8Y0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| O2 | C38 | doub | 1.21Å | 1.22Å | |
| C37 | N5 | sing | 1.46Å | 1.45Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C38 | N5 | sing | 1.35Å | 1.33Å | |
| C38 | C40 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| F1 | C40 | sing | 1.40Å | 1.32Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | doub | 1.37Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C40 | F2 | sing | 1.40Å | 1.32Å | |
| C40 | F | sing | 1.40Å | 1.32Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | N1 | sing | 1.46Å | 1.46Å | |
| C25 | C24 | doub | 1.37Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | doub | 1.37Å | 1.50Å | Aromatic |
| C21 | N4 | sing | 1.46Å | 1.46Å | |
| C33 | C32 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C24 | C19 | sing | 1.42Å | 1.39Å | Aromatic |
| C19 | C17 | sing | 1.47Å | 1.49Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N1 | C17 | sing | 1.40Å | 1.33Å | Aromatic |
| N1 | N3 | sing | 1.28Å | 1.40Å | Aromatic |
| C7 | C | sing | 1.53Å | 1.52Å | |
| C17 | C18 | doub | 1.36Å | 1.48Å | Aromatic |
| C32 | N4 | sing | 1.35Å | 1.33Å | |
| C32 | O1 | doub | 1.21Å | 1.22Å | |
| N4 | C22 | sing | 1.40Å | 1.40Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| N3 | N2 | doub | 1.28Å | 1.41Å | Aromatic |
| C18 | N2 | sing | 1.36Å | 1.35Å | Aromatic |
| C18 | C23 | sing | 1.49Å | 1.48Å | |
| C22 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.47Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.34Å | 1.32Å | |
| C13 | C14 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | sing | 1.48Å | 1.47Å | |
| C14 | O | doub | 1.22Å | 1.22Å | |
| C15 | N | doub | 1.28Å | 1.26Å | |
| N | C16 | sing | 1.47Å | 1.45Å | |
| C16 | C39 | sing | 1.51Å | 1.51Å | |
| C39 | O4 | doub | 1.21Å | 1.25Å | |
| C39 | O3 | sing | 1.34Å | 1.25Å | |
| N5 | H1 | sing | 0.97Å | 1.00Å | |
| C37 | H2 | sing | 1.09Å | 1.10Å | |
| C37 | H3 | sing | 1.09Å | 1.10Å | |
| C36 | H4 | sing | 1.09Å | 1.10Å | |
| C36 | H5 | sing | 1.09Å | 1.10Å | |
| C35 | H6 | sing | 1.09Å | 1.10Å | |
| C35 | H7 | sing | 1.09Å | 1.10Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C34 | H9 | sing | 1.09Å | 1.10Å | |
| C33 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å | |
| C | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| C10 | H42 | sing | 1.09Å | 1.10Å | |
| C10 | H43 | sing | 1.09Å | 1.10Å | |
| C11 | H44 | sing | 1.09Å | 1.10Å | |
| C11 | H45 | sing | 1.09Å | 1.10Å | |
| C12 | H46 | sing | 1.08Å | 1.08Å | |
| C13 | H47 | sing | 1.08Å | 1.08Å | |
| C15 | H48 | sing | 1.08Å | 1.08Å | |
| C16 | H49 | sing | 1.09Å | 1.10Å | |
| C16 | H50 | sing | 1.09Å | 1.10Å | |
| O3 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 111.0° | 109.5° |
| C36 | C37 | N5 | 112.0° | 109.5° |
| C36 | C37 | H2 | 108.9° | 109.4° |
| C36 | C37 | H3 | 108.8° | 109.4° |
| C37 | C36 | H4 | 109.1° | 109.5° |
| C37 | C36 | H5 | 109.1° | 109.5° |
| C36 | C35 | C34 | 110.9° | 109.5° |
| C35 | C36 | H4 | 109.1° | 109.4° |
| C35 | C36 | H5 | 109.1° | 109.5° |
| C36 | C35 | H6 | 109.1° | 109.5° |
| C36 | C35 | H7 | 109.1° | 109.5° |
| O2 | C38 | N5 | 123.0° | 120.0° |
| O2 | C38 | C40 | 120.5° | 120.0° |
| C37 | N5 | C38 | 121.5° | 120.0° |
| C37 | N5 | H1 | 119.3° | 120.0° |
| N5 | C37 | H2 | 108.9° | 109.5° |
| N5 | C37 | H3 | 108.8° | 109.5° |
| C35 | C34 | C33 | 111.0° | 109.5° |
| C34 | C35 | H6 | 109.1° | 109.5° |
| C34 | C35 | H7 | 109.1° | 109.5° |
| C35 | C34 | H8 | 109.1° | 109.5° |
| C35 | C34 | H9 | 109.1° | 109.5° |
| N5 | C38 | C40 | 116.5° | 120.0° |
| C38 | N5 | H1 | 119.3° | 120.0° |
| C38 | C40 | F1 | 109.5° | 109.4° |
| C38 | C40 | F2 | 109.4° | 109.5° |
| C38 | C40 | F | 109.5° | 109.4° |
| C3 | C4 | C5 | 111.0° | 109.5° |
| C4 | C3 | C2 | 111.0° | 109.5° |
| C3 | C4 | H26 | 109.1° | 109.5° |
| C3 | C4 | H27 | 109.1° | 109.5° |
| C4 | C3 | H28 | 109.1° | 109.5° |
| C4 | C3 | H29 | 109.1° | 109.5° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C4 | C5 | H24 | 109.1° | 109.5° |
| C4 | C5 | H25 | 109.1° | 109.5° |
| C5 | C4 | H26 | 109.1° | 109.5° |
| C5 | C4 | H27 | 109.1° | 109.5° |
| C3 | C2 | C1 | 111.0° | 109.5° |
| C2 | C3 | H28 | 109.1° | 109.5° |
| C2 | C3 | H29 | 109.1° | 109.5° |
| C3 | C2 | H30 | 109.1° | 109.5° |
| C3 | C2 | H31 | 109.1° | 109.5° |
| F1 | C40 | F2 | 109.5° | 109.5° |
| F1 | C40 | F | 109.5° | 109.4° |
| C34 | C33 | C32 | 109.5° | 109.5° |
| C33 | C34 | H8 | 109.1° | 109.4° |
| C33 | C34 | H9 | 109.1° | 109.5° |
| C34 | C33 | H10 | 109.5° | 109.5° |
| C34 | C33 | H11 | 109.5° | 109.5° |
| C27 | C26 | C25 | 120.9° | 119.0° |
| C26 | C27 | C20 | 121.0° | 122.0° |
| C26 | C27 | H14 | 119.5° | 119.0° |
| C27 | C26 | H15 | 119.6° | 120.5° |
| C26 | C25 | C24 | 120.8° | 119.6° |
| C25 | C26 | H15 | 119.6° | 120.5° |
| C26 | C25 | H16 | 119.6° | 120.2° |
| C27 | C20 | C21 | 116.9° | 112.8° |
| C27 | C20 | C19 | 118.0° | 119.7° |
| C20 | C27 | H14 | 119.5° | 119.0° |
| F2 | C40 | F | 109.5° | 109.5° |
| C5 | C6 | N1 | 109.5° | 109.5° |
| C5 | C6 | H22 | 109.4° | 109.5° |
| C5 | C6 | H23 | 109.4° | 109.5° |
| C6 | C5 | H24 | 109.1° | 109.5° |
| C6 | C5 | H25 | 109.1° | 109.5° |
| C6 | N1 | C17 | 133.3° | 125.5° |
| C6 | N1 | N3 | 115.4° | 125.5° |
| N1 | C6 | H22 | 109.5° | 109.5° |
| N1 | C6 | H23 | 109.5° | 109.5° |
| C25 | C24 | C19 | 120.8° | 122.1° |
| C24 | C25 | H16 | 119.6° | 120.2° |
| C25 | C24 | H17 | 119.6° | 119.0° |
| C21 | C20 | C19 | 125.1° | 127.5° |
| C20 | C21 | N4 | 116.3° | 112.4° |
| C20 | C21 | H12 | 107.7° | 108.9° |
| C20 | C21 | H13 | 107.7° | 108.9° |
| C20 | C19 | C24 | 118.6° | 117.6° |
| C20 | C19 | C17 | 123.7° | 131.1° |
| C21 | N4 | C32 | 123.2° | 122.0° |
| C21 | N4 | C22 | 120.5° | 116.1° |
| N4 | C21 | H12 | 107.7° | 108.8° |
| N4 | C21 | H13 | 107.7° | 108.9° |
| C33 | C32 | N4 | 116.5° | 120.0° |
| C33 | C32 | O1 | 120.5° | 120.0° |
| C32 | C33 | H10 | 109.5° | 109.5° |
| C32 | C33 | H11 | 109.5° | 109.5° |
| C2 | C1 | C | 111.0° | 109.5° |
| C1 | C2 | H30 | 109.1° | 109.5° |
| C1 | C2 | H31 | 109.1° | 109.5° |
| C2 | C1 | H32 | 109.1° | 109.5° |
| C2 | C1 | H33 | 109.1° | 109.5° |
| C1 | C | C7 | 111.0° | 109.5° |
| C | C1 | H32 | 109.1° | 109.5° |
| C | C1 | H33 | 109.1° | 109.5° |
| C1 | C | H34 | 109.1° | 109.5° |
| C1 | C | H35 | 109.1° | 109.5° |
| C24 | C19 | C17 | 117.7° | 111.2° |
| C19 | C24 | H17 | 119.6° | 118.9° |
| C19 | C17 | N1 | 128.8° | 117.4° |
| C19 | C17 | C18 | 125.7° | 138.6° |
| C7 | C8 | C9 | 113.3° | 109.5° |
| C8 | C7 | C | 111.0° | 109.5° |
| C8 | C7 | H36 | 109.1° | 109.5° |
| C8 | C7 | H37 | 109.1° | 109.5° |
| C7 | C8 | H38 | 108.5° | 109.5° |
| C7 | C8 | H39 | 108.5° | 109.5° |
| C8 | C9 | C10 | 114.5° | 109.5° |
| C9 | C8 | H38 | 108.5° | 109.4° |
| C9 | C8 | H39 | 108.5° | 109.4° |
| C8 | C9 | H40 | 108.2° | 109.4° |
| C8 | C9 | H41 | 108.2° | 109.5° |
| C17 | N1 | N3 | 111.2° | 109.0° |
| N1 | C17 | C18 | 105.4° | 104.1° |
| N1 | N3 | N2 | 107.1° | 110.6° |
| C7 | C | H34 | 109.1° | 109.4° |
| C7 | C | H35 | 109.1° | 109.4° |
| C | C7 | H36 | 109.1° | 109.5° |
| C | C7 | H37 | 109.1° | 109.5° |
| C17 | C18 | N2 | 108.3° | 107.4° |
| C17 | C18 | C23 | 122.7° | 131.8° |
| N4 | C32 | O1 | 123.0° | 120.0° |
| C32 | N4 | C22 | 116.3° | 121.9° |
| N4 | C22 | C28 | 123.0° | 119.9° |
| N4 | C22 | C23 | 117.6° | 120.1° |
| C9 | C10 | C11 | 108.2° | 109.5° |
| C10 | C9 | H40 | 108.2° | 109.5° |
| C10 | C9 | H41 | 108.2° | 109.5° |
| C9 | C10 | H42 | 109.8° | 109.5° |
| C9 | C10 | H43 | 109.8° | 109.5° |
| N3 | N2 | C18 | 108.0° | 108.9° |
| N2 | C18 | C23 | 128.9° | 120.9° |
| C18 | C23 | C22 | 116.0° | 118.6° |
| C18 | C23 | C31 | 123.9° | 120.9° |
| C28 | C22 | C23 | 119.4° | 119.9° |
| C22 | C28 | C29 | 119.0° | 119.5° |
| C22 | C28 | H18 | 120.5° | 120.2° |
| C22 | C23 | C31 | 120.0° | 120.4° |
| C10 | C11 | C12 | 108.9° | 109.4° |
| C11 | C10 | H42 | 109.8° | 109.5° |
| C11 | C10 | H43 | 109.8° | 109.5° |
| C10 | C11 | H44 | 109.6° | 109.5° |
| C10 | C11 | H45 | 109.6° | 109.5° |
| C28 | C29 | C30 | 121.5° | 120.6° |
| C29 | C28 | H18 | 120.5° | 120.3° |
| C28 | C29 | H19 | 119.2° | 119.7° |
| C23 | C31 | C30 | 118.7° | 119.3° |
| C23 | C31 | H21 | 120.6° | 120.4° |
| C11 | C12 | C13 | 125.5° | 120.0° |
| C12 | C11 | H44 | 109.6° | 109.5° |
| C12 | C11 | H45 | 109.6° | 109.5° |
| C11 | C12 | H46 | 117.2° | 120.0° |
| C29 | C30 | C31 | 121.4° | 120.3° |
| C30 | C29 | H19 | 119.3° | 119.7° |
| C29 | C30 | H20 | 119.3° | 119.9° |
| C31 | C30 | H20 | 119.3° | 119.9° |
| C30 | C31 | H21 | 120.7° | 120.4° |
| C12 | C13 | C14 | 118.8° | 120.0° |
| C13 | C12 | H46 | 117.3° | 120.0° |
| C12 | C13 | H47 | 120.6° | 119.9° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C13 | C14 | O | 120.2° | 120.0° |
| C14 | C13 | H47 | 120.6° | 120.1° |
| C15 | C14 | O | 120.1° | 120.0° |
| C14 | C15 | N | 120.0° | 120.0° |
| C14 | C15 | H48 | 120.0° | 120.0° |
| C15 | N | C16 | 120.0° | 120.0° |
| N | C15 | H48 | 120.0° | 120.0° |
| N | C16 | C39 | 109.5° | 109.5° |
| N | C16 | H49 | 109.5° | 109.4° |
| N | C16 | H50 | 109.5° | 109.5° |
| C16 | C39 | O4 | 118.5° | 120.0° |
| C16 | C39 | O3 | 118.5° | 120.0° |
| C39 | C16 | H49 | 109.5° | 109.5° |
| C39 | C16 | H50 | 109.5° | 109.5° |
| O4 | C39 | O3 | 123.0° | 120.0° |
| C39 | O3 | H51 | 109.5° | 117.0° |
| H2 | C37 | H3 | 109.5° | 109.5° |
| H4 | C36 | H5 | 109.5° | 109.5° |
| H6 | C35 | H7 | 109.5° | 109.5° |
| H8 | C34 | H9 | 109.5° | 109.5° |
| H10 | C33 | H11 | 109.4° | 109.5° |
| H12 | C21 | H13 | 109.5° | 108.8° |
| H22 | C6 | H23 | 109.5° | 109.5° |
| H24 | C5 | H25 | 109.5° | 109.5° |
| H26 | C4 | H27 | 109.5° | 109.5° |
| H28 | C3 | H29 | 109.5° | 109.5° |
| H30 | C2 | H31 | 109.5° | 109.5° |
| H32 | C1 | H33 | 109.4° | 109.5° |
| H34 | C | H35 | 109.5° | 109.5° |
| H36 | C7 | H37 | 109.5° | 109.5° |
| H38 | C8 | H39 | 109.5° | 109.4° |
| H40 | C9 | H41 | 109.4° | 109.5° |
| H42 | C10 | H43 | 109.5° | 109.5° |
| H44 | C11 | H45 | 109.5° | 109.5° |
| H49 | C16 | H50 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H4 | 120.2° | 120.0° |
| C37 | C36 | C35 | H5 | 120.2° | 120.0° |
| C36 | C37 | N5 | H2 | 120.4° | 120.0° |
| C36 | C37 | N5 | H3 | 120.4° | 120.0° |
| C37 | C36 | C35 | C34 | 122.9° | 180.0° |
| C36 | C37 | N5 | C38 | 104.9° | 180.0° |
| C36 | C37 | N5 | H1 | 75.1° | 0.0° |
| C36 | C37 | H2 | H3 | 118.9° | 119.9° |
| C37 | C36 | H4 | H5 | 119.3° | 120.0° |
| C37 | C36 | C35 | H6 | 116.9° | 60.0° |
| C37 | C36 | C35 | H7 | 2.7° | 60.0° |
| C35 | C36 | C37 | N5 | 92.8° | 180.0° |
| C36 | C35 | C34 | H6 | 120.2° | 120.0° |
| C36 | C35 | C34 | H7 | 120.2° | 120.0° |
| C36 | C35 | C34 | C33 | 170.0° | 180.0° |
| C35 | C36 | C37 | H2 | 27.6° | 60.0° |
| C35 | C36 | C37 | H3 | 146.8° | 60.0° |
| C35 | C36 | H4 | H5 | 119.3° | 120.0° |
| C36 | C35 | H6 | H7 | 119.4° | 120.0° |
| C36 | C35 | C34 | H8 | 49.8° | 60.0° |
| C36 | C35 | C34 | H9 | 69.7° | 60.0° |
| O2 | C38 | N5 | C37 | 27.7° | 0.1° |
| O2 | C38 | N5 | C40 | 180.0° | 179.9° |
| O2 | C38 | C40 | F1 | 6.8° | 120.1° |
| O2 | C38 | C40 | F2 | 126.8° | 0.0° |
| O2 | C38 | C40 | F | 113.2° | 120.0° |
| O2 | C38 | N5 | H1 | 152.3° | 180.0° |
| C37 | N5 | C38 | H1 | 180.0° | 179.9° |
| C37 | N5 | C38 | C40 | 152.3° | 180.0° |
| N5 | C37 | H2 | H3 | 118.8° | 120.1° |
| N5 | C37 | C36 | H4 | 27.4° | 60.0° |
| N5 | C37 | C36 | H5 | 147.0° | 60.0° |
| C35 | C34 | C33 | H8 | 120.2° | 120.0° |
| C35 | C34 | C33 | H9 | 120.2° | 120.0° |
| C35 | C34 | C33 | C32 | 169.0° | 180.0° |
| C34 | C35 | C36 | H4 | 2.7° | 60.0° |
| C34 | C35 | C36 | H5 | 116.9° | 60.0° |
| C34 | C35 | H6 | H7 | 119.3° | 120.1° |
| C35 | C34 | H8 | H9 | 119.3° | 120.1° |
| C35 | C34 | C33 | H10 | 71.0° | 60.0° |
| C35 | C34 | C33 | H11 | 49.0° | 60.0° |
| N5 | C38 | C40 | F1 | 173.2° | 60.0° |
| N5 | C38 | C40 | F2 | 53.2° | 179.9° |
| N5 | C38 | C40 | F | 66.8° | 59.9° |
| C38 | N5 | C37 | H2 | 134.7° | 60.0° |
| C38 | N5 | C37 | H3 | 15.5° | 60.0° |
| C38 | C40 | F1 | F2 | 120.0° | 120.0° |
| C38 | C40 | F1 | F | 120.0° | 119.9° |
| C38 | C40 | F2 | F | 120.0° | 120.0° |
| C40 | C38 | N5 | H1 | 27.7° | 0.1° |
| C3 | C4 | C5 | H26 | 120.2° | 120.0° |
| C3 | C4 | C5 | H27 | 120.2° | 120.0° |
| C4 | C3 | C2 | H28 | 120.2° | 120.0° |
| C4 | C3 | C2 | H29 | 120.2° | 120.0° |
| C3 | C4 | C5 | C6 | 53.0° | 180.0° |
| C4 | C3 | C2 | C1 | 53.0° | 180.0° |
| C3 | C4 | C5 | H24 | 67.2° | 60.0° |
| C3 | C4 | C5 | H25 | 173.2° | 60.0° |
| C3 | C4 | H26 | H27 | 119.3° | 120.0° |
| C4 | C3 | H28 | H29 | 119.3° | 120.0° |
| C4 | C3 | C2 | H30 | 67.3° | 60.0° |
| C4 | C3 | C2 | H31 | 173.2° | 60.0° |
| C5 | C4 | C3 | C2 | 75.3° | 180.0° |
| C4 | C5 | C6 | H24 | 120.2° | 120.0° |
| C4 | C5 | C6 | H25 | 120.2° | 120.0° |
| C4 | C5 | C6 | N1 | 165.7° | 175.1° |
| C4 | C5 | C6 | H22 | 74.2° | 55.1° |
| C4 | C5 | C6 | H23 | 45.7° | 64.9° |
| C4 | C5 | H24 | H25 | 119.3° | 120.0° |
| C5 | C4 | H26 | H27 | 119.3° | 120.0° |
| C5 | C4 | C3 | H28 | 44.9° | 60.0° |
| C5 | C4 | C3 | H29 | 164.5° | 60.0° |
| C3 | C2 | C1 | H30 | 120.3° | 120.1° |
| C3 | C2 | C1 | H31 | 120.2° | 120.0° |
| C3 | C2 | C1 | C | 175.8° | 180.0° |
| C2 | C3 | C4 | H26 | 44.9° | 60.0° |
| C2 | C3 | C4 | H27 | 164.4° | 60.0° |
| C2 | C3 | H28 | H29 | 119.3° | 120.0° |
| C3 | C2 | H30 | H31 | 119.3° | 120.0° |
| C3 | C2 | C1 | H32 | 55.5° | 60.0° |
| C3 | C2 | C1 | H33 | 64.0° | 60.0° |
| F1 | C40 | F2 | F | 120.0° | 120.0° |
| C34 | C33 | C32 | H10 | 120.0° | 120.0° |
| C34 | C33 | C32 | H11 | 120.0° | 120.0° |
| C34 | C33 | C32 | N4 | 110.9° | 180.0° |
| C34 | C33 | C32 | O1 | 69.1° | 0.0° |
| C33 | C34 | C35 | H6 | 69.8° | 60.0° |
| C33 | C34 | C35 | H7 | 49.8° | 60.0° |
| C33 | C34 | H8 | H9 | 119.3° | 120.0° |
| C34 | C33 | H10 | H11 | 120.0° | 120.0° |
| C27 | C26 | C25 | H15 | 180.0° | 179.9° |
| C26 | C27 | C20 | H14 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.9° |
| C26 | C27 | C20 | C21 | 179.6° | 178.4° |
| C26 | C27 | C20 | C19 | 0.9° | 1.2° |
| C27 | C26 | C25 | H16 | 180.0° | 179.2° |
| C25 | C26 | C27 | C20 | 0.3° | 0.3° |
| C26 | C25 | C24 | H16 | 180.0° | 179.9° |
| C26 | C25 | C24 | C19 | 0.3° | 0.1° |
| C25 | C26 | C27 | H14 | 179.7° | 179.6° |
| C26 | C25 | C24 | H17 | 179.7° | 179.8° |
| C27 | C20 | C21 | C19 | 178.6° | 179.6° |
| C27 | C20 | C21 | N4 | 144.0° | 157.7° |
| C27 | C20 | C19 | C24 | 1.2° | 2.1° |
| C27 | C20 | C19 | C17 | 179.8° | 175.4° |
| C27 | C20 | C21 | H12 | 23.0° | 37.0° |
| C27 | C20 | C21 | H13 | 95.0° | 81.6° |
| C20 | C27 | C26 | H15 | 179.7° | 179.8° |
| C5 | C6 | N1 | H22 | 120.0° | 120.0° |
| C5 | C6 | N1 | H23 | 120.0° | 120.0° |
| C5 | C6 | N1 | C17 | 72.8° | 146.0° |
| C5 | C6 | N1 | N3 | 108.0° | 34.0° |
| C5 | C6 | H22 | H23 | 120.0° | 120.0° |
| C6 | C5 | H24 | H25 | 119.3° | 120.0° |
| C6 | C5 | C4 | H26 | 173.2° | 60.0° |
| C6 | C5 | C4 | H27 | 67.2° | 60.0° |
| C6 | N1 | C17 | C19 | 1.7° | 1.7° |
| C6 | N1 | C17 | N3 | 179.3° | 179.9° |
| C6 | N1 | C17 | C18 | 179.5° | 178.5° |
| C6 | N1 | N3 | N2 | 180.0° | 179.2° |
| N1 | C6 | H22 | H23 | 120.0° | 120.0° |
| N1 | C6 | C5 | H24 | 45.5° | 64.9° |
| N1 | C6 | C5 | H25 | 74.1° | 55.1° |
| C25 | C24 | C19 | C20 | 0.9° | 1.6° |
| C25 | C24 | C19 | H17 | 180.0° | 179.9° |
| C25 | C24 | C19 | C17 | 179.6° | 176.4° |
| C24 | C25 | C26 | H15 | 180.0° | 179.2° |
| C20 | C21 | N4 | H12 | 121.0° | 120.7° |
| C20 | C21 | N4 | H13 | 121.0° | 120.8° |
| C21 | C20 | C19 | C24 | 179.8° | 177.5° |
| C21 | C20 | C19 | C17 | 1.7° | 5.0° |
| C20 | C21 | N4 | C32 | 132.2° | 77.2° |
| C20 | C21 | N4 | C22 | 47.9° | 103.0° |
| C20 | C21 | H12 | H13 | 116.9° | 118.6° |
| C21 | C20 | C27 | H14 | 0.4° | 1.6° |
| C19 | C20 | C21 | N4 | 37.4° | 22.7° |
| C20 | C19 | C24 | C17 | 178.6° | 178.0° |
| C20 | C19 | C17 | N1 | 119.3° | 149.4° |
| C20 | C19 | C17 | C18 | 63.4° | 30.9° |
| C19 | C20 | C21 | H12 | 158.4° | 143.4° |
| C19 | C20 | C21 | H13 | 83.6° | 98.1° |
| C19 | C20 | C27 | H14 | 179.1° | 178.8° |
| C20 | C19 | C24 | H17 | 179.1° | 178.3° |
| C21 | N4 | C32 | C33 | 33.4° | 179.7° |
| C21 | N4 | C32 | C22 | 180.0° | 179.8° |
| C21 | N4 | C32 | O1 | 146.6° | 0.3° |
| C21 | N4 | C22 | C28 | 80.8° | 83.3° |
| C21 | N4 | C22 | C23 | 100.7° | 96.3° |
| N4 | C21 | H12 | H13 | 116.9° | 118.5° |
| C33 | C32 | N4 | O1 | 180.0° | 180.0° |
| C33 | C32 | N4 | C22 | 146.5° | 0.0° |
| C32 | C33 | C34 | H8 | 48.7° | 60.0° |
| C32 | C33 | C34 | H9 | 70.8° | 60.0° |
| C32 | C33 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | C | H32 | 120.2° | 120.0° |
| C2 | C1 | C | H33 | 120.2° | 120.0° |
| C2 | C1 | C | C7 | 136.0° | 180.0° |
| C1 | C2 | C3 | H28 | 173.2° | 60.0° |
| C1 | C2 | C3 | H29 | 67.3° | 60.0° |
| C1 | C2 | H30 | H31 | 119.3° | 120.0° |
| C2 | C1 | H32 | H33 | 119.3° | 120.0° |
| C2 | C1 | C | H34 | 103.8° | 60.0° |
| C2 | C1 | C | H35 | 15.7° | 60.0° |
| C1 | C | C7 | C8 | 66.7° | 180.0° |
| C1 | C | C7 | H34 | 120.2° | 120.0° |
| C1 | C | C7 | H35 | 120.2° | 120.0° |
| C | C1 | C2 | H30 | 64.0° | 59.9° |
| C | C1 | C2 | H31 | 55.6° | 60.0° |
| C | C1 | H32 | H33 | 119.3° | 120.0° |
| C1 | C | H34 | H35 | 119.3° | 120.1° |
| C1 | C | C7 | H36 | 53.5° | 60.0° |
| C1 | C | C7 | H37 | 173.1° | 60.0° |
| C24 | C19 | C17 | N1 | 62.2° | 28.2° |
| C24 | C19 | C17 | C18 | 115.2° | 151.5° |
| C19 | C24 | C25 | H16 | 179.6° | 179.8° |
| C19 | C17 | N1 | C18 | 177.8° | 179.8° |
| C19 | C17 | N1 | N3 | 179.0° | 178.4° |
| C19 | C17 | C18 | N2 | 179.4° | 178.2° |
| C19 | C17 | C18 | C23 | 2.7° | 2.9° |
| C17 | C19 | C24 | H17 | 0.4° | 3.7° |
| C7 | C8 | C9 | H38 | 120.6° | 120.0° |
| C7 | C8 | C9 | H39 | 120.5° | 120.1° |
| C8 | C7 | C | H36 | 120.2° | 120.0° |
| C8 | C7 | C | H37 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 60.6° | 180.0° |
| C8 | C7 | C | H34 | 53.5° | 60.0° |
| C8 | C7 | C | H35 | 173.1° | 60.0° |
| C8 | C7 | H36 | H37 | 119.3° | 120.0° |
| C7 | C8 | H38 | H39 | 118.2° | 120.1° |
| C7 | C8 | C9 | H40 | 60.2° | 60.0° |
| C7 | C8 | C9 | H41 | 178.6° | 60.0° |
| C9 | C8 | C7 | C | 115.1° | 180.0° |
| C8 | C9 | C10 | H40 | 120.8° | 119.9° |
| C8 | C9 | C10 | H41 | 120.8° | 120.0° |
| C8 | C9 | C10 | C11 | 131.9° | 180.0° |
| C9 | C8 | C7 | H36 | 124.7° | 60.0° |
| C9 | C8 | C7 | H37 | 5.2° | 60.0° |
| C9 | C8 | H38 | H39 | 118.3° | 119.9° |
| C8 | C9 | H40 | H41 | 117.7° | 120.0° |
| C8 | C9 | C10 | H42 | 108.3° | 60.0° |
| C8 | C9 | C10 | H43 | 12.1° | 60.0° |
| C17 | N1 | N3 | N2 | 0.6° | 0.7° |
| N1 | C17 | C18 | N2 | 1.5° | 1.5° |
| N1 | C17 | C18 | C23 | 179.5° | 177.3° |
| C17 | N1 | C6 | H22 | 47.2° | 25.9° |
| C17 | N1 | C6 | H23 | 167.3° | 94.1° |
| N3 | N1 | C17 | C18 | 1.2° | 1.4° |
| N1 | N3 | N2 | C18 | 0.5° | 0.3° |
| N3 | N1 | C6 | H22 | 132.0° | 154.0° |
| N3 | N1 | C6 | H23 | 12.0° | 86.0° |
| C7 | C | C1 | H32 | 15.7° | 60.0° |
| C7 | C | C1 | H33 | 103.8° | 60.0° |
| C7 | C | H34 | H35 | 119.3° | 119.9° |
| C | C7 | H36 | H37 | 119.3° | 120.0° |
| C | C7 | C8 | H38 | 124.4° | 60.0° |
| C | C7 | C8 | H39 | 5.5° | 60.0° |
| C17 | C18 | N2 | N3 | 1.2° | 1.2° |
| C17 | C18 | N2 | C23 | 177.8° | 179.0° |
| C17 | C18 | C23 | C22 | 62.5° | 44.5° |
| C17 | C18 | C23 | C31 | 116.1° | 137.9° |
| C32 | N4 | C22 | C28 | 99.1° | 96.4° |
| C32 | N4 | C22 | C23 | 79.3° | 84.0° |
| N4 | C32 | C33 | H10 | 9.1° | 60.0° |
| N4 | C32 | C33 | H11 | 129.1° | 60.0° |
| C32 | N4 | C21 | H12 | 106.8° | 43.5° |
| C32 | N4 | C21 | H13 | 11.2° | 162.0° |
| O1 | C32 | N4 | C22 | 33.5° | 180.0° |
| O1 | C32 | C33 | H10 | 170.9° | 120.0° |
| O1 | C32 | C33 | H11 | 50.9° | 120.0° |
| N4 | C22 | C23 | C18 | 1.6° | 5.6° |
| N4 | C22 | C28 | C23 | 178.5° | 179.6° |
| N4 | C22 | C28 | C29 | 179.4° | 178.0° |
| N4 | C22 | C23 | C31 | 179.8° | 176.8° |
| C22 | N4 | C21 | H12 | 73.1° | 136.3° |
| C22 | N4 | C21 | H13 | 168.9° | 17.8° |
| N4 | C22 | C28 | H18 | 0.6° | 2.1° |
| C9 | C10 | C11 | H42 | 119.8° | 120.0° |
| C9 | C10 | C11 | H43 | 119.8° | 120.0° |
| C9 | C10 | C11 | C12 | 161.8° | 180.0° |
| C10 | C9 | C8 | H38 | 178.8° | 60.0° |
| C10 | C9 | C8 | H39 | 59.9° | 59.9° |
| C10 | C9 | H40 | H41 | 117.7° | 120.0° |
| C9 | C10 | H42 | H43 | 120.6° | 120.0° |
| C9 | C10 | C11 | H44 | 78.3° | 60.0° |
| C9 | C10 | C11 | H45 | 41.9° | 60.0° |
| N3 | N2 | C18 | C23 | 179.0° | 177.8° |
| N2 | C18 | C23 | C22 | 115.0° | 134.2° |
| N2 | C18 | C23 | C31 | 66.4° | 43.4° |
| C18 | C23 | C22 | C28 | 179.9° | 174.8° |
| C18 | C23 | C22 | C31 | 178.6° | 177.6° |
| C18 | C23 | C31 | C30 | 179.5° | 175.5° |
| C18 | C23 | C31 | H21 | 0.5° | 4.5° |
| C22 | C28 | C29 | H18 | 180.0° | 179.9° |
| C28 | C22 | C23 | C31 | 1.3° | 2.8° |
| C22 | C28 | C29 | C30 | 0.3° | 0.3° |
| C22 | C28 | C29 | H19 | 179.7° | 179.8° |
| C23 | C22 | C28 | C29 | 0.9° | 1.6° |
| C22 | C23 | C31 | C30 | 1.0° | 2.0° |
| C23 | C22 | C28 | H18 | 179.1° | 178.3° |
| C22 | C23 | C31 | H21 | 179.0° | 177.9° |
| C10 | C11 | C12 | H44 | 119.9° | 119.9° |
| C10 | C11 | C12 | H45 | 119.9° | 120.0° |
| C10 | C11 | C12 | C13 | 172.3° | 125.0° |
| C11 | C10 | C9 | H40 | 11.2° | 60.0° |
| C11 | C10 | C9 | H41 | 107.3° | 60.0° |
| C11 | C10 | H42 | H43 | 120.6° | 120.0° |
| C10 | C11 | H44 | H45 | 120.3° | 120.0° |
| C10 | C11 | C12 | H46 | 7.7° | 55.1° |
| C28 | C29 | C30 | H19 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.0° | 1.0° |
| C28 | C29 | C30 | H20 | 179.9° | 179.0° |
| C23 | C31 | C30 | C29 | 0.3° | 0.1° |
| C23 | C31 | C30 | H21 | 180.0° | 179.9° |
| C23 | C31 | C30 | H20 | 179.7° | 179.9° |
| C11 | C12 | C13 | H46 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.3° | 179.9° |
| C12 | C11 | C10 | H42 | 42.0° | 60.0° |
| C12 | C11 | C10 | H43 | 78.4° | 60.0° |
| C12 | C11 | H44 | H45 | 120.3° | 120.1° |
| C11 | C12 | C13 | H47 | 0.7° | 0.0° |
| C29 | C30 | C31 | H20 | 180.0° | 180.0° |
| C30 | C29 | C28 | H18 | 179.7° | 179.8° |
| C29 | C30 | C31 | H21 | 179.7° | 179.9° |
| C31 | C30 | C29 | H19 | 180.0° | 179.0° |
| C12 | C13 | C14 | H47 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 5.7° | 180.0° |
| C12 | C13 | C14 | O | 174.3° | 0.0° |
| C13 | C12 | C11 | H44 | 67.8° | 5.1° |
| C13 | C12 | C11 | H45 | 52.4° | 115.0° |
| C13 | C14 | C15 | O | 180.0° | 180.0° |
| C13 | C14 | C15 | N | 177.0° | 180.0° |
| C14 | C13 | C12 | H46 | 0.7° | 0.0° |
| C13 | C14 | C15 | H48 | 2.9° | 0.0° |
| C14 | C15 | N | H48 | 180.0° | 180.0° |
| C14 | C15 | N | C16 | 180.0° | 180.0° |
| C15 | C14 | C13 | H47 | 174.3° | 0.0° |
| O | C14 | C15 | N | 2.9° | 0.0° |
| O | C14 | C13 | H47 | 5.6° | 180.0° |
| O | C14 | C15 | H48 | 177.1° | 180.0° |
| C15 | N | C16 | C39 | 174.3° | 115.0° |
| C15 | N | C16 | H49 | 54.3° | 125.0° |
| C15 | N | C16 | H50 | 65.7° | 5.1° |
| N | C16 | C39 | H49 | 120.0° | 119.9° |
| N | C16 | C39 | H50 | 120.0° | 120.0° |
| N | C16 | C39 | O4 | 178.2° | 0.0° |
| N | C16 | C39 | O3 | 1.9° | 180.0° |
| C16 | N | C15 | H48 | 0.0° | 0.1° |
| N | C16 | H49 | H50 | 120.0° | 119.9° |
| C16 | C39 | O4 | O3 | 179.9° | 180.0° |
| C39 | C16 | H49 | H50 | 120.0° | 120.1° |
| C16 | C39 | O3 | H51 | 179.9° | 180.0° |
| O4 | C39 | C16 | H49 | 58.2° | 120.0° |
| O4 | C39 | C16 | H50 | 61.8° | 120.0° |
| O4 | C39 | O3 | H51 | 0.0° | 0.0° |
| O3 | C39 | C16 | H49 | 121.9° | 60.0° |
| O3 | C39 | C16 | H50 | 118.1° | 60.0° |
| H1 | N5 | C37 | H2 | 45.3° | 119.9° |
| H1 | N5 | C37 | H3 | 164.5° | 120.0° |
| H2 | C37 | C36 | H4 | 147.8° | 180.0° |
| H2 | C37 | C36 | H5 | 92.6° | 60.0° |
| H3 | C37 | C36 | H4 | 92.9° | 60.0° |
| H3 | C37 | C36 | H5 | 26.6° | 180.0° |
| H4 | C36 | C35 | H6 | 122.9° | 180.0° |
| H4 | C36 | C35 | H7 | 117.5° | 60.0° |
| H5 | C36 | C35 | H6 | 3.4° | 60.0° |
| H5 | C36 | C35 | H7 | 122.9° | 180.0° |
| H6 | C35 | C34 | H8 | 170.0° | 180.0° |
| H6 | C35 | C34 | H9 | 50.5° | 60.0° |
| H7 | C35 | C34 | H8 | 70.4° | 60.0° |
| H7 | C35 | C34 | H9 | 170.0° | 180.0° |
| H8 | C34 | C33 | H10 | 168.7° | 180.0° |
| H8 | C34 | C33 | H11 | 71.3° | 60.0° |
| H9 | C34 | C33 | H10 | 49.2° | 60.0° |
| H9 | C34 | C33 | H11 | 169.2° | 180.0° |
| H14 | C27 | C26 | H15 | 0.3° | 0.3° |
| H15 | C26 | C25 | H16 | 0.0° | 0.7° |
| H16 | C25 | C24 | H17 | 0.4° | 0.2° |
| H18 | C28 | C29 | H19 | 0.3° | 0.1° |
| H19 | C29 | C30 | H20 | 0.1° | 1.0° |
| H20 | C30 | C31 | H21 | 0.3° | 0.2° |
| H22 | C6 | C5 | H24 | 165.5° | 175.1° |
| H22 | C6 | C5 | H25 | 46.0° | 64.9° |
| H23 | C6 | C5 | H24 | 74.5° | 55.1° |
| H23 | C6 | C5 | H25 | 166.0° | 175.1° |
| H24 | C5 | C4 | H26 | 53.0° | 180.0° |
| H24 | C5 | C4 | H27 | 172.5° | 60.0° |
| H25 | C5 | C4 | H26 | 66.5° | 60.0° |
| H25 | C5 | C4 | H27 | 53.0° | 180.0° |
| H26 | C4 | C3 | H28 | 165.1° | 179.9° |
| H26 | C4 | C3 | H29 | 75.3° | 60.1° |
| H27 | C4 | C3 | H28 | 75.3° | 60.0° |
| H27 | C4 | C3 | H29 | 44.2° | 180.0° |
| H28 | C3 | C2 | H30 | 52.9° | 180.0° |
| H28 | C3 | C2 | H31 | 66.6° | 60.0° |
| H29 | C3 | C2 | H30 | 172.5° | 60.0° |
| H29 | C3 | C2 | H31 | 52.9° | 180.0° |
| H30 | C2 | C1 | H32 | 175.8° | 180.0° |
| H30 | C2 | C1 | H33 | 56.3° | 60.0° |
| H31 | C2 | C1 | H32 | 64.7° | 60.0° |
| H31 | C2 | C1 | H33 | 175.8° | NaN° |
| H32 | C1 | C | H34 | 135.9° | 179.9° |
| H32 | C1 | C | H35 | 104.5° | 60.0° |
| H33 | C1 | C | H34 | 16.4° | 59.9° |
| H33 | C1 | C | H35 | 136.0° | 180.0° |
| H34 | C | C7 | H36 | 173.7° | 180.0° |
| H34 | C | C7 | H37 | 66.7° | 60.0° |
| H35 | C | C7 | H36 | 66.7° | 60.1° |
| H35 | C | C7 | H37 | 52.9° | 179.9° |
| H36 | C7 | C8 | H38 | 4.1° | 180.0° |
| H36 | C7 | C8 | H39 | 114.7° | 60.0° |
| H37 | C7 | C8 | H38 | 115.4° | 60.0° |
| H37 | C7 | C8 | H39 | 125.7° | 180.0° |
| H38 | C8 | C9 | H40 | 60.4° | 179.9° |
| H38 | C8 | C9 | H41 | 58.1° | 60.1° |
| H39 | C8 | C9 | H40 | 179.3° | 60.0° |
| H39 | C8 | C9 | H41 | 60.8° | 180.0° |
| H40 | C9 | C10 | H42 | 131.0° | 180.0° |
| H40 | C9 | C10 | H43 | 108.7° | 59.9° |
| H41 | C9 | C10 | H42 | 12.5° | 60.0° |
| H41 | C9 | C10 | H43 | 132.9° | 180.0° |
| H42 | C10 | C11 | H44 | 161.9° | 179.9° |
| H42 | C10 | C11 | H45 | 77.9° | 60.1° |
| H43 | C10 | C11 | H44 | 41.5° | 59.9° |
| H43 | C10 | C11 | H45 | 161.7° | 180.0° |
| H44 | C11 | C12 | H46 | 112.2° | 175.0° |
| H45 | C11 | C12 | H46 | 127.6° | 65.0° |
| H46 | C12 | C13 | H47 | 179.3° | 179.9° |
