | C16 | H4 | 60.6° | 60.0° |
| H2 | C13 | C16 | H5 | 179.6° | NaN° |
| H2 | C13 | C26 | H21 | 20.8° | 180.0° |
| H2 | C13 | C26 | H22 | 139.1° | 60.0° |
| H2 | C13 | C34 | H36 | 34.5° | 175.0° |
| H2 | C13 | C34 | H37 | 152.5° | 65.0° |
| H3 | C14 | C34 | H36 | 92.4° | 65.0° |
| H3 | C14 | C34 | H37 | 149.6° | 175.0° |
| H3 | C14 | N13 | H46 | 130.3° | 145.1° |
| H4 | C16 | C18 | H7 | 78.8° | 60.0° |
| H4 | C16 | C18 | H8 | 40.1° | 60.1° |
| H5 | C16 | C18 | H7 | 40.3° | 180.0° |
| H5 | C16 | C18 | H8 | 159.1° | 60.0° |
| H6 | C17 | C19 | H9 | 178.4° | 175.0° |
| H6 | C17 | C19 | H10 | 62.3° | 65.0° |
| H6 | C17 | C8 | H43 | 164.7° | 65.1° |
| H6 | C17 | C8 | H44 | 75.9° | 55.0° |
| H6 | C17 | N16 | H47 | 173.0° | 145.0° |
| H7 | C18 | C23 | H17 | 17.8° | 60.0° |
| H7 | C18 | C23 | H18 | 137.0° | 180.0° |
| H8 | C18 | C23 | H17 | 101.0° | 60.0° |
| H8 | C18 | C23 | H18 | 18.1° | 60.0° |
| H9 | C19 | C20 | H12 | 64.7° | 176.1° |
| H10 | C19 | C20 | H12 | 176.0° | 63.9° |
| H12 | C20 | C21 | H13 | 19.4° | 98.3° |
| H12 | C20 | C21 | H14 | 140.9° | 25.4° |
| H13 | C21 | C22 | H15 | 101.8° | 24.5° |
| H13 | C21 | C22 | H16 | 19.7° | 97.5° |
| H14 | C21 | C22 | H15 | 19.7° | 148.2° |
| H14 | C21 | C22 | H16 | 141.2° | 26.2° |
| H15 | C22 | N23 | H48 | 44.9° | 78.0° |
| H16 | C22 | N23 | H48 | 76.6° | 44.0° |
| H17 | C23 | C25 | H19 | 56.7° | 60.0° |
| H17 | C23 | C25 | H20 | 62.7° | 60.0° |
| H18 | C23 | C25 | H19 | 175.9° | NaN° |
| H18 | C23 | C25 | H20 | 56.5° | 60.0° |
| H19 | C25 | C26 | H21 | 155.3° | 180.0° |
| H19 | C25 | C26 | H22 | 36.9° | 60.0° |
| H20 | C25 | C26 | H21 | 35.9° | 60.0° |
| H20 | C25 | C26 | H22 | 82.4° | 60.0° |
| H23 | C27 | H24 | H25 | 120.0° | 119.9° |
| H26 | C28 | H27 | H28 | 120.0° | 120.0° |
| H29 | C29 | H30 | H31 | 120.0° | 120.0° |
| H32 | C30 | C31 | H33 | 60.0° | 54.1° |
| H32 | C30 | C31 | H34 | 180.0° | 65.9° |
| H32 | C30 | C31 | H35 | 60.0° | 174.1° |
| H33 | C31 | H34 | H35 | 120.0° | 120.1° |
| H38 | C4 | C5 | H39 | 0.4° | 0.3° |
| H39 | C5 | C6 | H40 | 0.2° | 0.2° |
| H43 | C8 | O9 | H49 | 59.7° | 60.1° |
| H44 | C8 | O9 | H49 | 59.7° | 60.0° |
