O20
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | sing | 1.53Å | 1.51Å | |
| C39 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.37Å | Aromatic |
| CL1 | C38 | sing | 1.74Å | 1.73Å | |
| C16 | C19 | sing | 1.53Å | 1.51Å | |
| C16 | O15 | sing | 1.43Å | 1.46Å | |
| C40 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C35 | C30 | sing | 1.51Å | 1.51Å | |
| C34 | N33 | sing | 1.47Å | 1.47Å | |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| O15 | C11 | sing | 1.43Å | 1.45Å | |
| C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | N10 | sing | 1.47Å | 1.46Å | |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| N5 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C37 | C42 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C36 | sing | 1.51Å | 1.51Å | |
| C9 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C8 | doub | 1.41Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.48Å | |
| C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | N10 | sing | 1.39Å | 1.38Å | |
| N33 | C36 | sing | 1.47Å | 1.47Å | |
| N33 | C32 | sing | 1.47Å | 1.46Å | |
| C7 | C11 | sing | 1.51Å | 1.50Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C2 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| N10 | C20 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C25 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C26 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C29 | C32 | sing | 1.51Å | 1.50Å | |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C12 | O13 | sing | 1.34Å | 1.30Å | |
| C12 | O14 | doub | 1.21Å | 1.25Å | |
| C18 | H53 | sing | 1.09Å | 1.10Å | |
| C18 | H55 | sing | 1.09Å | 1.10Å | |
| C18 | H54 | sing | 1.09Å | 1.10Å | |
| C17 | H51 | sing | 1.09Å | 1.10Å | |
| C17 | H50 | sing | 1.09Å | 1.10Å | |
| C17 | H52 | sing | 1.09Å | 1.10Å | |
| C19 | H57 | sing | 1.09Å | 1.10Å | |
| C19 | H56 | sing | 1.09Å | 1.10Å | |
| C19 | H58 | sing | 1.09Å | 1.10Å | |
| C20 | H59 | sing | 1.09Å | 1.10Å | |
| C20 | H60 | sing | 1.09Å | 1.10Å | |
| C21 | H61 | sing | 1.09Å | 1.10Å | |
| C21 | H62 | sing | 1.09Å | 1.10Å | |
| C23 | H63 | sing | 1.09Å | 1.10Å | |
| C23 | H64 | sing | 1.09Å | 1.10Å | |
| C24 | H65 | sing | 1.09Å | 1.10Å | |
| C24 | H66 | sing | 1.09Å | 1.10Å | |
| C11 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | H79 | sing | 1.09Å | 1.10Å | |
| C34 | H78 | sing | 1.09Å | 1.10Å | |
| C27 | H73 | sing | 1.08Å | 1.08Å | |
| C4 | H44 | sing | 1.08Å | 1.08Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C9 | H46 | sing | 1.09Å | 1.10Å | |
| C9 | H47 | sing | 1.09Å | 1.10Å | |
| O13 | H49 | sing | 0.97Å | 0.95Å | |
| C25 | H68 | sing | 1.09Å | 1.10Å | |
| C25 | H69 | sing | 1.09Å | 1.10Å | |
| C25 | H67 | sing | 1.09Å | 1.10Å | |
| C26 | H70 | sing | 1.09Å | 1.10Å | |
| C26 | H71 | sing | 1.09Å | 1.10Å | |
| C26 | H72 | sing | 1.09Å | 1.10Å | |
| C28 | H74 | sing | 1.08Å | 1.08Å | |
| C31 | H75 | sing | 1.08Å | 1.08Å | |
| C32 | H76 | sing | 1.09Å | 1.10Å | |
| C32 | H77 | sing | 1.09Å | 1.10Å | |
| C35 | H81 | sing | 1.09Å | 1.10Å | |
| C35 | H80 | sing | 1.09Å | 1.10Å | |
| C36 | H82 | sing | 1.09Å | 1.10Å | |
| C36 | H83 | sing | 1.09Å | 1.10Å | |
| C39 | H84 | sing | 1.08Å | 1.08Å | |
| C40 | H85 | sing | 1.08Å | 1.08Å | |
| C41 | H86 | sing | 1.08Å | 1.08Å | |
| C43 | H87 | sing | 1.09Å | 1.10Å | |
| C43 | H89 | sing | 1.09Å | 1.10Å | |
| C43 | H88 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C18 | 110.5° | 109.4° |
| C17 | C16 | C19 | 111.2° | 109.5° |
| C17 | C16 | O15 | 102.5° | 109.5° |
| C16 | C17 | H51 | 109.5° | 109.4° |
| C16 | C17 | H50 | 109.5° | 109.4° |
| C16 | C17 | H52 | 109.5° | 109.5° |
| C18 | C16 | C19 | 108.8° | 109.5° |
| C18 | C16 | O15 | 114.7° | 109.5° |
| C16 | C18 | H53 | 109.5° | 109.5° |
| C16 | C18 | H55 | 109.4° | 109.4° |
| C16 | C18 | H54 | 109.5° | 109.4° |
| C40 | C39 | C38 | 118.9° | 120.0° |
| C39 | C40 | C41 | 120.0° | 120.0° |
| C40 | C39 | H84 | 120.5° | 119.9° |
| C39 | C40 | H85 | 120.0° | 120.0° |
| C39 | C38 | CL1 | 118.0° | 120.0° |
| C39 | C38 | C37 | 123.2° | 120.0° |
| C38 | C39 | H84 | 120.6° | 120.1° |
| CL1 | C38 | C37 | 118.6° | 120.0° |
| C19 | C16 | O15 | 109.1° | 109.5° |
| C16 | C19 | H57 | 109.5° | 109.5° |
| C16 | C19 | H56 | 109.4° | 109.4° |
| C16 | C19 | H58 | 109.5° | 109.5° |
| C16 | O15 | C11 | 118.5° | 114.0° |
| C40 | C41 | C42 | 121.5° | 120.0° |
| C41 | C40 | H85 | 120.0° | 120.0° |
| C40 | C41 | H86 | 119.3° | 120.0° |
| C38 | C37 | C42 | 116.9° | 120.0° |
| C38 | C37 | C36 | 122.2° | 120.0° |
| C34 | C35 | C30 | 112.6° | 110.0° |
| C35 | C34 | N33 | 111.8° | 108.4° |
| C35 | C34 | H79 | 108.9° | 109.6° |
| C35 | C34 | H78 | 108.9° | 109.8° |
| C34 | C35 | H81 | 108.7° | 109.5° |
| C34 | C35 | H80 | 108.7° | 109.4° |
| C35 | C30 | C31 | 120.8° | 118.4° |
| C35 | C30 | C29 | 119.9° | 121.6° |
| C30 | C35 | H81 | 108.7° | 109.3° |
| C30 | C35 | H80 | 108.7° | 109.5° |
| C34 | N33 | C36 | 112.7° | 111.0° |
| C34 | N33 | C32 | 108.7° | 110.3° |
| N33 | C34 | H79 | 108.9° | 109.6° |
| N33 | C34 | H78 | 108.9° | 109.7° |
| C30 | C31 | C2 | 121.0° | 120.2° |
| C31 | C30 | C29 | 119.3° | 120.0° |
| C30 | C31 | H75 | 119.5° | 119.8° |
| C31 | C2 | C3 | 123.0° | 120.2° |
| C31 | C2 | C27 | 117.9° | 119.6° |
| C2 | C31 | H75 | 119.5° | 119.9° |
| C24 | C23 | C22 | 113.5° | 109.3° |
| C23 | C24 | N10 | 110.6° | 109.5° |
| C24 | C23 | H63 | 108.5° | 109.5° |
| C24 | C23 | H64 | 108.4° | 109.5° |
| C23 | C24 | H65 | 109.2° | 109.5° |
| C23 | C24 | H66 | 109.2° | 109.5° |
| C23 | C22 | C25 | 110.3° | 109.5° |
| C23 | C22 | C26 | 111.4° | 109.5° |
| C23 | C22 | C21 | 108.8° | 109.1° |
| C22 | C23 | H63 | 108.4° | 109.5° |
| C22 | C23 | H64 | 108.5° | 109.5° |
| O15 | C11 | C7 | 111.7° | 109.5° |
| O15 | C11 | C12 | 108.1° | 109.5° |
| O15 | C11 | H48 | 110.2° | 109.5° |
| C41 | C42 | C37 | 119.4° | 120.0° |
| C41 | C42 | C43 | 118.8° | 119.9° |
| C42 | C41 | H86 | 119.3° | 120.0° |
| C24 | N10 | C8 | 123.5° | 111.0° |
| C24 | N10 | C20 | 110.2° | 111.2° |
| N10 | C24 | H65 | 109.2° | 109.5° |
| N10 | C24 | H66 | 109.2° | 109.5° |
| C30 | C29 | C32 | 122.0° | 121.8° |
| C30 | C29 | C28 | 119.4° | 119.9° |
| N5 | C4 | C3 | 125.0° | 120.7° |
| C4 | N5 | C6 | 118.8° | 122.0° |
| N5 | C4 | H44 | 117.5° | 119.6° |
| C4 | C3 | C8 | 116.0° | 118.8° |
| C4 | C3 | C2 | 119.9° | 120.6° |
| C3 | C4 | H44 | 117.5° | 119.7° |
| N5 | C6 | C9 | 115.8° | 119.5° |
| N5 | C6 | C7 | 122.2° | 121.1° |
| C42 | C37 | C36 | 120.9° | 120.0° |
| C37 | C42 | C43 | 121.8° | 120.0° |
| C37 | C36 | N33 | 113.8° | 109.5° |
| C37 | C36 | H82 | 108.4° | 109.5° |
| C37 | C36 | H83 | 108.4° | 109.4° |
| C9 | C6 | C7 | 121.9° | 119.5° |
| C6 | C9 | H45 | 109.5° | 109.5° |
| C6 | C9 | H46 | 109.5° | 109.5° |
| C6 | C9 | H47 | 109.5° | 109.5° |
| C6 | C7 | C8 | 117.5° | 119.2° |
| C6 | C7 | C11 | 121.5° | 120.4° |
| C8 | C3 | C2 | 123.1° | 120.6° |
| C3 | C8 | C7 | 120.4° | 118.1° |
| C3 | C8 | N10 | 120.8° | 120.9° |
| C3 | C2 | C27 | 119.1° | 120.2° |
| C7 | C8 | N10 | 118.7° | 120.9° |
| C8 | C7 | C11 | 121.0° | 120.4° |
| C8 | N10 | C20 | 119.4° | 111.0° |
| C36 | N33 | C32 | 109.8° | 111.0° |
| N33 | C36 | H82 | 108.4° | 109.5° |
| N33 | C36 | H83 | 108.4° | 109.5° |
| N33 | C32 | C29 | 105.4° | 110.5° |
| N33 | C32 | H76 | 110.5° | 109.3° |
| N33 | C32 | H77 | 110.5° | 109.3° |
| C7 | C11 | C12 | 108.1° | 109.5° |
| C7 | C11 | H48 | 109.5° | 109.4° |
| C42 | C43 | H87 | 109.5° | 109.5° |
| C42 | C43 | H89 | 109.5° | 109.5° |
| C42 | C43 | H88 | 109.4° | 109.5° |
| C2 | C27 | C28 | 121.6° | 119.7° |
| C2 | C27 | H73 | 119.2° | 120.2° |
| N10 | C20 | C21 | 110.9° | 109.5° |
| N10 | C20 | H59 | 109.1° | 109.5° |
| N10 | C20 | H60 | 109.1° | 109.5° |
| C11 | C12 | O13 | 114.1° | 120.0° |
| C11 | C12 | O14 | 121.5° | 120.0° |
| C12 | C11 | H48 | 109.1° | 109.5° |
| C25 | C22 | C26 | 107.6° | 109.5° |
| C25 | C22 | C21 | 108.8° | 109.6° |
| C22 | C25 | H68 | 109.5° | 109.4° |
| C22 | C25 | H69 | 109.4° | 109.4° |
| C22 | C25 | H67 | 109.4° | 109.5° |
| C26 | C22 | C21 | 109.9° | 109.5° |
| C22 | C26 | H70 | 109.5° | 109.5° |
| C22 | C26 | H71 | 109.5° | 109.5° |
| C22 | C26 | H72 | 109.4° | 109.4° |
| C22 | C21 | C20 | 114.8° | 109.3° |
| C22 | C21 | H61 | 108.1° | 109.5° |
| C22 | C21 | H62 | 108.1° | 109.5° |
| C32 | C29 | C28 | 118.5° | 118.4° |
| C29 | C32 | H76 | 110.5° | 109.3° |
| C29 | C32 | H77 | 110.5° | 109.2° |
| C29 | C28 | C27 | 120.7° | 120.6° |
| C29 | C28 | H74 | 119.6° | 119.7° |
| C28 | C27 | H73 | 119.2° | 120.1° |
| C27 | C28 | H74 | 119.7° | 119.7° |
| C21 | C20 | H59 | 109.1° | 109.5° |
| C21 | C20 | H60 | 109.1° | 109.5° |
| C20 | C21 | H61 | 108.2° | 109.5° |
| C20 | C21 | H62 | 108.1° | 109.5° |
| O13 | C12 | O14 | 124.4° | 120.0° |
| C12 | O13 | H49 | 109.5° | 117.0° |
| H53 | C18 | H55 | 109.5° | 109.5° |
| H53 | C18 | H54 | 109.4° | 109.5° |
| H55 | C18 | H54 | 109.5° | 109.5° |
| H51 | C17 | H50 | 109.5° | 109.4° |
| H51 | C17 | H52 | 109.5° | 109.5° |
| H50 | C17 | H52 | 109.5° | 109.5° |
| H57 | C19 | H56 | 109.4° | 109.5° |
| H57 | C19 | H58 | 109.5° | 109.5° |
| H56 | C19 | H58 | 109.5° | 109.5° |
| H59 | C20 | H60 | 109.5° | 109.4° |
| H61 | C21 | H62 | 109.5° | 109.5° |
| H63 | C23 | H64 | 109.5° | 109.6° |
| H65 | C24 | H66 | 109.4° | 109.4° |
| H79 | C34 | H78 | 109.5° | 109.7° |
| H45 | C9 | H46 | 109.5° | 109.4° |
| H45 | C9 | H47 | 109.5° | 109.4° |
| H46 | C9 | H47 | 109.4° | 109.5° |
| H68 | C25 | H69 | 109.4° | 109.4° |
| H68 | C25 | H67 | 109.5° | 109.5° |
| H69 | C25 | H67 | 109.5° | 109.5° |
| H70 | C26 | H71 | 109.5° | 109.5° |
| H70 | C26 | H72 | 109.5° | 109.5° |
| H71 | C26 | H72 | 109.5° | 109.5° |
| H76 | C32 | H77 | 109.5° | 109.2° |
| H81 | C35 | H80 | 109.5° | 109.3° |
| H82 | C36 | H83 | 109.5° | 109.5° |
| H87 | C43 | H89 | 109.4° | 109.5° |
| H87 | C43 | H88 | 109.5° | 109.4° |
| H89 | C43 | H88 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C18 | C19 | 122.4° | 120.0° |
| C17 | C16 | C18 | O15 | 115.2° | 120.0° |
| C17 | C16 | C19 | O15 | 112.3° | 120.0° |
| C17 | C16 | O15 | C11 | 178.1° | 65.4° |
| C17 | C16 | C18 | H53 | 180.0° | 60.0° |
| C17 | C16 | C18 | H55 | 60.0° | 180.0° |
| C17 | C16 | C18 | H54 | 60.0° | 60.0° |
| C16 | C17 | H51 | H50 | 120.0° | 119.9° |
| C16 | C17 | H51 | H52 | 120.0° | 120.0° |
| C16 | C17 | H50 | H52 | 120.0° | 120.0° |
| C17 | C16 | C19 | H57 | 180.0° | 180.0° |
| C17 | C16 | C19 | H56 | 60.0° | 60.0° |
| C17 | C16 | C19 | H58 | 60.0° | 60.0° |
| C18 | C16 | C19 | O15 | 125.7° | 120.0° |
| C18 | C16 | O15 | C11 | 58.4° | 54.5° |
| C16 | C18 | H53 | H55 | 120.0° | 120.0° |
| C16 | C18 | H53 | H54 | 120.0° | 120.0° |
| C16 | C18 | H55 | H54 | 120.0° | 119.9° |
| C18 | C16 | C17 | H51 | 180.0° | 69.7° |
| C18 | C16 | C17 | H50 | 60.0° | 170.4° |
| C18 | C16 | C17 | H52 | 60.0° | 50.3° |
| C18 | C16 | C19 | H57 | 58.1° | 60.0° |
| C18 | C16 | C19 | H56 | 178.0° | 180.0° |
| C18 | C16 | C19 | H58 | 61.9° | 60.0° |
| C40 | C39 | C38 | H84 | 180.0° | 179.9° |
| C40 | C39 | C38 | CL1 | 172.0° | 179.9° |
| C39 | C40 | C41 | H85 | 180.0° | 179.9° |
| C40 | C39 | C38 | C37 | 2.9° | 0.1° |
| C39 | C40 | C41 | C42 | 0.6° | 0.0° |
| C39 | C40 | C41 | H86 | 179.4° | 180.0° |
| C39 | C38 | CL1 | C37 | 175.1° | 180.0° |
| C38 | C39 | C40 | C41 | 1.4° | 0.0° |
| C39 | C38 | C37 | C42 | 2.2° | 0.0° |
| C39 | C38 | C37 | C36 | 178.8° | 179.7° |
| C38 | C39 | C40 | H85 | 178.6° | 180.0° |
| CL1 | C38 | C37 | C42 | 172.6° | 180.0° |
| CL1 | C38 | C37 | C36 | 6.3° | 0.3° |
| CL1 | C38 | C39 | H84 | 8.0° | 0.1° |
| C19 | C16 | O15 | C11 | 63.9° | 174.5° |
| C19 | C16 | C18 | H53 | 57.6° | 180.0° |
| C19 | C16 | C18 | H55 | 62.4° | 60.0° |
| C19 | C16 | C18 | H54 | 177.6° | 60.0° |
| C19 | C16 | C17 | H51 | 59.0° | 50.3° |
| C19 | C16 | C17 | H50 | 179.0° | 69.6° |
| C19 | C16 | C17 | H52 | 61.0° | 170.3° |
| C16 | C19 | H57 | H56 | 120.0° | 120.0° |
| C16 | C19 | H57 | H58 | 120.0° | 120.0° |
| C16 | C19 | H56 | H58 | 120.0° | 120.0° |
| C16 | O15 | C11 | C7 | 84.8° | 152.9° |
| C16 | O15 | C11 | C12 | 156.4° | 87.1° |
| O15 | C16 | C18 | H53 | 64.8° | 60.0° |
| O15 | C16 | C18 | H55 | 175.2° | 60.0° |
| O15 | C16 | C18 | H54 | 55.2° | 180.0° |
| O15 | C16 | C17 | H51 | 57.4° | 170.4° |
| O15 | C16 | C17 | H50 | 62.6° | 50.4° |
| O15 | C16 | C17 | H52 | 177.4° | 69.6° |
| O15 | C16 | C19 | H57 | 67.7° | 60.0° |
| O15 | C16 | C19 | H56 | 52.3° | 60.0° |
| O15 | C16 | C19 | H58 | 172.3° | 180.0° |
| C16 | O15 | C11 | H48 | 37.2° | 32.9° |
| C40 | C41 | C42 | H86 | 180.0° | 180.0° |
| C40 | C41 | C42 | C37 | 1.3° | 0.1° |
| C40 | C41 | C42 | C43 | 179.3° | 179.7° |
| C41 | C40 | C39 | H84 | 178.6° | 179.9° |
| C38 | C37 | C42 | C41 | 0.1° | 0.0° |
| C38 | C37 | C42 | C36 | 179.0° | 179.7° |
| C38 | C37 | C36 | N33 | 92.5° | 89.7° |
| C38 | C37 | C42 | C43 | 179.3° | 179.7° |
| C38 | C37 | C36 | H82 | 146.9° | 150.3° |
| C38 | C37 | C36 | H83 | 28.1° | 30.3° |
| C37 | C38 | C39 | H84 | 177.1° | 179.9° |
| C34 | C35 | C30 | H81 | 120.5° | 120.2° |
| C34 | C35 | C30 | H80 | 120.5° | 120.2° |
| C35 | C34 | N33 | H79 | 120.4° | 119.6° |
| C35 | C34 | N33 | H78 | 120.4° | 119.9° |
| C34 | C35 | C30 | C31 | 177.4° | 163.2° |
| C34 | C35 | C30 | C29 | 4.6° | 17.0° |
| C35 | C34 | N33 | C36 | 170.2° | 165.3° |
| C35 | C34 | N33 | C32 | 67.8° | 71.3° |
| C35 | C34 | H79 | H78 | 118.9° | 120.6° |
| C34 | C35 | H81 | H80 | 118.6° | 119.7° |
| C30 | C35 | C34 | N33 | 33.3° | 50.5° |
| C35 | C30 | C31 | C29 | 178.0° | 179.8° |
| C35 | C30 | C31 | C2 | 176.4° | 179.6° |
| C35 | C30 | C29 | C32 | 7.9° | 0.6° |
| C35 | C30 | C29 | C28 | 175.3° | 179.5° |
| C30 | C35 | C34 | H79 | 153.6° | 69.1° |
| C30 | C35 | C34 | H78 | 87.1° | 170.3° |
| C35 | C30 | C31 | H75 | 3.6° | 0.4° |
| C30 | C35 | H81 | H80 | 118.6° | 119.8° |
| C34 | N33 | C36 | C37 | 95.5° | 170.0° |
| C34 | N33 | C36 | C32 | 121.4° | 123.0° |
| C34 | N33 | C32 | C29 | 66.7° | 52.6° |
| N33 | C34 | H79 | H78 | 118.9° | 120.5° |
| C34 | N33 | C32 | H76 | 174.0° | 67.7° |
| C34 | N33 | C32 | H77 | 52.7° | 172.8° |
| N33 | C34 | C35 | H81 | 153.8° | 170.6° |
| N33 | C34 | C35 | H80 | 87.2° | 69.7° |
| C34 | N33 | C36 | H82 | 143.9° | 50.0° |
| C34 | N33 | C36 | H83 | 25.1° | 70.1° |
| C30 | C31 | C2 | H75 | 180.0° | 180.0° |
| C30 | C31 | C2 | C3 | 177.7° | 180.0° |
| C30 | C31 | C2 | C27 | 0.3° | 0.1° |
| C31 | C30 | C29 | C32 | 174.0° | 179.7° |
| C31 | C30 | C29 | C28 | 2.7° | 0.3° |
| C31 | C30 | C35 | H81 | 56.9° | 43.0° |
| C31 | C30 | C35 | H80 | 62.1° | 76.7° |
| C2 | C31 | C30 | C29 | 1.6° | 0.2° |
| C31 | C2 | C3 | C4 | 56.8° | 56.8° |
| C31 | C2 | C3 | C8 | 134.9° | 122.9° |
| C31 | C2 | C3 | C27 | 178.0° | 179.9° |
| C31 | C2 | C27 | C28 | 1.1° | 0.0° |
| C31 | C2 | C27 | H73 | 178.9° | 179.9° |
| C24 | C23 | C22 | H63 | 120.6° | 119.9° |
| C24 | C23 | C22 | H64 | 120.6° | 119.9° |
| C23 | C24 | N10 | H65 | 120.2° | 120.0° |
| C23 | C24 | N10 | H66 | 120.2° | 120.0° |
| C23 | C24 | N10 | C8 | 147.9° | 174.2° |
| C23 | C24 | N10 | C20 | 61.5° | 61.7° |
| C24 | C23 | C22 | C25 | 166.5° | 177.6° |
| C24 | C23 | C22 | C26 | 74.1° | 62.3° |
| C24 | C23 | C22 | C21 | 47.2° | 57.6° |
| C24 | C23 | H63 | H64 | 118.1° | 120.1° |
| C23 | C24 | H65 | H66 | 119.5° | 120.0° |
| C22 | C23 | C24 | N10 | 56.1° | 59.2° |
| C23 | C22 | C25 | C26 | 121.7° | 120.1° |
| C23 | C22 | C25 | C21 | 119.3° | 119.7° |
| C23 | C22 | C26 | C21 | 120.7° | 119.7° |
| C23 | C22 | C21 | C20 | 46.5° | 57.6° |
| C23 | C22 | C21 | H61 | 74.3° | 177.6° |
| C23 | C22 | C21 | H62 | 167.2° | 62.3° |
| C22 | C23 | H63 | H64 | 118.2° | 120.1° |
| C22 | C23 | C24 | H65 | 64.0° | 60.9° |
| C22 | C23 | C24 | H66 | 176.3° | 179.2° |
| C23 | C22 | C25 | H68 | 180.0° | 179.8° |
| C23 | C22 | C25 | H69 | 60.0° | 59.9° |
| C23 | C22 | C25 | H67 | 60.0° | 60.1° |
| C23 | C22 | C26 | H70 | 180.0° | 179.0° |
| C23 | C22 | C26 | H71 | 60.0° | 60.9° |
| C23 | C22 | C26 | H72 | 60.0° | 59.1° |
| O15 | C11 | C7 | C6 | 48.9° | 46.9° |
| O15 | C11 | C7 | C8 | 129.9° | 133.0° |
| O15 | C11 | C7 | C12 | 118.8° | 120.0° |
| O15 | C11 | C7 | H48 | 122.4° | 120.0° |
| O15 | C11 | C12 | H48 | 119.9° | 120.0° |
| O15 | C11 | C12 | O13 | 22.4° | 175.7° |
| O15 | C11 | C12 | O14 | 157.2° | 4.3° |
| C41 | C42 | C37 | C43 | 179.4° | 179.8° |
| C41 | C42 | C37 | C36 | 179.1° | 179.7° |
| C42 | C41 | C40 | H85 | 179.4° | 179.9° |
| C41 | C42 | C43 | H87 | 89.7° | 90.3° |
| C41 | C42 | C43 | H89 | 150.3° | 29.7° |
| C41 | C42 | C43 | H88 | 30.3° | 149.7° |
| C24 | N10 | C8 | C3 | 38.0° | 122.7° |
| C24 | N10 | C8 | C7 | 139.9° | 57.5° |
| C24 | N10 | C8 | C20 | 148.1° | 124.2° |
| C24 | N10 | C20 | C21 | 60.3° | 61.7° |
| C24 | N10 | C20 | H59 | 60.0° | 178.2° |
| C24 | N10 | C20 | H60 | 179.6° | 58.3° |
| N10 | C24 | C23 | H63 | 64.5° | 179.1° |
| N10 | C24 | C23 | H64 | 176.7° | 60.8° |
| N10 | C24 | H65 | H66 | 119.5° | 120.0° |
| C30 | C29 | C32 | N33 | 38.3° | 17.6° |
| C30 | C29 | C32 | C28 | 176.8° | 180.0° |
| C30 | C29 | C28 | C27 | 1.9° | 0.2° |
| C30 | C29 | C28 | H74 | 178.1° | 179.9° |
| C29 | C30 | C31 | H75 | 178.4° | 179.8° |
| C30 | C29 | C32 | H76 | 157.6° | 102.7° |
| C30 | C29 | C32 | H77 | 81.1° | 137.8° |
| C29 | C30 | C35 | H81 | 125.0° | 137.2° |
| C29 | C30 | C35 | H80 | 115.9° | 103.1° |
| N5 | C4 | C3 | H44 | 180.0° | 179.9° |
| C4 | N5 | C6 | C9 | 175.7° | 180.0° |
| C4 | N5 | C6 | C7 | 0.2° | 0.1° |
| N5 | C4 | C3 | C8 | 3.8° | 0.0° |
| N5 | C4 | C3 | C2 | 165.3° | 179.7° |
| C3 | C4 | N5 | C6 | 2.2° | 0.1° |
| C4 | C3 | C8 | C2 | 168.7° | 179.7° |
| C4 | C3 | C8 | C7 | 3.1° | 0.0° |
| C4 | C3 | C8 | N10 | 174.8° | 179.7° |
| C4 | C3 | C2 | C27 | 121.1° | 123.1° |
| N5 | C6 | C9 | C7 | 175.5° | 180.0° |
| N5 | C6 | C7 | C8 | 0.7° | 0.1° |
| N5 | C6 | C7 | C11 | 178.1° | 180.0° |
| C6 | N5 | C4 | H44 | 177.8° | 180.0° |
| N5 | C6 | C9 | H45 | 0.0° | 90.0° |
| N5 | C6 | C9 | H46 | 120.0° | 150.0° |
| N5 | C6 | C9 | H47 | 120.0° | 29.9° |
| C42 | C37 | C36 | N33 | 88.6° | 90.0° |
| C42 | C37 | C36 | H82 | 32.1° | 30.0° |
| C42 | C37 | C36 | H83 | 150.8° | 150.0° |
| C37 | C42 | C41 | H86 | 178.7° | 180.0° |
| C37 | C42 | C43 | H87 | 89.7° | 89.9° |
| C37 | C42 | C43 | H89 | 30.3° | 150.0° |
| C37 | C42 | C43 | H88 | 150.3° | 30.0° |
| C37 | C36 | N33 | H82 | 120.6° | 120.0° |
| C37 | C36 | N33 | H83 | 120.6° | 119.9° |
| C37 | C36 | N33 | C32 | 143.1° | 67.0° |
| C36 | C37 | C42 | C43 | 0.3° | 0.0° |
| C37 | C36 | H82 | H83 | 118.0° | 119.9° |
| C9 | C6 | C7 | C8 | 176.0° | 180.0° |
| C9 | C6 | C7 | C11 | 2.9° | 0.1° |
| C6 | C9 | H45 | H46 | 120.0° | 120.0° |
| C6 | C9 | H45 | H47 | 120.0° | 120.0° |
| C6 | C9 | H46 | H47 | 120.0° | 120.1° |
| C6 | C7 | C8 | C3 | 1.0° | 0.0° |
| C6 | C7 | C8 | C11 | 178.9° | 179.9° |
| C6 | C7 | C8 | N10 | 176.9° | 179.7° |
| C6 | C7 | C11 | C12 | 69.9° | 73.1° |
| C6 | C7 | C11 | H48 | 171.3° | 166.9° |
| C7 | C6 | C9 | H45 | 175.6° | 90.0° |
| C7 | C6 | C9 | H46 | 55.5° | 29.9° |
| C7 | C6 | C9 | H47 | 64.4° | 150.0° |
| C3 | C8 | C7 | N10 | 177.9° | 179.8° |
| C3 | C8 | C7 | C11 | 179.9° | 180.0° |
| C8 | C3 | C2 | C27 | 47.1° | 57.2° |
| C3 | C8 | N10 | C20 | 110.2° | 113.1° |
| C8 | C3 | C4 | H44 | 176.2° | 180.0° |
| C2 | C3 | C8 | C7 | 165.6° | 179.7° |
| C2 | C3 | C8 | N10 | 16.6° | 0.0° |
| C3 | C2 | C27 | C28 | 176.9° | 179.9° |
| C3 | C2 | C27 | H73 | 3.0° | 0.1° |
| C2 | C3 | C4 | H44 | 14.7° | 0.3° |
| C3 | C2 | C31 | H75 | 2.3° | 0.0° |
| C7 | C8 | N10 | C20 | 71.9° | 66.7° |
| C8 | C7 | C11 | C12 | 111.3° | 107.0° |
| C8 | C7 | C11 | H48 | 7.5° | 13.0° |
| N10 | C8 | C7 | C11 | 2.0° | 0.2° |
| C8 | N10 | C20 | C21 | 147.8° | 174.2° |
| C8 | N10 | C20 | H59 | 92.0° | 54.1° |
| C8 | N10 | C20 | H60 | 27.6° | 65.8° |
| C8 | N10 | C24 | H65 | 91.9° | 65.8° |
| C8 | N10 | C24 | H66 | 27.7° | 54.1° |
| C36 | N33 | C32 | C29 | 169.5° | 176.0° |
| C36 | N33 | C34 | H79 | 49.9° | 75.1° |
| C36 | N33 | C34 | H78 | 69.4° | 45.4° |
| C36 | N33 | C32 | H76 | 50.2° | 55.7° |
| C36 | N33 | C32 | H77 | 71.1° | 63.8° |
| N33 | C36 | H82 | H83 | 118.1° | 120.1° |
| N33 | C32 | C29 | H76 | 119.3° | 120.3° |
| N33 | C32 | C29 | H77 | 119.4° | 120.3° |
| N33 | C32 | C29 | C28 | 145.0° | 162.5° |
| C32 | N33 | C34 | H79 | 171.9° | 48.3° |
| C32 | N33 | C34 | H78 | 52.6° | 168.7° |
| N33 | C32 | H76 | H77 | 121.9° | 119.5° |
| C32 | N33 | C36 | H82 | 22.5° | 173.0° |
| C32 | N33 | C36 | H83 | 96.3° | 52.9° |
| C7 | C11 | C12 | H48 | 119.1° | 120.0° |
| C7 | C11 | C12 | O13 | 143.4° | 64.3° |
| C7 | C11 | C12 | O14 | 36.1° | 115.7° |
| C43 | C42 | C41 | H86 | 0.7° | 0.2° |
| C42 | C43 | H87 | H89 | 120.0° | 120.0° |
| C42 | C43 | H87 | H88 | 120.0° | 120.0° |
| C42 | C43 | H89 | H88 | 120.0° | 120.0° |
| C2 | C27 | C28 | C29 | 0.0° | 0.1° |
| C2 | C27 | C28 | H73 | 180.0° | 179.9° |
| C2 | C27 | C28 | H74 | 180.0° | 180.0° |
| C27 | C2 | C31 | H75 | 179.7° | 179.9° |
| N10 | C20 | C21 | C22 | 54.0° | 59.2° |
| N10 | C20 | C21 | H59 | 120.2° | 120.0° |
| N10 | C20 | C21 | H60 | 120.2° | 120.0° |
| N10 | C20 | H59 | H60 | 119.3° | 119.9° |
| N10 | C20 | C21 | H61 | 66.7° | 179.1° |
| N10 | C20 | C21 | H62 | 174.8° | 60.8° |
| C20 | N10 | C24 | H65 | 58.7° | 58.3° |
| C20 | N10 | C24 | H66 | 178.3° | 178.2° |
| C11 | C12 | O13 | O14 | 179.5° | 179.9° |
| C11 | C12 | O13 | H49 | 179.6° | 180.0° |
| C25 | C22 | C26 | C21 | 118.3° | 120.2° |
| C25 | C22 | C21 | C20 | 166.7° | 177.6° |
| C25 | C22 | C21 | H61 | 45.9° | 62.4° |
| C25 | C22 | C21 | H62 | 72.5° | 57.6° |
| C25 | C22 | C23 | H63 | 45.9° | 62.5° |
| C25 | C22 | C23 | H64 | 72.9° | 57.7° |
| C22 | C25 | H68 | H69 | 120.0° | 119.9° |
| C22 | C25 | H68 | H67 | 120.0° | 120.0° |
| C22 | C25 | H69 | H67 | 119.9° | 120.0° |
| C25 | C22 | C26 | H70 | 59.0° | 60.8° |
| C25 | C22 | C26 | H71 | 61.0° | 59.2° |
| C25 | C22 | C26 | H72 | 179.0° | 179.2° |
| C26 | C22 | C21 | C20 | 75.7° | 62.2° |
| C26 | C22 | C21 | H61 | 163.5° | 57.7° |
| C26 | C22 | C21 | H62 | 45.0° | 177.8° |
| C26 | C22 | C23 | H63 | 165.3° | 57.7° |
| C26 | C22 | C23 | H64 | 46.5° | 177.8° |
| C26 | C22 | C25 | H68 | 58.3° | 60.1° |
| C26 | C22 | C25 | H69 | 178.3° | 180.0° |
| C26 | C22 | C25 | H67 | 61.7° | 60.0° |
| C22 | C26 | H70 | H71 | 120.0° | 120.0° |
| C22 | C26 | H70 | H72 | 120.0° | 120.0° |
| C22 | C26 | H71 | H72 | 120.0° | 120.0° |
| C22 | C21 | C20 | H61 | 120.7° | 119.9° |
| C22 | C21 | C20 | H62 | 120.8° | 120.0° |
| C22 | C21 | C20 | H59 | 66.2° | 179.2° |
| C22 | C21 | C20 | H60 | 174.2° | 60.8° |
| C22 | C21 | H61 | H62 | 117.6° | 120.1° |
| C21 | C22 | C23 | H63 | 73.4° | 177.6° |
| C21 | C22 | C23 | H64 | 167.8° | 62.3° |
| C21 | C22 | C25 | H68 | 60.6° | 60.1° |
| C21 | C22 | C25 | H69 | 59.3° | 59.8° |
| C21 | C22 | C25 | H67 | 179.3° | 179.8° |
| C21 | C22 | C26 | H70 | 59.3° | 59.4° |
| C21 | C22 | C26 | H71 | 179.3° | 179.4° |
| C21 | C22 | C26 | H72 | 60.7° | 60.6° |
| C32 | C29 | C28 | C27 | 174.9° | 179.7° |
| C32 | C29 | C28 | H74 | 5.1° | 0.2° |
| C29 | C32 | H76 | H77 | 121.9° | 119.4° |
| C29 | C28 | C27 | H74 | 180.0° | 179.9° |
| C29 | C28 | C27 | H73 | 180.0° | 180.0° |
| C28 | C29 | C32 | H76 | 25.6° | 77.2° |
| C28 | C29 | C32 | H77 | 95.7° | 42.2° |
| C21 | C20 | H59 | H60 | 119.3° | 120.0° |
| C20 | C21 | H61 | H62 | 117.6° | 120.1° |
| O13 | C12 | C11 | H48 | 97.5° | 55.7° |
| O14 | C12 | C11 | H48 | 82.9° | 124.4° |
| O14 | C12 | O13 | H49 | 0.0° | 0.0° |
| H53 | C18 | H55 | H54 | 120.0° | 120.1° |
| H51 | C17 | H50 | H52 | 120.0° | 120.0° |
| H57 | C19 | H56 | H58 | 120.0° | 120.0° |
| H59 | C20 | C21 | H61 | 173.1° | 60.9° |
| H59 | C20 | C21 | H62 | 54.6° | 59.2° |
| H60 | C20 | C21 | H61 | 53.5° | 59.1° |
| H60 | C20 | C21 | H62 | 65.0° | 179.2° |
| H63 | C23 | C24 | H65 | 175.4° | 59.1° |
| H63 | C23 | C24 | H66 | 55.7° | 60.8° |
| H64 | C23 | C24 | H65 | 56.6° | 179.2° |
| H64 | C23 | C24 | H66 | 63.1° | 59.3° |
| H79 | C34 | C35 | H81 | 85.9° | 51.0° |
| H79 | C34 | C35 | H80 | 33.2° | 170.7° |
| H78 | C34 | C35 | H81 | 33.4° | 69.5° |
| H78 | C34 | C35 | H80 | 152.4° | 50.1° |
| H73 | C27 | C28 | H74 | 0.0° | 0.1° |
| H45 | C9 | H46 | H47 | 120.0° | 119.9° |
| H68 | C25 | H69 | H67 | 120.0° | 120.1° |
| H70 | C26 | H71 | H72 | 120.0° | 120.0° |
| H84 | C39 | C40 | H85 | 1.4° | 0.1° |
| H85 | C40 | C41 | H86 | 0.6° | 0.0° |
| H87 | C43 | H89 | H88 | 120.0° | 119.9° |
