PRD_001205
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| O33 | C32 | doub | 1.21Å | 1.23Å | |
| C32 | C30 | sing | 1.51Å | 1.55Å | |
| C32 | N34 | sing | 1.35Å | 1.35Å | |
| C35 | N34 | sing | 1.40Å | 1.34Å | |
| C35 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | O31 | sing | 1.43Å | 1.43Å | |
| C30 | C25 | sing | 1.53Å | 1.55Å | |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | N24 | sing | 1.47Å | 1.47Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| N24 | C22 | sing | 1.35Å | 1.34Å | |
| O23 | C22 | doub | 1.21Å | 1.23Å | |
| C22 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | N16 | sing | 1.46Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| N16 | C15 | sing | 1.35Å | 1.34Å | |
| O41 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | N9 | sing | 1.46Å | 1.47Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| N9 | C7 | sing | 1.35Å | 1.35Å | |
| O8 | C7 | doub | 1.22Å | 1.23Å | |
| C7 | O6 | sing | 1.35Å | 1.37Å | |
| O6 | C5 | sing | 1.45Å | 1.44Å | |
| C5 | C4 | sing | 1.51Å | 1.40Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C1 | H21 | sing | 1.08Å | 1.08Å | |
| C43 | H22 | sing | 1.08Å | 1.08Å | |
| C42 | H23 | sing | 1.08Å | 1.08Å | |
| N9 | H24 | sing | 0.97Å | 1.00Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| N16 | H31 | sing | 0.97Å | 1.00Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| N24 | H35 | sing | 0.97Å | 1.00Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| O31 | H42 | sing | 0.97Å | 0.95Å | |
| N34 | H43 | sing | 0.97Å | 1.00Å | |
| C36 | H44 | sing | 1.08Å | 1.08Å | |
| C37 | H45 | sing | 1.08Å | 1.08Å | |
| C38 | H46 | sing | 1.08Å | 1.08Å | |
| C39 | H47 | sing | 1.08Å | 1.08Å | |
| C40 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 120.1° | 119.9° |
| C36 | C37 | C38 | 120.1° | 120.1° |
| C37 | C36 | H44 | 119.9° | 120.1° |
| C36 | C37 | H45 | 119.9° | 119.9° |
| C36 | C35 | N34 | 123.0° | 120.1° |
| C36 | C35 | C40 | 119.4° | 119.8° |
| C35 | C36 | H44 | 119.9° | 120.0° |
| C37 | C38 | C39 | 119.9° | 120.1° |
| C38 | C37 | H45 | 120.0° | 119.9° |
| C37 | C38 | H46 | 120.0° | 120.0° |
| O33 | C32 | C30 | 120.9° | 120.0° |
| O33 | C32 | N34 | 124.6° | 120.0° |
| C30 | C32 | N34 | 114.5° | 120.0° |
| C32 | C30 | O31 | 108.1° | 109.5° |
| C32 | C30 | C25 | 112.1° | 109.5° |
| C32 | C30 | H41 | 109.0° | 109.5° |
| C32 | N34 | C35 | 121.1° | 120.0° |
| C32 | N34 | H43 | 119.5° | 120.0° |
| N34 | C35 | C40 | 117.6° | 120.1° |
| C35 | N34 | H43 | 119.5° | 120.0° |
| C35 | C40 | C39 | 120.6° | 120.0° |
| C35 | C40 | H48 | 119.7° | 120.0° |
| O31 | C30 | C25 | 107.8° | 109.5° |
| O31 | C30 | H41 | 110.7° | 109.5° |
| C30 | O31 | H42 | 109.5° | 114.0° |
| C30 | C25 | C26 | 110.6° | 109.5° |
| C30 | C25 | N24 | 109.7° | 109.5° |
| C30 | C25 | H36 | 107.8° | 109.5° |
| C25 | C30 | H41 | 109.1° | 109.5° |
| C38 | C39 | C40 | 119.9° | 120.1° |
| C39 | C38 | H46 | 120.0° | 119.9° |
| C38 | C39 | H47 | 120.1° | 120.0° |
| C25 | C26 | C27 | 110.1° | 109.5° |
| C26 | C25 | N24 | 111.7° | 109.4° |
| C25 | C26 | H14 | 109.3° | 109.5° |
| C25 | C26 | H15 | 109.3° | 109.5° |
| C26 | C25 | H36 | 108.2° | 109.4° |
| C26 | C27 | C28 | 108.5° | 109.5° |
| C26 | C27 | C29 | 113.5° | 109.4° |
| C27 | C26 | H14 | 109.3° | 109.5° |
| C27 | C26 | H15 | 109.3° | 109.5° |
| C26 | C27 | H37 | 109.0° | 109.5° |
| C28 | C27 | C29 | 106.6° | 109.4° |
| C27 | C28 | H16 | 109.5° | 109.5° |
| C27 | C28 | H17 | 109.5° | 109.5° |
| C27 | C28 | H18 | 109.5° | 109.5° |
| C28 | C27 | H37 | 109.6° | 109.5° |
| C40 | C39 | H47 | 120.0° | 120.0° |
| C39 | C40 | H48 | 119.7° | 120.0° |
| C25 | N24 | C22 | 120.5° | 120.0° |
| C25 | N24 | H35 | 119.7° | 120.0° |
| N24 | C25 | H36 | 108.7° | 109.5° |
| C29 | C27 | H37 | 109.5° | 109.6° |
| C27 | C29 | H38 | 109.5° | 109.6° |
| C27 | C29 | H39 | 109.4° | 109.5° |
| C27 | C29 | H40 | 109.4° | 109.5° |
| N24 | C22 | O23 | 123.7° | 120.0° |
| N24 | C22 | C17 | 116.4° | 120.0° |
| C22 | N24 | H35 | 119.8° | 120.0° |
| O23 | C22 | C17 | 119.9° | 120.0° |
| C22 | C17 | C18 | 110.0° | 109.4° |
| C22 | C17 | N16 | 106.4° | 109.4° |
| C22 | C17 | H7 | 110.2° | 109.5° |
| C18 | C17 | N16 | 109.1° | 109.5° |
| C17 | C18 | C19 | 110.8° | 109.5° |
| C18 | C17 | H7 | 110.0° | 109.5° |
| C17 | C18 | H32 | 109.1° | 109.4° |
| C17 | C18 | H33 | 109.2° | 109.5° |
| C17 | N16 | C15 | 123.3° | 120.0° |
| N16 | C17 | H7 | 111.0° | 109.5° |
| C17 | N16 | H31 | 118.4° | 120.1° |
| C18 | C19 | C21 | 108.9° | 109.4° |
| C18 | C19 | C20 | 110.4° | 109.4° |
| C19 | C18 | H32 | 109.1° | 109.5° |
| C19 | C18 | H33 | 109.1° | 109.5° |
| C18 | C19 | H34 | 109.2° | 109.4° |
| C21 | C19 | C20 | 109.9° | 109.5° |
| C19 | C21 | H11 | 109.5° | 109.5° |
| C19 | C21 | H12 | 109.5° | 109.5° |
| C19 | C21 | H13 | 109.5° | 109.5° |
| C21 | C19 | H34 | 109.2° | 109.5° |
| C19 | C20 | H8 | 109.5° | 109.5° |
| C19 | C20 | H9 | 109.4° | 109.5° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| C20 | C19 | H34 | 109.2° | 109.5° |
| N16 | C15 | O41 | 125.0° | 120.0° |
| N16 | C15 | C10 | 113.8° | 120.0° |
| C15 | N16 | H31 | 118.3° | 120.0° |
| O41 | C15 | C10 | 121.3° | 120.0° |
| C15 | C10 | C11 | 107.4° | 109.5° |
| C15 | C10 | N9 | 111.1° | 109.5° |
| C15 | C10 | H3 | 109.0° | 109.5° |
| C10 | C11 | C12 | 112.0° | 109.5° |
| C11 | C10 | N9 | 110.7° | 109.5° |
| C11 | C10 | H3 | 108.9° | 109.4° |
| C10 | C11 | H25 | 108.9° | 109.5° |
| C10 | C11 | H26 | 108.8° | 109.5° |
| C11 | C12 | C13 | 108.6° | 109.5° |
| C11 | C12 | C14 | 111.3° | 109.5° |
| C12 | C11 | H25 | 108.8° | 109.4° |
| C12 | C11 | H26 | 108.8° | 109.5° |
| C11 | C12 | H27 | 109.2° | 109.5° |
| C13 | C12 | C14 | 109.4° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C13 | C12 | H27 | 109.2° | 109.5° |
| C10 | N9 | C7 | 122.0° | 120.0° |
| N9 | C10 | H3 | 109.7° | 109.5° |
| C10 | N9 | H24 | 119.0° | 120.0° |
| C14 | C12 | H27 | 109.2° | 109.5° |
| C12 | C14 | H28 | 109.5° | 109.5° |
| C12 | C14 | H29 | 109.5° | 109.5° |
| C12 | C14 | H30 | 109.5° | 109.4° |
| N9 | C7 | O8 | 120.3° | 120.0° |
| N9 | C7 | O6 | 119.2° | 120.0° |
| C7 | N9 | H24 | 119.0° | 120.0° |
| O8 | C7 | O6 | 120.5° | 120.0° |
| C7 | O6 | C5 | 116.5° | 117.0° |
| O6 | C5 | C4 | 109.1° | 109.4° |
| O6 | C5 | H1 | 109.6° | 109.5° |
| O6 | C5 | H2 | 109.6° | 109.5° |
| C5 | C4 | C3 | 119.9° | 120.0° |
| C5 | C4 | C42 | 120.6° | 120.0° |
| C4 | C5 | H1 | 109.6° | 109.5° |
| C4 | C5 | H2 | 109.6° | 109.4° |
| C3 | C4 | C42 | 119.5° | 120.0° |
| C4 | C3 | C2 | 120.5° | 120.0° |
| C4 | C3 | H19 | 119.7° | 120.0° |
| C4 | C42 | C43 | 120.0° | 120.0° |
| C4 | C42 | H23 | 120.0° | 120.0° |
| C3 | C2 | C1 | 119.8° | 120.0° |
| C2 | C3 | H19 | 119.7° | 120.0° |
| C3 | C2 | H20 | 120.1° | 120.0° |
| C42 | C43 | C1 | 120.2° | 120.0° |
| C42 | C43 | H22 | 119.9° | 120.0° |
| C43 | C42 | H23 | 120.0° | 120.0° |
| C2 | C1 | C43 | 119.9° | 120.0° |
| C1 | C2 | H20 | 120.1° | 120.0° |
| C2 | C1 | H21 | 120.0° | 120.1° |
| C43 | C1 | H21 | 120.0° | 119.9° |
| C1 | C43 | H22 | 119.9° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H6 | 109.4° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H10 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.4° | 109.5° |
| H11 | C21 | H13 | 109.5° | 109.4° |
| H12 | C21 | H13 | 109.5° | 109.4° |
| H14 | C26 | H15 | 109.5° | 109.4° |
| H16 | C28 | H17 | 109.4° | 109.5° |
| H16 | C28 | H18 | 109.5° | 109.4° |
| H17 | C28 | H18 | 109.5° | 109.4° |
| H25 | C11 | H26 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.5° |
| H28 | C14 | H30 | 109.5° | 109.5° |
| H29 | C14 | H30 | 109.4° | 109.4° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.5° |
| H38 | C29 | H40 | 109.5° | 109.4° |
| H39 | C29 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H44 | 180.0° | 180.0° |
| C36 | C37 | C38 | H45 | 180.0° | 179.9° |
| C37 | C36 | C35 | N34 | 179.5° | 180.0° |
| C37 | C36 | C35 | C40 | 1.0° | 0.3° |
| C36 | C37 | C38 | C39 | 0.2° | 0.1° |
| C36 | C37 | C38 | H46 | 179.8° | 180.0° |
| C35 | C36 | C37 | C38 | 0.6° | 0.0° |
| C36 | C35 | N34 | C32 | 47.4° | 145.5° |
| C36 | C35 | N34 | C40 | 178.5° | 179.7° |
| C36 | C35 | C40 | C39 | 1.0° | 0.7° |
| C36 | C35 | N34 | H43 | 132.6° | 34.5° |
| C35 | C36 | C37 | H45 | 179.4° | 180.0° |
| C36 | C35 | C40 | H48 | 179.0° | 179.7° |
| C37 | C38 | C39 | H46 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.1° | 0.3° |
| C38 | C37 | C36 | H44 | 179.4° | 179.9° |
| C37 | C38 | C39 | H47 | 179.9° | 180.0° |
| O33 | C32 | C30 | N34 | 178.5° | 180.0° |
| O33 | C32 | N34 | C35 | 1.5° | 5.2° |
| O33 | C32 | C30 | O31 | 163.1° | 5.0° |
| O33 | C32 | C30 | C25 | 44.4° | 115.0° |
| O33 | C32 | C30 | H41 | 76.5° | 125.0° |
| O33 | C32 | N34 | H43 | 178.5° | 174.8° |
| C30 | C32 | N34 | C35 | 180.0° | 174.8° |
| C32 | C30 | O31 | C25 | 121.4° | 120.0° |
| C32 | C30 | O31 | H41 | 119.3° | 120.0° |
| C32 | C30 | C25 | H41 | 120.8° | 120.0° |
| C32 | C30 | C25 | C26 | 77.5° | 65.0° |
| C32 | C30 | C25 | N24 | 46.2° | 175.0° |
| C32 | C30 | C25 | H36 | 164.4° | 55.0° |
| C32 | C30 | O31 | H42 | 105.1° | 60.0° |
| C30 | C32 | N34 | H43 | 0.1° | 5.2° |
| C32 | N34 | C35 | H43 | 180.0° | 180.0° |
| C32 | N34 | C35 | C40 | 134.1° | 34.2° |
| N34 | C32 | C30 | O31 | 18.3° | 175.0° |
| N34 | C32 | C30 | C25 | 137.1° | 65.0° |
| N34 | C32 | C30 | H41 | 102.1° | 55.0° |
| N34 | C35 | C40 | C39 | 179.6° | 179.7° |
| N34 | C35 | C36 | H44 | 0.5° | 0.0° |
| N34 | C35 | C40 | H48 | 0.4° | 0.1° |
| C35 | C40 | C39 | C38 | 0.5° | 0.6° |
| C35 | C40 | C39 | H48 | 180.0° | 179.6° |
| C40 | C35 | N34 | H43 | 45.9° | 145.8° |
| C40 | C35 | C36 | H44 | 179.0° | 179.7° |
| C35 | C40 | C39 | H47 | 179.5° | 179.6° |
| O31 | C30 | C25 | H41 | 120.2° | 120.0° |
| O31 | C30 | C25 | C26 | 163.5° | 55.0° |
| O31 | C30 | C25 | N24 | 72.8° | 65.0° |
| O31 | C30 | C25 | H36 | 45.4° | 175.0° |
| C30 | C25 | C26 | N24 | 122.5° | 120.0° |
| C30 | C25 | C26 | H36 | 117.8° | 120.0° |
| C30 | C25 | C26 | C27 | 179.8° | 175.0° |
| C30 | C25 | N24 | H36 | 117.6° | 120.0° |
| C30 | C25 | N24 | C22 | 88.2° | 155.0° |
| C30 | C25 | C26 | H14 | 60.1° | 64.9° |
| C30 | C25 | C26 | H15 | 59.7° | 55.0° |
| C30 | C25 | N24 | H35 | 91.7° | 25.0° |
| C25 | C30 | O31 | H42 | 16.3° | 60.0° |
| C38 | C39 | C40 | H47 | 180.0° | 179.7° |
| C39 | C38 | C37 | H45 | 179.8° | 180.0° |
| C38 | C39 | C40 | H48 | 179.4° | 179.7° |
| C25 | C26 | C27 | H14 | 120.1° | 120.0° |
| C25 | C26 | C27 | H15 | 120.1° | 120.0° |
| C25 | C26 | C27 | C28 | 170.0° | 175.0° |
| C26 | C25 | N24 | H36 | 119.3° | 120.0° |
| C25 | C26 | C27 | C29 | 51.7° | 65.0° |
| C26 | C25 | N24 | C22 | 148.7° | 85.0° |
| C25 | C26 | H14 | H15 | 119.7° | 120.0° |
| C26 | C25 | N24 | H35 | 31.3° | 95.0° |
| C25 | C26 | C27 | H37 | 70.7° | 55.0° |
| C26 | C25 | C30 | H41 | 43.3° | 175.0° |
| C26 | C27 | C28 | C29 | 122.6° | 119.9° |
| C26 | C27 | C28 | H37 | 118.9° | 120.0° |
| C27 | C26 | C25 | N24 | 57.6° | 65.0° |
| C26 | C27 | C29 | H37 | 122.1° | 120.0° |
| C27 | C26 | H14 | H15 | 119.7° | 120.0° |
| C26 | C27 | C28 | H16 | 180.0° | 60.0° |
| C26 | C27 | C28 | H17 | 60.0° | 180.0° |
| C26 | C27 | C28 | H18 | 60.0° | 60.0° |
| C27 | C26 | C25 | H36 | 62.0° | 55.0° |
| C26 | C27 | C29 | H38 | 180.0° | 60.0° |
| C26 | C27 | C29 | H39 | 60.0° | 60.1° |
| C26 | C27 | C29 | H40 | 60.0° | 180.0° |
| C28 | C27 | C29 | H37 | 118.5° | 120.0° |
| C28 | C27 | C26 | H14 | 69.9° | 55.0° |
| C28 | C27 | C26 | H15 | 49.9° | 64.9° |
| C27 | C28 | H16 | H17 | 120.0° | 120.0° |
| C27 | C28 | H16 | H18 | 120.0° | 120.0° |
| C27 | C28 | H17 | H18 | 120.0° | 120.0° |
| C28 | C27 | C29 | H38 | 60.7° | 60.0° |
| C28 | C27 | C29 | H39 | 59.3° | 180.0° |
| C28 | C27 | C29 | H40 | 179.3° | 60.0° |
| C40 | C39 | C38 | H46 | 179.9° | 179.6° |
| C25 | N24 | C22 | H35 | 180.0° | 180.0° |
| C25 | N24 | C22 | O23 | 0.9° | 5.0° |
| C25 | N24 | C22 | C17 | 179.7° | 175.0° |
| N24 | C25 | C26 | H14 | 62.5° | 55.1° |
| N24 | C25 | C26 | H15 | 177.7° | 175.0° |
| N24 | C25 | C30 | H41 | 167.0° | 55.0° |
| C29 | C27 | C26 | H14 | 171.8° | 174.9° |
| C29 | C27 | C26 | H15 | 68.4° | 55.0° |
| C29 | C27 | C28 | H16 | 57.4° | 60.0° |
| C29 | C27 | C28 | H17 | 177.4° | 60.1° |
| C29 | C27 | C28 | H18 | 62.6° | 179.9° |
| C27 | C29 | H38 | H39 | 120.0° | 120.1° |
| C27 | C29 | H38 | H40 | 120.0° | 120.0° |
| C27 | C29 | H39 | H40 | 120.0° | 119.9° |
| N24 | C22 | O23 | C17 | 179.4° | 180.0° |
| N24 | C22 | C17 | C18 | 103.9° | 77.8° |
| N24 | C22 | C17 | N16 | 138.0° | 162.2° |
| N24 | C22 | C17 | H7 | 17.5° | 42.2° |
| C22 | N24 | C25 | H36 | 29.4° | 35.0° |
| O23 | C22 | C17 | C18 | 76.7° | 102.1° |
| O23 | C22 | C17 | N16 | 41.4° | 17.8° |
| O23 | C22 | C17 | H7 | 161.9° | 137.9° |
| O23 | C22 | N24 | H35 | 179.1° | 175.0° |
| C22 | C17 | C18 | N16 | 116.4° | 119.9° |
| C22 | C17 | C18 | H7 | 121.6° | 120.0° |
| C22 | C17 | N16 | H7 | 119.9° | 120.0° |
| C22 | C17 | C18 | C19 | 128.7° | 65.3° |
| C22 | C17 | N16 | C15 | 115.9° | 150.6° |
| C22 | C17 | N16 | H31 | 64.0° | 29.5° |
| C22 | C17 | C18 | H32 | 111.1° | 174.7° |
| C22 | C17 | C18 | H33 | 8.5° | 54.7° |
| C17 | C22 | N24 | H35 | 0.3° | 5.0° |
| C18 | C17 | N16 | H7 | 121.4° | 120.1° |
| C17 | C18 | C19 | H32 | 120.2° | 119.9° |
| C17 | C18 | C19 | H33 | 120.2° | 120.0° |
| C17 | C18 | C19 | C21 | 167.8° | 175.3° |
| C17 | C18 | C19 | C20 | 71.5° | 64.7° |
| C18 | C17 | N16 | C15 | 125.3° | 89.4° |
| C18 | C17 | N16 | H31 | 54.7° | 90.5° |
| C17 | C18 | H32 | H33 | 119.4° | 120.0° |
| C17 | C18 | C19 | H34 | 48.6° | 55.3° |
| N16 | C17 | C18 | C19 | 114.9° | 174.8° |
| C17 | N16 | C15 | H31 | 180.0° | 179.9° |
| C17 | N16 | C15 | O41 | 0.1° | 5.0° |
| C17 | N16 | C15 | C10 | 178.3° | 175.0° |
| N16 | C17 | C18 | H32 | 5.4° | 54.8° |
| N16 | C17 | C18 | H33 | 124.9° | 65.2° |
| C18 | C19 | C21 | C20 | 121.1° | 120.0° |
| C18 | C19 | C21 | H34 | 119.2° | 120.0° |
| C18 | C19 | C20 | H34 | 120.1° | 120.0° |
| C19 | C18 | C17 | H7 | 7.2° | 54.7° |
| C18 | C19 | C20 | H8 | 180.0° | 64.6° |
| C18 | C19 | C20 | H9 | 60.0° | 175.4° |
| C18 | C19 | C20 | H10 | 60.0° | 55.4° |
| C18 | C19 | C21 | H11 | 180.0° | 60.0° |
| C18 | C19 | C21 | H12 | 60.0° | 180.0° |
| C18 | C19 | C21 | H13 | 60.0° | 60.0° |
| C19 | C18 | H32 | H33 | 119.4° | 120.0° |
| C21 | C19 | C20 | H34 | 119.8° | 120.1° |
| C21 | C19 | C20 | H8 | 59.9° | 55.3° |
| C21 | C19 | C20 | H9 | 179.9° | 64.6° |
| C21 | C19 | C20 | H10 | 60.1° | 175.4° |
| C19 | C21 | H11 | H12 | 120.0° | 120.0° |
| C19 | C21 | H11 | H13 | 120.0° | 120.1° |
| C19 | C21 | H12 | H13 | 120.0° | 120.0° |
| C21 | C19 | C18 | H32 | 72.0° | 64.8° |
| C21 | C19 | C18 | H33 | 47.5° | 55.3° |
| C19 | C20 | H8 | H9 | 120.0° | 120.0° |
| C19 | C20 | H8 | H10 | 120.0° | 120.1° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C20 | C19 | C21 | H11 | 58.9° | 180.0° |
| C20 | C19 | C21 | H12 | 61.1° | 60.0° |
| C20 | C19 | C21 | H13 | 178.9° | 60.0° |
| C20 | C19 | C18 | H32 | 48.7° | 55.2° |
| C20 | C19 | C18 | H33 | 168.3° | 175.3° |
| N16 | C15 | O41 | C10 | 178.4° | 180.0° |
| N16 | C15 | C10 | C11 | 90.6° | 60.0° |
| N16 | C15 | C10 | N9 | 148.3° | 180.0° |
| N16 | C15 | C10 | H3 | 27.3° | 60.0° |
| C15 | N16 | C17 | H7 | 3.9° | 30.6° |
| O41 | C15 | C10 | C11 | 88.0° | 120.0° |
| O41 | C15 | C10 | N9 | 33.2° | 0.0° |
| O41 | C15 | C10 | H3 | 154.2° | 120.0° |
| O41 | C15 | N16 | H31 | 179.9° | 174.9° |
| C15 | C10 | C11 | N9 | 121.4° | 120.0° |
| C15 | C10 | C11 | H3 | 117.8° | 120.0° |
| C15 | C10 | C11 | C12 | 177.8° | 175.0° |
| C15 | C10 | N9 | H3 | 120.6° | 120.0° |
| C15 | C10 | N9 | C7 | 81.0° | 155.1° |
| C15 | C10 | N9 | H24 | 99.0° | 25.1° |
| C15 | C10 | C11 | H25 | 61.8° | 65.0° |
| C15 | C10 | C11 | H26 | 57.4° | 55.0° |
| C10 | C15 | N16 | H31 | 1.6° | 5.1° |
| C10 | C11 | C12 | H25 | 120.4° | 120.0° |
| C10 | C11 | C12 | H26 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 176.3° | 175.0° |
| C11 | C10 | N9 | H3 | 120.3° | 119.9° |
| C10 | C11 | C12 | C14 | 55.8° | 65.0° |
| C11 | C10 | N9 | C7 | 159.8° | 84.9° |
| C11 | C10 | N9 | H24 | 20.2° | 94.9° |
| C10 | C11 | H25 | H26 | 118.8° | 120.0° |
| C10 | C11 | C12 | H27 | 64.8° | 55.0° |
| C11 | C12 | C13 | C14 | 121.6° | 120.0° |
| C11 | C12 | C13 | H27 | 119.0° | 120.0° |
| C12 | C11 | C10 | N9 | 60.8° | 65.0° |
| C11 | C12 | C14 | H27 | 120.6° | 120.0° |
| C12 | C11 | C10 | H3 | 59.9° | 55.0° |
| C11 | C12 | C13 | H4 | 180.0° | 60.0° |
| C11 | C12 | C13 | H5 | 60.0° | 180.0° |
| C11 | C12 | C13 | H6 | 60.0° | 60.0° |
| C12 | C11 | H25 | H26 | 118.8° | 120.0° |
| C11 | C12 | C14 | H28 | 180.0° | 60.0° |
| C11 | C12 | C14 | H29 | 60.0° | 60.0° |
| C11 | C12 | C14 | H30 | 60.0° | 180.0° |
| C13 | C12 | C14 | H27 | 119.4° | 120.0° |
| C12 | C13 | H4 | H5 | 120.1° | 120.0° |
| C12 | C13 | H4 | H6 | 120.0° | 120.0° |
| C12 | C13 | H5 | H6 | 120.0° | 120.0° |
| C13 | C12 | C11 | H25 | 63.3° | 55.0° |
| C13 | C12 | C11 | H26 | 55.9° | 65.0° |
| C13 | C12 | C14 | H28 | 60.0° | 60.0° |
| C13 | C12 | C14 | H29 | 60.0° | 180.0° |
| C13 | C12 | C14 | H30 | 180.0° | 60.0° |
| C10 | N9 | C7 | H24 | 180.0° | 179.9° |
| C10 | N9 | C7 | O8 | 0.1° | 0.4° |
| C10 | N9 | C7 | O6 | 178.3° | 180.0° |
| N9 | C10 | C11 | H25 | 59.6° | 55.0° |
| N9 | C10 | C11 | H26 | 178.8° | 175.0° |
| C14 | C12 | C13 | H4 | 58.3° | 60.0° |
| C14 | C12 | C13 | H5 | 178.4° | 60.0° |
| C14 | C12 | C13 | H6 | 61.6° | 180.0° |
| C14 | C12 | C11 | H25 | 176.2° | 175.0° |
| C14 | C12 | C11 | H26 | 64.6° | 55.0° |
| C12 | C14 | H28 | H29 | 120.0° | 120.0° |
| C12 | C14 | H28 | H30 | 120.0° | 120.0° |
| C12 | C14 | H29 | H30 | 120.0° | 119.9° |
| N9 | C7 | O8 | O6 | 178.4° | 179.6° |
| N9 | C7 | O6 | C5 | 133.3° | 179.7° |
| C7 | N9 | C10 | H3 | 39.6° | 35.0° |
| O8 | C7 | O6 | C5 | 48.3° | 0.0° |
| O8 | C7 | N9 | H24 | 179.9° | 179.8° |
| C7 | O6 | C5 | C4 | 142.8° | 180.0° |
| C7 | O6 | C5 | H1 | 22.8° | 60.0° |
| C7 | O6 | C5 | H2 | 97.3° | 60.1° |
| O6 | C7 | N9 | H24 | 1.7° | 0.2° |
| O6 | C5 | C4 | H1 | 119.9° | 120.0° |
| O6 | C5 | C4 | H2 | 119.9° | 120.0° |
| O6 | C5 | C4 | C3 | 66.9° | 90.0° |
| O6 | C5 | C4 | C42 | 113.0° | 90.3° |
| O6 | C5 | H1 | H2 | 120.2° | 120.0° |
| C5 | C4 | C3 | C42 | 179.9° | 179.7° |
| C5 | C4 | C3 | C2 | 180.0° | 180.0° |
| C5 | C4 | C42 | C43 | 179.9° | 179.7° |
| C4 | C5 | H1 | H2 | 120.2° | 120.0° |
| C5 | C4 | C3 | H19 | 0.0° | 0.0° |
| C5 | C4 | C42 | H23 | 0.0° | 0.0° |
| C4 | C3 | C2 | H19 | 180.0° | 180.0° |
| C3 | C4 | C42 | C43 | 0.0° | 0.5° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C3 | C4 | C5 | H1 | 53.0° | 30.0° |
| C3 | C4 | C5 | H2 | 173.1° | 150.0° |
| C4 | C3 | C2 | H20 | 180.0° | 180.0° |
| C3 | C4 | C42 | H23 | 180.0° | 179.7° |
| C42 | C4 | C3 | C2 | 0.0° | 0.3° |
| C4 | C42 | C43 | H23 | 180.0° | 179.7° |
| C4 | C42 | C43 | C1 | 0.0° | 0.5° |
| C42 | C4 | C5 | H1 | 127.1° | 149.7° |
| C42 | C4 | C5 | H2 | 6.9° | 29.7° |
| C42 | C4 | C3 | H19 | 180.0° | 179.7° |
| C4 | C42 | C43 | H22 | 180.0° | 179.7° |
| C3 | C2 | C1 | H20 | 180.0° | 180.0° |
| C3 | C2 | C1 | C43 | 0.0° | 0.0° |
| C3 | C2 | C1 | H21 | 180.0° | 180.0° |
| C42 | C43 | C1 | C2 | 0.0° | 0.3° |
| C42 | C43 | C1 | H22 | 180.0° | 179.7° |
| C42 | C43 | C1 | H21 | 180.0° | 179.7° |
| C2 | C1 | C43 | H21 | 180.0° | 180.0° |
| C1 | C2 | C3 | H19 | 180.0° | 180.0° |
| C2 | C1 | C43 | H22 | 180.0° | 180.0° |
| C43 | C1 | C2 | H20 | 180.0° | 180.0° |
| C1 | C43 | C42 | H23 | 180.0° | 179.7° |
| H3 | C10 | N9 | H24 | 140.5° | 145.1° |
| H3 | C10 | C11 | H25 | 179.7° | 174.9° |
| H3 | C10 | C11 | H26 | 60.4° | 65.0° |
| H4 | C13 | H5 | H6 | 119.9° | 120.0° |
| H4 | C13 | C12 | H27 | 61.1° | 180.0° |
| H5 | C13 | C12 | H27 | 59.0° | 60.0° |
| H6 | C13 | C12 | H27 | 179.0° | 60.0° |
| H7 | C17 | N16 | H31 | 176.1° | 149.4° |
| H7 | C17 | C18 | H32 | 127.4° | 65.3° |
| H7 | C17 | C18 | H33 | 113.1° | 174.7° |
| H8 | C20 | H9 | H10 | 120.0° | 119.9° |
| H8 | C20 | C19 | H34 | 59.9° | 175.4° |
| H9 | C20 | C19 | H34 | 60.1° | 55.4° |
| H10 | C20 | C19 | H34 | 179.9° | 64.6° |
| H11 | C21 | H12 | H13 | 120.0° | 119.9° |
| H11 | C21 | C19 | H34 | 60.8° | 60.0° |
| H12 | C21 | C19 | H34 | 179.2° | 60.0° |
| H13 | C21 | C19 | H34 | 59.2° | 180.0° |
| H14 | C26 | C25 | H36 | 177.9° | 175.1° |
| H14 | C26 | C27 | H37 | 49.4° | 65.0° |
| H15 | C26 | C25 | H36 | 58.1° | 65.0° |
| H15 | C26 | C27 | H37 | 169.2° | 175.1° |
| H16 | C28 | H17 | H18 | 120.0° | 120.0° |
| H16 | C28 | C27 | H37 | 61.1° | 180.0° |
| H17 | C28 | C27 | H37 | 58.9° | 60.0° |
| H18 | C28 | C27 | H37 | 178.9° | 60.0° |
| H19 | C3 | C2 | H20 | 0.0° | 0.1° |
| H20 | C2 | C1 | H21 | 0.0° | 0.0° |
| H21 | C1 | C43 | H22 | 0.0° | 0.0° |
| H22 | C43 | C42 | H23 | 0.0° | 0.0° |
| H25 | C11 | C12 | H27 | 55.6° | 65.0° |
| H26 | C11 | C12 | H27 | 174.9° | 175.0° |
| H27 | C12 | C14 | H28 | 59.5° | 180.0° |
| H27 | C12 | C14 | H29 | 179.5° | 59.9° |
| H27 | C12 | C14 | H30 | 60.6° | 60.0° |
| H28 | C14 | H29 | H30 | 120.0° | 120.0° |
| H32 | C18 | C19 | H34 | 168.8° | 175.2° |
| H33 | C18 | C19 | H34 | 71.7° | 64.8° |
| H35 | N24 | C25 | H36 | 150.6° | 145.0° |
| H36 | C25 | C30 | H41 | 74.8° | 65.0° |
| H37 | C27 | C29 | H38 | 57.9° | 180.0° |
| H37 | C27 | C29 | H39 | 177.9° | 59.9° |
| H37 | C27 | C29 | H40 | 62.1° | 60.0° |
| H38 | C29 | H39 | H40 | 120.0° | 119.9° |
| H41 | C30 | O31 | H42 | 135.5° | 180.0° |
| H44 | C36 | C37 | H45 | 0.6° | 0.0° |
| H45 | C37 | C38 | H46 | 0.2° | 0.1° |
| H46 | C38 | C39 | H47 | 0.1° | 0.1° |
| H47 | C39 | C40 | H48 | 0.6° | 0.0° |
