9NY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C39 | sing | 1.53Å | 1.48Å | |
| C39 | C37 | sing | 1.53Å | 1.49Å | |
| C37 | C34 | sing | 1.53Å | 1.50Å | |
| C34 | C32 | sing | 1.53Å | 1.46Å | |
| C32 | C28 | sing | 1.53Å | 1.46Å | |
| C28 | C26 | sing | 1.53Å | 1.47Å | |
| C22 | C26 | sing | 1.53Å | 1.44Å | |
| C22 | C20 | sing | 1.53Å | 1.46Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | C16 | sing | 1.53Å | 1.50Å | |
| C14 | C16 | sing | 1.53Å | 1.50Å | |
| C14 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C13 | C15 | sing | 1.53Å | 1.60Å | |
| C15 | C17 | sing | 1.53Å | 1.61Å | |
| C17 | C19 | sing | 1.53Å | 1.56Å | |
| C19 | C21 | sing | 1.53Å | 1.49Å | |
| C21 | C23 | sing | 1.53Å | 1.50Å | |
| C23 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C29 | sing | 1.53Å | 1.57Å | |
| C29 | C33 | sing | 1.53Å | 1.56Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C38 | sing | 1.53Å | 1.57Å | |
| C38 | C40 | sing | 1.53Å | 1.57Å | |
| C40 | C44 | sing | 1.51Å | 1.58Å | |
| O16 | C44 | doub | 1.21Å | 1.20Å | |
| C44 | S1 | sing | 1.71Å | 1.98Å | |
| C46 | C47 | sing | 1.53Å | 1.56Å | |
| C46 | S1 | sing | 1.81Å | 1.84Å | |
| C47 | N7 | sing | 1.47Å | 1.47Å | |
| N7 | C45 | sing | 1.35Å | 1.28Å | |
| O17 | C45 | doub | 1.21Å | 1.20Å | |
| C45 | C43 | sing | 1.51Å | 1.51Å | |
| C43 | C41 | sing | 1.53Å | 1.58Å | |
| C41 | N6 | sing | 1.47Å | 1.44Å | |
| O15 | C36 | doub | 1.21Å | 1.16Å | |
| N6 | C36 | sing | 1.35Å | 1.27Å | |
| C36 | C25 | sing | 1.51Å | 1.42Å | |
| C31 | C11 | sing | 1.53Å | 1.47Å | |
| C25 | O12 | sing | 1.43Å | 1.31Å | |
| C25 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C24 | sing | 1.53Å | 1.45Å | |
| C11 | C30 | sing | 1.53Å | 1.49Å | |
| O13 | P3 | doub | 1.48Å | 1.57Å | |
| C24 | O11 | sing | 1.43Å | 1.43Å | |
| O11 | P3 | sing | 1.61Å | 1.54Å | |
| P3 | O8 | sing | 1.61Å | 1.52Å | |
| P3 | O14 | sing | 1.61Å | 1.50Å | |
| O8 | P2 | sing | 1.61Å | 1.47Å | |
| P2 | O9 | doub | 1.48Å | 1.39Å | |
| P2 | O4 | sing | 1.61Å | 1.66Å | |
| P2 | O10 | sing | 1.61Å | 1.44Å | |
| O4 | C10 | sing | 1.43Å | 1.48Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | O3 | sing | 1.44Å | 1.34Å | |
| C9 | C8 | sing | 1.54Å | 1.49Å | |
| O3 | C5 | sing | 1.44Å | 1.46Å | |
| O2 | C8 | sing | 1.43Å | 1.44Å | |
| O2 | P1 | sing | 1.61Å | 1.62Å | |
| C8 | C7 | sing | 1.55Å | 1.48Å | |
| O7 | P1 | doub | 1.48Å | 1.46Å | |
| P1 | O6 | sing | 1.61Å | 1.55Å | |
| P1 | O5 | sing | 1.61Å | 1.60Å | |
| C5 | C7 | sing | 1.55Å | 1.50Å | |
| C5 | N5 | sing | 1.47Å | 1.58Å | |
| C7 | O1 | sing | 1.43Å | 1.45Å | |
| C4 | N5 | sing | 1.36Å | 1.33Å | Aromatic |
| C4 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
| N5 | C1 | sing | 1.37Å | 1.36Å | Aromatic |
| N4 | C2 | sing | 1.35Å | 1.32Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.34Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.33Å | Aromatic |
| N2 | C6 | doub | 1.32Å | 1.40Å | Aromatic |
| C3 | N3 | sing | 1.38Å | 1.31Å | |
| C3 | N1 | doub | 1.33Å | 1.31Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H68 | sing | 1.09Å | 1.10Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | H72 | sing | 1.09Å | 1.10Å | |
| C46 | H73 | sing | 1.09Å | 1.10Å | |
| C46 | H74 | sing | 1.09Å | 1.10Å | |
| C47 | H75 | sing | 1.09Å | 1.10Å | |
| C47 | H76 | sing | 1.09Å | 1.10Å | |
| N3 | H77 | sing | 0.97Å | 1.00Å | |
| N3 | H78 | sing | 0.97Å | 1.00Å | |
| N6 | H79 | sing | 0.97Å | 1.00Å | |
| N7 | H80 | sing | 0.97Å | 1.00Å | |
| O1 | H81 | sing | 0.97Å | 0.95Å | |
| O5 | H82 | sing | 0.97Å | 0.95Å | |
| O6 | H83 | sing | 0.97Å | 0.95Å | |
| O10 | H84 | sing | 0.97Å | 0.95Å | |
| O12 | H85 | sing | 0.97Å | 0.95Å | |
| O14 | H86 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C42 | C39 | C37 | 114.4° | 109.5° |
| C42 | C39 | H62 | 108.2° | 109.4° |
| C42 | C39 | H63 | 108.2° | 109.5° |
| C39 | C42 | H68 | 109.5° | 109.5° |
| C39 | C42 | H69 | 109.4° | 109.4° |
| C39 | C42 | H70 | 109.5° | 109.5° |
| C39 | C37 | C34 | 110.4° | 109.5° |
| C39 | C37 | H58 | 109.2° | 109.4° |
| C39 | C37 | H59 | 109.2° | 109.5° |
| C37 | C39 | H62 | 108.2° | 109.5° |
| C37 | C39 | H63 | 108.2° | 109.5° |
| C37 | C34 | C32 | 109.9° | 109.5° |
| C37 | C34 | H54 | 109.3° | 109.5° |
| C37 | C34 | H55 | 109.3° | 109.5° |
| C34 | C37 | H58 | 109.3° | 109.5° |
| C34 | C37 | H59 | 109.2° | 109.5° |
| C34 | C32 | C28 | 108.4° | 109.5° |
| C34 | C32 | H50 | 109.8° | 109.4° |
| C34 | C32 | H51 | 109.8° | 109.5° |
| C32 | C34 | H54 | 109.4° | 109.5° |
| C32 | C34 | H55 | 109.4° | 109.5° |
| C32 | C28 | C26 | 107.1° | 109.4° |
| C32 | C28 | H40 | 110.0° | 109.5° |
| C32 | C28 | H41 | 110.0° | 109.5° |
| C28 | C32 | H50 | 109.7° | 109.5° |
| C28 | C32 | H51 | 109.7° | 109.5° |
| C28 | C26 | C22 | 101.6° | 109.5° |
| C28 | C26 | H36 | 111.4° | 109.5° |
| C28 | C26 | H37 | 111.4° | 109.5° |
| C26 | C28 | H40 | 110.0° | 109.5° |
| C26 | C28 | H41 | 110.1° | 109.5° |
| C26 | C22 | C20 | 114.9° | 109.5° |
| C26 | C22 | H29 | 108.1° | 109.5° |
| C26 | C22 | H30 | 108.1° | 109.5° |
| C22 | C26 | H36 | 111.4° | 109.4° |
| C22 | C26 | H37 | 111.4° | 109.4° |
| C22 | C20 | C18 | 107.5° | 109.5° |
| C22 | C20 | H25 | 109.9° | 109.5° |
| C22 | C20 | H26 | 110.0° | 109.5° |
| C20 | C22 | H29 | 108.1° | 109.5° |
| C20 | C22 | H30 | 108.1° | 109.5° |
| C20 | C18 | C16 | 115.3° | 109.5° |
| C20 | C18 | H21 | 108.0° | 109.5° |
| C20 | C18 | H22 | 108.0° | 109.5° |
| C18 | C20 | H25 | 110.0° | 109.5° |
| C18 | C20 | H26 | 109.9° | 109.4° |
| C18 | C16 | C14 | 110.7° | 109.5° |
| C18 | C16 | H17 | 109.2° | 109.5° |
| C18 | C16 | H18 | 109.2° | 109.5° |
| C16 | C18 | H21 | 108.0° | 109.5° |
| C16 | C18 | H22 | 108.0° | 109.5° |
| C16 | C14 | C12 | 116.8° | 109.5° |
| C16 | C14 | H13 | 107.6° | 109.5° |
| C16 | C14 | H14 | 107.6° | 109.5° |
| C14 | C16 | H17 | 109.2° | 109.4° |
| C14 | C16 | H18 | 109.2° | 109.4° |
| C14 | C12 | C13 | 117.4° | 109.5° |
| C14 | C12 | H9 | 107.5° | 109.5° |
| C14 | C12 | H10 | 107.5° | 109.4° |
| C12 | C14 | H13 | 107.6° | 109.5° |
| C12 | C14 | H14 | 107.6° | 109.4° |
| C12 | C13 | C15 | 115.9° | 109.5° |
| C13 | C12 | H9 | 107.4° | 109.5° |
| C13 | C12 | H10 | 107.5° | 109.5° |
| C12 | C13 | H11 | 107.8° | 109.5° |
| C12 | C13 | H12 | 107.8° | 109.5° |
| C13 | C15 | C17 | 119.8° | 109.5° |
| C15 | C13 | H11 | 107.8° | 109.5° |
| C15 | C13 | H12 | 107.8° | 109.5° |
| C13 | C15 | H15 | 106.9° | 109.4° |
| C13 | C15 | H16 | 106.8° | 109.5° |
| C15 | C17 | C19 | 120.2° | 109.5° |
| C17 | C15 | H15 | 106.8° | 109.5° |
| C17 | C15 | H16 | 106.8° | 109.4° |
| C15 | C17 | H19 | 106.7° | 109.4° |
| C15 | C17 | H20 | 106.7° | 109.5° |
| C17 | C19 | C21 | 111.5° | 109.5° |
| C19 | C17 | H19 | 106.8° | 109.5° |
| C19 | C17 | H20 | 106.7° | 109.5° |
| C17 | C19 | H23 | 109.0° | 109.5° |
| C17 | C19 | H24 | 109.0° | 109.5° |
| C19 | C21 | C23 | 110.7° | 109.5° |
| C21 | C19 | H23 | 108.9° | 109.5° |
| C21 | C19 | H24 | 108.9° | 109.5° |
| C19 | C21 | H27 | 109.1° | 109.4° |
| C19 | C21 | H28 | 109.2° | 109.5° |
| C21 | C23 | C27 | 110.4° | 109.4° |
| C23 | C21 | H27 | 109.2° | 109.5° |
| C23 | C21 | H28 | 109.1° | 109.5° |
| C21 | C23 | H31 | 109.2° | 109.5° |
| C21 | C23 | H32 | 109.2° | 109.5° |
| C23 | C27 | C29 | 115.4° | 109.4° |
| C27 | C23 | H31 | 109.3° | 109.5° |
| C27 | C23 | H32 | 109.3° | 109.4° |
| C23 | C27 | H38 | 108.0° | 109.5° |
| C23 | C27 | H39 | 108.0° | 109.4° |
| C27 | C29 | C33 | 111.8° | 109.5° |
| C29 | C27 | H38 | 108.0° | 109.5° |
| C29 | C27 | H39 | 107.9° | 109.5° |
| C27 | C29 | H42 | 108.9° | 109.5° |
| C27 | C29 | H43 | 108.9° | 109.5° |
| C29 | C33 | C35 | 117.2° | 109.5° |
| C33 | C29 | H42 | 108.9° | 109.5° |
| C33 | C29 | H43 | 108.9° | 109.5° |
| C29 | C33 | H52 | 107.5° | 109.4° |
| C29 | C33 | H53 | 107.5° | 109.5° |
| C33 | C35 | C38 | 115.9° | 109.5° |
| C35 | C33 | H52 | 107.5° | 109.5° |
| C35 | C33 | H53 | 107.5° | 109.5° |
| C33 | C35 | H56 | 107.8° | 109.5° |
| C33 | C35 | H57 | 107.8° | 109.5° |
| C35 | C38 | C40 | 119.6° | 109.5° |
| C38 | C35 | H56 | 107.9° | 109.5° |
| C38 | C35 | H57 | 107.8° | 109.5° |
| C35 | C38 | H60 | 106.9° | 109.4° |
| C35 | C38 | H61 | 106.9° | 109.4° |
| C38 | C40 | C44 | 121.9° | 109.5° |
| C40 | C38 | H60 | 106.9° | 109.5° |
| C40 | C38 | H61 | 106.9° | 109.5° |
| C38 | C40 | H64 | 106.3° | 109.5° |
| C38 | C40 | H65 | 106.3° | 109.5° |
| C40 | C44 | O16 | 120.8° | 120.0° |
| C40 | C44 | S1 | 118.7° | 120.0° |
| C44 | C40 | H64 | 106.3° | 109.5° |
| C44 | C40 | H65 | 106.3° | 109.4° |
| O16 | C44 | S1 | 120.5° | 120.0° |
| C44 | S1 | C46 | 98.9° | 100.0° |
| C47 | C46 | S1 | 112.7° | 109.5° |
| C46 | C47 | N7 | 111.5° | 109.5° |
| C47 | C46 | H73 | 108.7° | 109.5° |
| C47 | C46 | H74 | 108.6° | 109.5° |
| C46 | C47 | H75 | 109.0° | 109.4° |
| C46 | C47 | H76 | 109.0° | 109.5° |
| S1 | C46 | H73 | 108.6° | 109.5° |
| S1 | C46 | H74 | 108.7° | 109.5° |
| C47 | N7 | C45 | 119.2° | 120.0° |
| N7 | C47 | H75 | 109.0° | 109.4° |
| N7 | C47 | H76 | 108.9° | 109.5° |
| C47 | N7 | H80 | 120.4° | 120.0° |
| N7 | C45 | O17 | 121.6° | 120.0° |
| N7 | C45 | C43 | 115.8° | 120.0° |
| C45 | N7 | H80 | 120.4° | 120.0° |
| O17 | C45 | C43 | 122.4° | 120.0° |
| C45 | C43 | C41 | 117.1° | 109.5° |
| C45 | C43 | H71 | 107.5° | 109.5° |
| C45 | C43 | H72 | 107.5° | 109.5° |
| C43 | C41 | N6 | 106.9° | 109.5° |
| C43 | C41 | H66 | 110.1° | 109.4° |
| C43 | C41 | H67 | 110.1° | 109.5° |
| C41 | C43 | H71 | 107.6° | 109.5° |
| C41 | C43 | H72 | 107.5° | 109.4° |
| C41 | N6 | C36 | 124.2° | 120.0° |
| N6 | C41 | H66 | 110.1° | 109.4° |
| N6 | C41 | H67 | 110.1° | 109.5° |
| C41 | N6 | H79 | 117.9° | 120.0° |
| O15 | C36 | N6 | 122.7° | 120.0° |
| O15 | C36 | C25 | 121.5° | 120.0° |
| N6 | C36 | C25 | 115.8° | 120.0° |
| C36 | N6 | H79 | 117.9° | 120.0° |
| C36 | C25 | O12 | 101.7° | 109.5° |
| C36 | C25 | C11 | 119.9° | 109.5° |
| C36 | C25 | H35 | 108.7° | 109.5° |
| C31 | C11 | C25 | 115.5° | 109.5° |
| C31 | C11 | C24 | 115.9° | 109.5° |
| C31 | C11 | C30 | 106.8° | 109.5° |
| C11 | C31 | H47 | 109.5° | 109.5° |
| C11 | C31 | H48 | 109.4° | 109.4° |
| C11 | C31 | H49 | 109.5° | 109.5° |
| O12 | C25 | C11 | 108.5° | 109.5° |
| O12 | C25 | H35 | 110.2° | 109.4° |
| C25 | O12 | H85 | 109.5° | 114.0° |
| C25 | C11 | C24 | 106.4° | 109.4° |
| C25 | C11 | C30 | 111.0° | 109.5° |
| C11 | C25 | H35 | 107.5° | 109.4° |
| C24 | C11 | C30 | 100.2° | 109.4° |
| C11 | C24 | O11 | 120.4° | 109.4° |
| C11 | C24 | H33 | 106.7° | 109.5° |
| C11 | C24 | H34 | 106.7° | 109.4° |
| C11 | C30 | H44 | 109.5° | 109.5° |
| C11 | C30 | H45 | 109.4° | 109.5° |
| C11 | C30 | H46 | 109.5° | 109.5° |
| O13 | P3 | O11 | 91.1° | 109.5° |
| O13 | P3 | O8 | 88.6° | 109.5° |
| O13 | P3 | O14 | 132.2° | 109.5° |
| C24 | O11 | P3 | 110.6° | 123.0° |
| O11 | C24 | H33 | 106.7° | 109.4° |
| O11 | C24 | H34 | 106.6° | 109.5° |
| O11 | P3 | O8 | 122.2° | 109.5° |
| O11 | P3 | O14 | 91.1° | 109.5° |
| O8 | P3 | O14 | 128.7° | 109.5° |
| P3 | O8 | P2 | 119.8° | 134.0° |
| P3 | O14 | H86 | 109.5° | 114.0° |
| O8 | P2 | O9 | 105.5° | 109.5° |
| O8 | P2 | O4 | 123.3° | 109.5° |
| O8 | P2 | O10 | 103.5° | 109.5° |
| O9 | P2 | O4 | 90.2° | 109.5° |
| O9 | P2 | O10 | 112.3° | 109.5° |
| O4 | P2 | O10 | 120.2° | 109.4° |
| P2 | O4 | C10 | 134.6° | 123.0° |
| P2 | O10 | H84 | 109.5° | 114.0° |
| O4 | C10 | C9 | 116.4° | 109.5° |
| O4 | C10 | H7 | 107.7° | 109.5° |
| O4 | C10 | H8 | 107.7° | 109.4° |
| C10 | C9 | O3 | 109.9° | 109.9° |
| C10 | C9 | C8 | 111.9° | 109.9° |
| C10 | C9 | H6 | 110.5° | 110.0° |
| C9 | C10 | H7 | 107.7° | 109.5° |
| C9 | C10 | H8 | 107.7° | 109.4° |
| O3 | C9 | C8 | 99.7° | 107.3° |
| C9 | O3 | C5 | 101.2° | 106.9° |
| O3 | C9 | H6 | 113.4° | 109.8° |
| C9 | C8 | O2 | 113.1° | 110.6° |
| C9 | C8 | C7 | 103.4° | 104.2° |
| C9 | C8 | H5 | 109.0° | 110.5° |
| C8 | C9 | H6 | 111.0° | 109.9° |
| O3 | C5 | C7 | 102.7° | 103.5° |
| O3 | C5 | N5 | 118.4° | 110.6° |
| O3 | C5 | H2 | 108.6° | 110.7° |
| C8 | O2 | P1 | 129.6° | 123.0° |
| O2 | C8 | C7 | 112.4° | 110.5° |
| O2 | C8 | H5 | 109.6° | 110.4° |
| O2 | P1 | O7 | 113.5° | 109.5° |
| O2 | P1 | O6 | 104.8° | 109.5° |
| O2 | P1 | O5 | 103.6° | 109.5° |
| C8 | C7 | C5 | 101.7° | 102.1° |
| C8 | C7 | O1 | 112.7° | 110.9° |
| C8 | C7 | H4 | 109.7° | 111.0° |
| C7 | C8 | H5 | 109.1° | 110.5° |
| O7 | P1 | O6 | 114.0° | 109.5° |
| O7 | P1 | O5 | 116.3° | 109.4° |
| O6 | P1 | O5 | 103.2° | 109.5° |
| P1 | O6 | H83 | 109.5° | 114.0° |
| P1 | O5 | H82 | 109.5° | 114.0° |
| C7 | C5 | N5 | 111.6° | 110.6° |
| C5 | C7 | O1 | 112.8° | 110.9° |
| C7 | C5 | H2 | 108.1° | 110.6° |
| C5 | C7 | H4 | 109.4° | 110.9° |
| C5 | N5 | C4 | 117.5° | 126.3° |
| C5 | N5 | C1 | 137.7° | 126.2° |
| N5 | C5 | H2 | 107.2° | 110.5° |
| O1 | C7 | H4 | 110.2° | 110.8° |
| C7 | O1 | H81 | 109.5° | 114.0° |
| N5 | C4 | N4 | 110.1° | 110.0° |
| C4 | N5 | C1 | 104.8° | 107.5° |
| N5 | C4 | H1 | 124.9° | 125.0° |
| C4 | N4 | C2 | 108.8° | 109.4° |
| N4 | C4 | H1 | 125.0° | 125.0° |
| N5 | C1 | C2 | 109.5° | 106.0° |
| N5 | C1 | N2 | 133.7° | 135.0° |
| N4 | C2 | C1 | 106.9° | 107.1° |
| N4 | C2 | C3 | 130.6° | 134.7° |
| C2 | C1 | N2 | 116.8° | 119.0° |
| C1 | C2 | C3 | 122.6° | 118.2° |
| C1 | N2 | C6 | 120.9° | 120.7° |
| C2 | C3 | N3 | 116.6° | 120.7° |
| C2 | C3 | N1 | 122.8° | 118.4° |
| N2 | C6 | N1 | 119.1° | 122.5° |
| N2 | C6 | H3 | 120.4° | 118.8° |
| N3 | C3 | N1 | 120.6° | 120.8° |
| C3 | N3 | H77 | 109.5° | 120.0° |
| C3 | N3 | H78 | 109.5° | 120.0° |
| C3 | N1 | C6 | 117.8° | 121.2° |
| N1 | C6 | H3 | 120.4° | 118.7° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.4° | 109.5° |
| H11 | C13 | H12 | 109.4° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.6° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.4° |
| H23 | C19 | H24 | 109.5° | 109.4° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.4° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.5° |
| H38 | C27 | H39 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.5° | 109.5° |
| H42 | C29 | H43 | 109.5° | 109.4° |
| H44 | C30 | H45 | 109.5° | 109.4° |
| H44 | C30 | H46 | 109.4° | 109.4° |
| H45 | C30 | H46 | 109.5° | 109.4° |
| H47 | C31 | H48 | 109.5° | 109.5° |
| H47 | C31 | H49 | 109.5° | 109.5° |
| H48 | C31 | H49 | 109.5° | 109.5° |
| H50 | C32 | H51 | 109.5° | 109.4° |
| H52 | C33 | H53 | 109.4° | 109.5° |
| H54 | C34 | H55 | 109.5° | 109.4° |
| H56 | C35 | H57 | 109.5° | 109.4° |
| H58 | C37 | H59 | 109.5° | 109.5° |
| H60 | C38 | H61 | 109.5° | 109.5° |
| H62 | C39 | H63 | 109.4° | 109.5° |
| H64 | C40 | H65 | 109.4° | 109.5° |
| H66 | C41 | H67 | 109.5° | 109.5° |
| H68 | C42 | H69 | 109.5° | 109.5° |
| H68 | C42 | H70 | 109.5° | 109.5° |
| H69 | C42 | H70 | 109.4° | 109.5° |
| H71 | C43 | H72 | 109.5° | 109.4° |
| H73 | C46 | H74 | 109.5° | 109.5° |
| H75 | C47 | H76 | 109.5° | 109.5° |
| H77 | N3 | H78 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C42 | C39 | C37 | H62 | 120.7° | 119.9° |
| C42 | C39 | C37 | H63 | 120.7° | 120.0° |
| C42 | C39 | C37 | C34 | 140.3° | 180.0° |
| C42 | C39 | C37 | H58 | 20.1° | 60.0° |
| C42 | C39 | C37 | H59 | 99.6° | 60.0° |
| C42 | C39 | H62 | H63 | 117.7° | 120.0° |
| C39 | C42 | H68 | H69 | 120.0° | 119.9° |
| C39 | C42 | H68 | H70 | 120.0° | 120.0° |
| C39 | C42 | H69 | H70 | 120.0° | 120.0° |
| C39 | C37 | C34 | H58 | 120.1° | 119.9° |
| C39 | C37 | C34 | H59 | 120.1° | 120.0° |
| C39 | C37 | C34 | C32 | 145.3° | 180.0° |
| C39 | C37 | C34 | H54 | 94.6° | 60.0° |
| C39 | C37 | C34 | H55 | 25.3° | 60.0° |
| C39 | C37 | H58 | H59 | 119.6° | 120.0° |
| C37 | C39 | H62 | H63 | 117.8° | 120.0° |
| C37 | C39 | C42 | H68 | 180.0° | 60.0° |
| C37 | C39 | C42 | H69 | 60.0° | 60.0° |
| C37 | C39 | C42 | H70 | 60.0° | 180.0° |
| C37 | C34 | C32 | H54 | 120.0° | 120.0° |
| C37 | C34 | C32 | H55 | 120.0° | 120.0° |
| C37 | C34 | C32 | C28 | 170.3° | NaN° |
| C37 | C34 | C32 | H50 | 50.5° | 60.0° |
| C37 | C34 | C32 | H51 | 69.9° | 60.0° |
| C37 | C34 | H54 | H55 | 119.8° | 120.0° |
| C34 | C37 | H58 | H59 | 119.6° | 120.1° |
| C34 | C37 | C39 | H62 | 99.0° | 60.1° |
| C34 | C37 | C39 | H63 | 19.5° | 60.0° |
| C34 | C32 | C28 | H50 | 119.8° | 120.0° |
| C34 | C32 | C28 | H51 | 119.8° | 120.0° |
| C34 | C32 | C28 | C26 | 158.7° | 180.0° |
| C34 | C32 | C28 | H40 | 39.1° | 60.0° |
| C34 | C32 | C28 | H41 | 81.7° | 60.0° |
| C34 | C32 | H50 | H51 | 120.5° | 119.9° |
| C32 | C34 | H54 | H55 | 119.9° | 120.0° |
| C32 | C34 | C37 | H58 | 25.2° | 60.1° |
| C32 | C34 | C37 | H59 | 94.6° | 60.0° |
| C32 | C28 | C26 | H40 | 119.6° | 120.0° |
| C32 | C28 | C26 | H41 | 119.6° | 120.0° |
| C32 | C28 | C26 | C22 | 177.1° | 180.0° |
| C32 | C28 | C26 | H36 | 58.4° | 60.1° |
| C32 | C28 | C26 | H37 | 64.2° | 60.0° |
| C32 | C28 | H40 | H41 | 121.1° | 120.0° |
| C28 | C32 | H50 | H51 | 120.5° | 120.0° |
| C28 | C32 | C34 | H54 | 69.7° | 60.0° |
| C28 | C32 | C34 | H55 | 50.3° | 60.0° |
| C28 | C26 | C22 | H36 | 118.7° | 120.0° |
| C28 | C26 | C22 | H37 | 118.7° | 120.0° |
| C28 | C26 | C22 | C20 | 167.9° | 180.0° |
| C28 | C26 | C22 | H29 | 47.1° | 60.0° |
| C28 | C26 | C22 | H30 | 71.2° | 60.0° |
| C28 | C26 | H36 | H37 | 123.7° | 120.1° |
| C26 | C28 | H40 | H41 | 121.1° | 120.0° |
| C26 | C28 | C32 | H50 | 81.5° | 60.0° |
| C26 | C28 | C32 | H51 | 38.8° | 60.0° |
| C26 | C22 | C20 | H29 | 120.8° | 120.0° |
| C26 | C22 | C20 | H30 | 120.8° | 120.0° |
| C26 | C22 | C20 | C18 | 176.8° | 180.0° |
| C26 | C22 | C20 | H25 | 57.1° | 60.0° |
| C26 | C22 | C20 | H26 | 63.5° | 60.0° |
| C26 | C22 | H29 | H30 | 117.5° | 120.0° |
| C22 | C26 | H36 | H37 | 123.7° | 119.9° |
| C22 | C26 | C28 | H40 | 63.3° | 60.0° |
| C22 | C26 | C28 | H41 | 57.5° | 60.0° |
| C22 | C20 | C18 | H25 | 119.7° | 120.0° |
| C22 | C20 | C18 | H26 | 119.7° | 120.0° |
| C22 | C20 | C18 | C16 | 159.1° | 180.0° |
| C22 | C20 | C18 | H21 | 80.0° | 60.0° |
| C22 | C20 | C18 | H22 | 38.2° | 60.0° |
| C22 | C20 | H25 | H26 | 120.9° | 120.0° |
| C20 | C22 | H29 | H30 | 117.5° | 120.0° |
| C20 | C22 | C26 | H36 | 73.4° | 60.0° |
| C20 | C22 | C26 | H37 | 49.2° | 60.0° |
| C20 | C18 | C16 | H21 | 120.9° | 120.0° |
| C20 | C18 | C16 | H22 | 120.8° | 120.0° |
| C20 | C18 | C16 | C14 | 168.1° | 180.0° |
| C20 | C18 | C16 | H17 | 47.9° | 60.1° |
| C20 | C18 | C16 | H18 | 71.7° | 60.0° |
| C20 | C18 | H21 | H22 | 117.3° | 120.0° |
| C18 | C20 | H25 | H26 | 120.9° | 119.9° |
| C18 | C20 | C22 | H29 | 62.4° | 60.0° |
| C18 | C20 | C22 | H30 | 56.0° | 60.0° |
| C18 | C16 | C14 | H17 | 120.2° | 120.0° |
| C18 | C16 | C14 | H18 | 120.2° | 120.0° |
| C18 | C16 | C14 | C12 | 131.0° | 179.9° |
| C18 | C16 | C14 | H13 | 9.9° | 60.0° |
| C18 | C16 | C14 | H14 | 108.0° | 60.0° |
| C18 | C16 | H17 | H18 | 119.4° | 120.1° |
| C16 | C18 | H21 | H22 | 117.4° | 120.0° |
| C16 | C18 | C20 | H25 | 39.4° | 60.0° |
| C16 | C18 | C20 | H26 | 81.2° | 60.0° |
| C16 | C14 | C12 | H13 | 121.1° | 120.0° |
| C16 | C14 | C12 | H14 | 121.1° | 120.0° |
| C16 | C14 | C12 | C13 | 122.7° | NaN° |
| C16 | C14 | C12 | H9 | 1.5° | 60.0° |
| C16 | C14 | C12 | H10 | 116.2° | 60.0° |
| C16 | C14 | H13 | H14 | 116.7° | 120.0° |
| C14 | C16 | H17 | H18 | 119.5° | 119.9° |
| C14 | C16 | C18 | H21 | 71.0° | 60.0° |
| C14 | C16 | C18 | H22 | 47.3° | 60.0° |
| C14 | C12 | C13 | H9 | 121.2° | 120.1° |
| C14 | C12 | C13 | H10 | 121.2° | 119.9° |
| C14 | C12 | C13 | C15 | 128.1° | 179.9° |
| C14 | C12 | H9 | H10 | 116.4° | 120.0° |
| C14 | C12 | C13 | H11 | 110.9° | 60.0° |
| C14 | C12 | C13 | H12 | 7.2° | 59.9° |
| C12 | C14 | H13 | H14 | 116.7° | 120.0° |
| C12 | C14 | C16 | H17 | 108.9° | 60.0° |
| C12 | C14 | C16 | H18 | 10.8° | 60.0° |
| C12 | C13 | C15 | H11 | 120.9° | 120.0° |
| C12 | C13 | C15 | H12 | 121.0° | 120.0° |
| C12 | C13 | C15 | C17 | 99.2° | 180.0° |
| C13 | C12 | H9 | H10 | 116.4° | 120.0° |
| C12 | C13 | H11 | H12 | 117.1° | 120.0° |
| C13 | C12 | C14 | H13 | 116.3° | 60.0° |
| C13 | C12 | C14 | H14 | 1.6° | 60.0° |
| C12 | C13 | C15 | H15 | 139.3° | 60.0° |
| C12 | C13 | C15 | H16 | 22.2° | 60.0° |
| C13 | C15 | C17 | H15 | 121.4° | 120.0° |
| C13 | C15 | C17 | H16 | 121.4° | 120.0° |
| C13 | C15 | C17 | C19 | 151.8° | 180.0° |
| C15 | C13 | C12 | H9 | 6.9° | 60.0° |
| C15 | C13 | C12 | H10 | 110.7° | 60.0° |
| C15 | C13 | H11 | H12 | 117.1° | 120.0° |
| C13 | C15 | H15 | H16 | 115.4° | 120.0° |
| C13 | C15 | C17 | H19 | 30.3° | 60.0° |
| C13 | C15 | C17 | H20 | 86.7° | 60.0° |
| C15 | C17 | C19 | H19 | 121.5° | 120.0° |
| C15 | C17 | C19 | H20 | 121.5° | 120.0° |
| C15 | C17 | C19 | C21 | 87.1° | 180.0° |
| C17 | C15 | C13 | H11 | 21.7° | 60.0° |
| C17 | C15 | C13 | H12 | 139.8° | 60.0° |
| C17 | C15 | H15 | H16 | 115.3° | 120.0° |
| C15 | C17 | H19 | H20 | 115.2° | 119.9° |
| C15 | C17 | C19 | H23 | 33.2° | 60.0° |
| C15 | C17 | C19 | H24 | 152.6° | 60.0° |
| C17 | C19 | C21 | H23 | 120.3° | 120.0° |
| C17 | C19 | C21 | H24 | 120.3° | 120.0° |
| C17 | C19 | C21 | C23 | 146.4° | 180.0° |
| C19 | C17 | C15 | H15 | 86.7° | 60.1° |
| C19 | C17 | C15 | H16 | 30.4° | 60.0° |
| C19 | C17 | H19 | H20 | 115.2° | 120.1° |
| C17 | C19 | H23 | H24 | 119.1° | 120.0° |
| C17 | C19 | C21 | H27 | 26.2° | 60.0° |
| C17 | C19 | C21 | H28 | 93.4° | 60.0° |
| C19 | C21 | C23 | H27 | 120.2° | 120.0° |
| C19 | C21 | C23 | H28 | 120.2° | 120.0° |
| C19 | C21 | C23 | C27 | 178.2° | 180.0° |
| C21 | C19 | C17 | H19 | 151.4° | 60.0° |
| C21 | C19 | C17 | H20 | 34.4° | 60.0° |
| C21 | C19 | H23 | H24 | 119.0° | 120.0° |
| C19 | C21 | H27 | H28 | 119.4° | 119.9° |
| C19 | C21 | C23 | H31 | 58.0° | 60.0° |
| C19 | C21 | C23 | H32 | 61.7° | 60.0° |
| C21 | C23 | C27 | H31 | 120.1° | 120.0° |
| C21 | C23 | C27 | H32 | 120.1° | 119.9° |
| C21 | C23 | C27 | C29 | 161.7° | 180.0° |
| C23 | C21 | C19 | H23 | 93.3° | 60.0° |
| C23 | C21 | C19 | H24 | 26.1° | 60.0° |
| C23 | C21 | H27 | H28 | 119.4° | 120.1° |
| C21 | C23 | H31 | H32 | 119.5° | 120.0° |
| C21 | C23 | C27 | H38 | 40.8° | 60.0° |
| C21 | C23 | C27 | H39 | 77.5° | 60.0° |
| C23 | C27 | C29 | H38 | 120.9° | 120.0° |
| C23 | C27 | C29 | H39 | 120.9° | 119.9° |
| C23 | C27 | C29 | C33 | 163.1° | 180.0° |
| C27 | C23 | C21 | H27 | 61.7° | 60.0° |
| C27 | C23 | C21 | H28 | 58.0° | 60.0° |
| C27 | C23 | H31 | H32 | 119.6° | 120.0° |
| C23 | C27 | H38 | H39 | 117.3° | 120.0° |
| C23 | C27 | C29 | H42 | 76.6° | 60.0° |
| C23 | C27 | C29 | H43 | 42.7° | 60.0° |
| C27 | C29 | C33 | H42 | 120.4° | 120.0° |
| C27 | C29 | C33 | H43 | 120.4° | 120.0° |
| C27 | C29 | C33 | C35 | 156.1° | 180.0° |
| C29 | C27 | C23 | H31 | 78.2° | 60.0° |
| C29 | C27 | C23 | H32 | 41.5° | 60.1° |
| C29 | C27 | H38 | H39 | 117.3° | 120.1° |
| C27 | C29 | H42 | H43 | 119.0° | 120.0° |
| C27 | C29 | C33 | H52 | 35.0° | 60.0° |
| C27 | C29 | C33 | H53 | 82.8° | 60.0° |
| C29 | C33 | C35 | H52 | 121.1° | 120.0° |
| C29 | C33 | C35 | H53 | 121.1° | 120.0° |
| C29 | C33 | C35 | C38 | 89.2° | 180.0° |
| C33 | C29 | C27 | H38 | 42.2° | 60.0° |
| C33 | C29 | C27 | H39 | 76.1° | 60.1° |
| C33 | C29 | H42 | H43 | 118.9° | 120.0° |
| C29 | C33 | H52 | H53 | 116.5° | 120.0° |
| C29 | C33 | C35 | H56 | 31.7° | 60.0° |
| C29 | C33 | C35 | H57 | 149.9° | 60.0° |
| C33 | C35 | C38 | H56 | 120.9° | 120.0° |
| C33 | C35 | C38 | H57 | 120.9° | 120.0° |
| C33 | C35 | C38 | C40 | 75.1° | 180.0° |
| C35 | C33 | C29 | H42 | 83.5° | 60.0° |
| C35 | C33 | C29 | H43 | 35.7° | 60.0° |
| C35 | C33 | H52 | H53 | 116.5° | 120.0° |
| C33 | C35 | H56 | H57 | 117.0° | 120.0° |
| C33 | C35 | C38 | H60 | 46.3° | 60.0° |
| C33 | C35 | C38 | H61 | 163.5° | 60.0° |
| C35 | C38 | C40 | H60 | 121.4° | 120.0° |
| C35 | C38 | C40 | H61 | 121.4° | 120.0° |
| C35 | C38 | C40 | C44 | 119.7° | 180.0° |
| C38 | C35 | C33 | H52 | 149.7° | 60.0° |
| C38 | C35 | C33 | H53 | 31.9° | 60.0° |
| C38 | C35 | H56 | H57 | 117.1° | 120.0° |
| C35 | C38 | H60 | H61 | 115.4° | 120.0° |
| C35 | C38 | C40 | H64 | 2.0° | 60.0° |
| C35 | C38 | C40 | H65 | 118.6° | 60.0° |
| C38 | C40 | C44 | H64 | 121.8° | 120.0° |
| C38 | C40 | C44 | H65 | 121.7° | 120.0° |
| C38 | C40 | C44 | O16 | 10.9° | 0.1° |
| C38 | C40 | C44 | S1 | 170.7° | 180.0° |
| C40 | C38 | C35 | H56 | 164.0° | 60.0° |
| C40 | C38 | C35 | H57 | 45.8° | 60.0° |
| C40 | C38 | H60 | H61 | 115.5° | 120.1° |
| C38 | C40 | H64 | H65 | 114.4° | 120.0° |
| C40 | C44 | O16 | S1 | 178.4° | 179.9° |
| C40 | C44 | S1 | C46 | 51.6° | 180.0° |
| C44 | C40 | C38 | H60 | 118.9° | 60.0° |
| C44 | C40 | C38 | H61 | 1.7° | 60.1° |
| C44 | C40 | H64 | H65 | 114.3° | 119.9° |
| O16 | C44 | S1 | C46 | 126.8° | 0.0° |
| O16 | C44 | C40 | H64 | 110.9° | 120.0° |
| O16 | C44 | C40 | H65 | 132.6° | 120.1° |
| C44 | S1 | C46 | C47 | 75.9° | 180.0° |
| S1 | C44 | C40 | H64 | 67.5° | 60.0° |
| S1 | C44 | C40 | H65 | 49.0° | 60.0° |
| C44 | S1 | C46 | H73 | 163.6° | 60.0° |
| C44 | S1 | C46 | H74 | 44.5° | 60.0° |
| C47 | C46 | S1 | H73 | 120.5° | 120.0° |
| C47 | C46 | S1 | H74 | 120.5° | 120.0° |
| C46 | C47 | N7 | H75 | 120.3° | 119.9° |
| C46 | C47 | N7 | H76 | 120.3° | 120.0° |
| C46 | C47 | N7 | C45 | 123.8° | 180.0° |
| C47 | C46 | H73 | H74 | 118.5° | 120.0° |
| C46 | C47 | H75 | H76 | 119.1° | 120.0° |
| C46 | C47 | N7 | H80 | 56.2° | 0.1° |
| S1 | C46 | C47 | N7 | 114.2° | 180.0° |
| S1 | C46 | H73 | H74 | 118.5° | 120.0° |
| S1 | C46 | C47 | H75 | 6.1° | 60.0° |
| S1 | C46 | C47 | H76 | 125.5° | 60.0° |
| C47 | N7 | C45 | H80 | 180.0° | 179.9° |
| C47 | N7 | C45 | O17 | 4.9° | 0.0° |
| C47 | N7 | C45 | C43 | 179.6° | 180.0° |
| N7 | C47 | C46 | H73 | 6.2° | 60.0° |
| N7 | C47 | C46 | H74 | 125.3° | 60.0° |
| N7 | C47 | H75 | H76 | 119.1° | 120.0° |
| N7 | C45 | O17 | C43 | 175.1° | 180.0° |
| N7 | C45 | C43 | C41 | 113.2° | 180.0° |
| N7 | C45 | C43 | H71 | 7.9° | 60.0° |
| N7 | C45 | C43 | H72 | 125.7° | 60.0° |
| C45 | N7 | C47 | H75 | 3.5° | 60.1° |
| C45 | N7 | C47 | H76 | 115.9° | 60.0° |
| O17 | C45 | C43 | C41 | 71.4° | 0.0° |
| O17 | C45 | C43 | H71 | 167.5° | 120.0° |
| O17 | C45 | C43 | H72 | 49.7° | 120.0° |
| O17 | C45 | N7 | H80 | 175.1° | 180.0° |
| C45 | C43 | C41 | H71 | 121.1° | 120.1° |
| C45 | C43 | C41 | H72 | 121.1° | 120.0° |
| C45 | C43 | C41 | N6 | 155.7° | 180.0° |
| C45 | C43 | C41 | H66 | 36.1° | 60.0° |
| C45 | C43 | C41 | H67 | 84.7° | 60.0° |
| C45 | C43 | H71 | H72 | 116.5° | 120.0° |
| C43 | C45 | N7 | H80 | 0.4° | 0.0° |
| C43 | C41 | N6 | H66 | 119.6° | 119.9° |
| C43 | C41 | N6 | H67 | 119.6° | 120.0° |
| C43 | C41 | N6 | C36 | 160.9° | 180.0° |
| C43 | C41 | H66 | H67 | 121.2° | 120.0° |
| C41 | C43 | H71 | H72 | 116.5° | 119.9° |
| C43 | C41 | N6 | H79 | 19.0° | 0.0° |
| C41 | N6 | C36 | O15 | 5.3° | 4.4° |
| C41 | N6 | C36 | H79 | 180.0° | 180.0° |
| C41 | N6 | C36 | C25 | 173.3° | 175.6° |
| N6 | C41 | H66 | H67 | 121.2° | 120.0° |
| N6 | C41 | C43 | H71 | 83.2° | 59.9° |
| N6 | C41 | C43 | H72 | 34.6° | 60.0° |
| O15 | C36 | N6 | C25 | 178.5° | 180.0° |
| O15 | C36 | C25 | O12 | 114.4° | 8.1° |
| O15 | C36 | C25 | C11 | 5.2° | 111.9° |
| O15 | C36 | C25 | H35 | 129.3° | 128.1° |
| O15 | C36 | N6 | H79 | 174.8° | 175.6° |
| N6 | C36 | C25 | O12 | 67.0° | 171.9° |
| N6 | C36 | C25 | C11 | 173.4° | 68.1° |
| N6 | C36 | C25 | H35 | 49.3° | 51.9° |
| C36 | N6 | C41 | H66 | 41.3° | 60.0° |
| C36 | N6 | C41 | H67 | 79.5° | 60.0° |
| C36 | C25 | C11 | C31 | 33.8° | 174.3° |
| C36 | C25 | O12 | C11 | 127.4° | 120.0° |
| C36 | C25 | O12 | H35 | 115.2° | 120.0° |
| C36 | C25 | C11 | H35 | 124.7° | 120.0° |
| C36 | C25 | C11 | C24 | 96.3° | 54.3° |
| C36 | C25 | C11 | C30 | 155.5° | 65.7° |
| C25 | C36 | N6 | H79 | 6.7° | 4.4° |
| C36 | C25 | O12 | H85 | 25.3° | 60.0° |
| C31 | C11 | C25 | O12 | 82.2° | 54.2° |
| C31 | C11 | C25 | C24 | 130.2° | 120.0° |
| C31 | C11 | C25 | C30 | 121.7° | 120.1° |
| C31 | C11 | C24 | C30 | 114.5° | 120.0° |
| C31 | C11 | C24 | O11 | 49.1° | 60.0° |
| C31 | C11 | C24 | H33 | 170.6° | 180.0° |
| C31 | C11 | C24 | H34 | 72.4° | 60.0° |
| C31 | C11 | C25 | H35 | 158.6° | 65.7° |
| C31 | C11 | C30 | H44 | 180.0° | 53.6° |
| C31 | C11 | C30 | H45 | 60.0° | 66.4° |
| C31 | C11 | C30 | H46 | 60.0° | 173.6° |
| C11 | C31 | H47 | H48 | 120.0° | 120.0° |
| C11 | C31 | H47 | H49 | 120.0° | 120.0° |
| C11 | C31 | H48 | H49 | 120.0° | 120.0° |
| O12 | C25 | C11 | H35 | 119.2° | 119.9° |
| O12 | C25 | C11 | C24 | 147.6° | 65.8° |
| O12 | C25 | C11 | C30 | 39.5° | 174.3° |
| C25 | C11 | C24 | C30 | 115.6° | 120.0° |
| C25 | C11 | C24 | O11 | 179.0° | 180.0° |
| C25 | C11 | C24 | H33 | 59.5° | 60.0° |
| C25 | C11 | C24 | H34 | 57.5° | 60.0° |
| C25 | C11 | C30 | H44 | 53.4° | 173.6° |
| C25 | C11 | C30 | H45 | 173.4° | 53.6° |
| C25 | C11 | C30 | H46 | 66.6° | 66.4° |
| C25 | C11 | C31 | H47 | 180.0° | 56.6° |
| C25 | C11 | C31 | H48 | 60.0° | 63.5° |
| C25 | C11 | C31 | H49 | 60.0° | 176.6° |
| C11 | C25 | O12 | H85 | 102.0° | 60.1° |
| C11 | C24 | O11 | H33 | 121.5° | 120.0° |
| C11 | C24 | O11 | H34 | 121.5° | 120.0° |
| C11 | C24 | O11 | P3 | 160.5° | 180.0° |
| C11 | C24 | H33 | H34 | 115.0° | 120.0° |
| C24 | C11 | C25 | H35 | 28.4° | 174.3° |
| C24 | C11 | C30 | H44 | 58.8° | 66.4° |
| C24 | C11 | C30 | H45 | 61.3° | 173.6° |
| C24 | C11 | C30 | H46 | 178.7° | 53.6° |
| C24 | C11 | C31 | H47 | 54.6° | 63.4° |
| C24 | C11 | C31 | H48 | 65.4° | 176.6° |
| C24 | C11 | C31 | H49 | 174.6° | 56.6° |
| C30 | C11 | C24 | O11 | 65.4° | 60.0° |
| C30 | C11 | C24 | H33 | 56.2° | 60.0° |
| C30 | C11 | C24 | H34 | 173.1° | 180.0° |
| C30 | C11 | C25 | H35 | 79.8° | 54.3° |
| C11 | C30 | H44 | H45 | 120.0° | 120.0° |
| C11 | C30 | H44 | H46 | 120.0° | 120.1° |
| C11 | C30 | H45 | H46 | 120.0° | 120.1° |
| C30 | C11 | C31 | H47 | 56.1° | 176.6° |
| C30 | C11 | C31 | H48 | 176.1° | 56.6° |
| C30 | C11 | C31 | H49 | 63.9° | 63.4° |
| O13 | P3 | O11 | C24 | 63.5° | 55.0° |
| O13 | P3 | O11 | O8 | 89.1° | 120.0° |
| O13 | P3 | O11 | O14 | 132.2° | 120.0° |
| O13 | P3 | O8 | O14 | 147.3° | 120.0° |
| O13 | P3 | O8 | P2 | 141.8° | 40.0° |
| O13 | P3 | O14 | H86 | 0.0° | 179.9° |
| C24 | O11 | P3 | O8 | 152.6° | 175.0° |
| C24 | O11 | P3 | O14 | 68.7° | 65.0° |
| O11 | C24 | H33 | H34 | 115.0° | 120.1° |
| O11 | P3 | O8 | O14 | 122.3° | 120.0° |
| O11 | P3 | O8 | P2 | 127.8° | 160.0° |
| P3 | O11 | C24 | H33 | 38.9° | 60.1° |
| P3 | O11 | C24 | H34 | 78.0° | 60.0° |
| O11 | P3 | O14 | H86 | 92.4° | 59.9° |
| P3 | O8 | P2 | O9 | 93.8° | 45.0° |
| P3 | O8 | P2 | O4 | 165.5° | 165.0° |
| P3 | O8 | P2 | O10 | 24.4° | 75.0° |
| O8 | P3 | O14 | H86 | 133.2° | 60.1° |
| O14 | P3 | O8 | P2 | 5.5° | 80.0° |
| O8 | P2 | O9 | O4 | 124.8° | 120.0° |
| O8 | P2 | O9 | O10 | 112.1° | 120.1° |
| O8 | P2 | O4 | O10 | 135.0° | 120.0° |
| O8 | P2 | O4 | C10 | 102.5° | 175.0° |
| O8 | P2 | O10 | H84 | 113.3° | 60.0° |
| O9 | P2 | O4 | O10 | 116.2° | 120.0° |
| O9 | P2 | O4 | C10 | 148.7° | 55.0° |
| O9 | P2 | O10 | H84 | 0.0° | 180.0° |
| P2 | O4 | C10 | C9 | 83.0° | 180.0° |
| P2 | O4 | C10 | H7 | 156.0° | 59.9° |
| P2 | O4 | C10 | H8 | 38.0° | 60.1° |
| O4 | P2 | O10 | H84 | 104.1° | 60.0° |
| O10 | P2 | O4 | C10 | 32.5° | 65.0° |
| O4 | C10 | C9 | H7 | 121.0° | 120.0° |
| O4 | C10 | C9 | H8 | 121.0° | 119.9° |
| O4 | C10 | C9 | O3 | 156.6° | 66.4° |
| O4 | C10 | C9 | C8 | 93.6° | 175.7° |
| O4 | C10 | C9 | H6 | 30.6° | 54.6° |
| O4 | C10 | H7 | H8 | 116.9° | 120.0° |
| C10 | C9 | O3 | C8 | 117.6° | 119.5° |
| C10 | C9 | O3 | H6 | 124.3° | 121.1° |
| C10 | C9 | C8 | H6 | 124.0° | 121.2° |
| C10 | C9 | O3 | C5 | 173.5° | 145.9° |
| C10 | C9 | C8 | O2 | 76.8° | 119.8° |
| C10 | C9 | C8 | C7 | 161.4° | 121.5° |
| C10 | C9 | C8 | H5 | 45.4° | 2.8° |
| C9 | C10 | H7 | H8 | 116.9° | 120.0° |
| O3 | C9 | C8 | H6 | 119.8° | 119.4° |
| O3 | C9 | C8 | O2 | 167.0° | 120.7° |
| O3 | C9 | C8 | C7 | 45.2° | 2.0° |
| C9 | O3 | C5 | C7 | 46.3° | 40.0° |
| C9 | O3 | C5 | N5 | 169.6° | 158.6° |
| C9 | O3 | C5 | H2 | 68.0° | 78.6° |
| O3 | C9 | C8 | H5 | 70.8° | 116.6° |
| O3 | C9 | C10 | H7 | 35.6° | 173.6° |
| O3 | C9 | C10 | H8 | 82.4° | 53.5° |
| C8 | C9 | O3 | C5 | 55.8° | 26.5° |
| C9 | C8 | O2 | C7 | 116.6° | 114.8° |
| C9 | C8 | O2 | H5 | 121.9° | 122.6° |
| C9 | C8 | O2 | P1 | 161.4° | 123.7° |
| C9 | C8 | C7 | H5 | 116.0° | 118.6° |
| C9 | C8 | C7 | C5 | 15.6° | 20.9° |
| C9 | C8 | C7 | O1 | 105.4° | 139.1° |
| C9 | C8 | C7 | H4 | 131.4° | 97.3° |
| C8 | C9 | C10 | H7 | 145.4° | 55.7° |
| C8 | C9 | C10 | H8 | 27.4° | 64.4° |
| O3 | C5 | C7 | C8 | 16.1° | 37.0° |
| O3 | C5 | C7 | N5 | 127.8° | 118.5° |
| O3 | C5 | C7 | H2 | 114.7° | 118.7° |
| O3 | C5 | N5 | H2 | 123.1° | 123.0° |
| O3 | C5 | C7 | O1 | 137.1° | 155.2° |
| O3 | C5 | N5 | C4 | 58.1° | 19.1° |
| O3 | C5 | N5 | C1 | 122.1° | 161.3° |
| O3 | C5 | C7 | H4 | 99.9° | 81.2° |
| C5 | O3 | C9 | H6 | 62.2° | 92.9° |
| O2 | C8 | C7 | H5 | 121.8° | 122.5° |
| C8 | O2 | P1 | O7 | 159.9° | 54.9° |
| C8 | O2 | P1 | O6 | 34.9° | 175.0° |
| C8 | O2 | P1 | O5 | 72.9° | 65.0° |
| O2 | C8 | C7 | C5 | 137.9° | 97.9° |
| O2 | C8 | C7 | O1 | 16.8° | 20.3° |
| O2 | C8 | C7 | H4 | 106.3° | 143.8° |
| O2 | C8 | C9 | H6 | 47.2° | 1.4° |
| P1 | O2 | C8 | C7 | 44.8° | 121.4° |
| O2 | P1 | O7 | O6 | 119.9° | 120.1° |
| O2 | P1 | O7 | O5 | 120.2° | 120.0° |
| O2 | P1 | O6 | O5 | 108.2° | 120.0° |
| P1 | O2 | C8 | H5 | 76.7° | 1.1° |
| O2 | P1 | O5 | H82 | 125.3° | 60.0° |
| O2 | P1 | O6 | H83 | 124.7° | 180.0° |
| C8 | C7 | C5 | O1 | 120.9° | 118.2° |
| C8 | C7 | C5 | H4 | 116.0° | 118.3° |
| C8 | C7 | C5 | N5 | 143.9° | 155.5° |
| C8 | C7 | O1 | H4 | 122.9° | 123.7° |
| C8 | C7 | C5 | H2 | 98.5° | 81.6° |
| C7 | C8 | C9 | H6 | 74.6° | 117.4° |
| C8 | C7 | O1 | H81 | 180.0° | 174.1° |
| O7 | P1 | O6 | O5 | 127.1° | 120.0° |
| O7 | P1 | O5 | H82 | 0.0° | 180.0° |
| O7 | P1 | O6 | H83 | 0.0° | 59.9° |
| O6 | P1 | O5 | H82 | 125.6° | 60.0° |
| O5 | P1 | O6 | H83 | 127.1° | 60.0° |
| C7 | C5 | N5 | H2 | 118.1° | 122.9° |
| C5 | C7 | O1 | H4 | 122.6° | 123.6° |
| C7 | C5 | N5 | C4 | 176.9° | 95.0° |
| C7 | C5 | N5 | C1 | 3.3° | 84.6° |
| C5 | C7 | C8 | H5 | 100.3° | 139.5° |
| C5 | C7 | O1 | H81 | 65.5° | 61.4° |
| N5 | C5 | C7 | O1 | 95.2° | 86.3° |
| C5 | N5 | C4 | C1 | 179.8° | 179.6° |
| C5 | N5 | C4 | N4 | 180.0° | 180.0° |
| C5 | N5 | C1 | C2 | 179.1° | 180.0° |
| C5 | N5 | C1 | N2 | 0.0° | 0.3° |
| C5 | N5 | C4 | H1 | 0.0° | 0.0° |
| N5 | C5 | C7 | H4 | 27.9° | 37.3° |
| O1 | C7 | C5 | H2 | 22.4° | 36.6° |
| O1 | C7 | C8 | H5 | 138.6° | 102.2° |
| N5 | C4 | N4 | H1 | 180.0° | 179.9° |
| N5 | C4 | N4 | C2 | 0.8° | 0.3° |
| C4 | N5 | C1 | C2 | 1.1° | 0.3° |
| C4 | N5 | C1 | N2 | 179.7° | 179.9° |
| C4 | N5 | C5 | H2 | 65.0° | 142.1° |
| N4 | C4 | N5 | C1 | 0.2° | 0.4° |
| C4 | N4 | C2 | C1 | 1.4° | 0.1° |
| C4 | N4 | C2 | C3 | 178.8° | 179.9° |
| N5 | C1 | C2 | N4 | 1.6° | 0.2° |
| N5 | C1 | C2 | N2 | 179.3° | 179.8° |
| N5 | C1 | C2 | C3 | 178.6° | 179.7° |
| N5 | C1 | N2 | C6 | 178.8° | 179.7° |
| C1 | N5 | C4 | H1 | 179.8° | 179.7° |
| C1 | N5 | C5 | H2 | 114.8° | 38.3° |
| N4 | C2 | C1 | C3 | 179.8° | 179.9° |
| N4 | C2 | C1 | N2 | 179.1° | 180.0° |
| N4 | C2 | C3 | N3 | 0.3° | 0.1° |
| N4 | C2 | C3 | N1 | 178.6° | 179.9° |
| C2 | N4 | C4 | H1 | 179.2° | 179.8° |
| C2 | C1 | N2 | C6 | 0.3° | 0.1° |
| C1 | C2 | C3 | N3 | 179.5° | 180.0° |
| C1 | C2 | C3 | N1 | 1.1° | 0.0° |
| N2 | C1 | C2 | C3 | 0.7° | 0.1° |
| C1 | N2 | C6 | N1 | 0.4° | 0.0° |
| C1 | N2 | C6 | H3 | 179.7° | 179.9° |
| C2 | C3 | N3 | N1 | 178.4° | 180.0° |
| C2 | C3 | N1 | C6 | 1.1° | 0.0° |
| C2 | C3 | N3 | H77 | 178.4° | 0.1° |
| C2 | C3 | N3 | H78 | 58.4° | 180.0° |
| N2 | C6 | N1 | C3 | 0.7° | 0.0° |
| N2 | C6 | N1 | H3 | 180.0° | 179.9° |
| N3 | C3 | N1 | C6 | 179.4° | 180.0° |
| C3 | N3 | H77 | H78 | 120.0° | 179.9° |
| C3 | N1 | C6 | H3 | 179.3° | 180.0° |
| N1 | C3 | N3 | H77 | 0.0° | 179.9° |
| N1 | C3 | N3 | H78 | 120.0° | 0.0° |
| H2 | C5 | C7 | H4 | 145.5° | 160.1° |
| H4 | C7 | C8 | H5 | 15.5° | 21.3° |
| H4 | C7 | O1 | H81 | 57.1° | 62.2° |
| H5 | C8 | C9 | H6 | 169.4° | 124.0° |
| H6 | C9 | C10 | H7 | 90.4° | 65.4° |
| H6 | C9 | C10 | H8 | 151.6° | 174.6° |
| H9 | C12 | C13 | H11 | 127.9° | 60.0° |
| H9 | C12 | C13 | H12 | 114.0° | 180.0° |
| H9 | C12 | C14 | H13 | 122.6° | 180.0° |
| H9 | C12 | C14 | H14 | 119.5° | 60.0° |
| H10 | C12 | C13 | H11 | 10.2° | 179.9° |
| H10 | C12 | C13 | H12 | 128.3° | 60.0° |
| H10 | C12 | C14 | H13 | 4.9° | 60.0° |
| H10 | C12 | C14 | H14 | 122.8° | 180.0° |
| H11 | C13 | C15 | H15 | 99.7° | 180.0° |
| H11 | C13 | C15 | H16 | 143.1° | 60.0° |
| H12 | C13 | C15 | H15 | 18.4° | 60.0° |
| H12 | C13 | C15 | H16 | 98.8° | 180.0° |
| H13 | C14 | C16 | H17 | 130.1° | 180.0° |
| H13 | C14 | C16 | H18 | 110.3° | 60.0° |
| H14 | C14 | C16 | H17 | 12.2° | 59.9° |
| H14 | C14 | C16 | H18 | 131.8° | 180.0° |
| H15 | C15 | C17 | H19 | 151.8° | 179.9° |
| H15 | C15 | C17 | H20 | 34.8° | 60.0° |
| H16 | C15 | C17 | H19 | 91.1° | 60.0° |
| H16 | C15 | C17 | H20 | 151.9° | 179.9° |
| H17 | C16 | C18 | H21 | 168.8° | 179.9° |
| H17 | C16 | C18 | H22 | 72.9° | 60.0° |
| H18 | C16 | C18 | H21 | 49.2° | 60.0° |
| H18 | C16 | C18 | H22 | 167.5° | 179.9° |
| H19 | C17 | C19 | H23 | 88.3° | 180.0° |
| H19 | C17 | C19 | H24 | 31.1° | 60.0° |
| H20 | C17 | C19 | H23 | 154.7° | 60.0° |
| H20 | C17 | C19 | H24 | 85.9° | 180.0° |
| H21 | C18 | C20 | H25 | 160.3° | 180.0° |
| H21 | C18 | C20 | H26 | 39.7° | 60.0° |
| H22 | C18 | C20 | H25 | 81.4° | 60.0° |
| H22 | C18 | C20 | H26 | 158.0° | 180.0° |
| H23 | C19 | C21 | H27 | 146.5° | 180.0° |
| H23 | C19 | C21 | H28 | 26.9° | 60.0° |
| H24 | C19 | C21 | H27 | 94.1° | 60.0° |
| H24 | C19 | C21 | H28 | 146.3° | 180.0° |
| H25 | C20 | C22 | H29 | 177.9° | 180.0° |
| H25 | C20 | C22 | H30 | 63.7° | 60.0° |
| H26 | C20 | C22 | H29 | 57.3° | 60.0° |
| H26 | C20 | C22 | H30 | 175.7° | 180.0° |
| H27 | C21 | C23 | H31 | 178.2° | 180.0° |
| H27 | C21 | C23 | H32 | 58.5° | 59.9° |
| H28 | C21 | C23 | H31 | 62.2° | 60.0° |
| H28 | C21 | C23 | H32 | 178.2° | 180.0° |
| H29 | C22 | C26 | H36 | 165.8° | 180.0° |
| H29 | C22 | C26 | H37 | 71.6° | 60.0° |
| H30 | C22 | C26 | H36 | 47.4° | 60.0° |
| H30 | C22 | C26 | H37 | 170.0° | 180.0° |
| H31 | C23 | C27 | H38 | 160.9° | 180.0° |
| H31 | C23 | C27 | H39 | 42.6° | 60.0° |
| H32 | C23 | C27 | H38 | 79.3° | 60.0° |
| H32 | C23 | C27 | H39 | 162.4° | 180.0° |
| H35 | C25 | O12 | H85 | 140.5° | 180.0° |
| H36 | C26 | C28 | H40 | 178.0° | 180.0° |
| H36 | C26 | C28 | H41 | 61.2° | 59.9° |
| H37 | C26 | C28 | H40 | 55.5° | 59.9° |
| H37 | C26 | C28 | H41 | 176.2° | 180.0° |
| H38 | C27 | C29 | H42 | 162.6° | 179.9° |
| H38 | C27 | C29 | H43 | 78.1° | 59.9° |
| H39 | C27 | C29 | H42 | 44.3° | 60.0° |
| H39 | C27 | C29 | H43 | 163.6° | 180.0° |
| H40 | C28 | C32 | H50 | 158.9° | 180.0° |
| H40 | C28 | C32 | H51 | 80.8° | 60.0° |
| H41 | C28 | C32 | H50 | 38.2° | 60.0° |
| H41 | C28 | C32 | H51 | 158.5° | 180.0° |
| H42 | C29 | C33 | H52 | 155.4° | 180.0° |
| H42 | C29 | C33 | H53 | 37.6° | 60.0° |
| H43 | C29 | C33 | H52 | 85.4° | 60.1° |
| H43 | C29 | C33 | H53 | 156.9° | 180.0° |
| H44 | C30 | H45 | H46 | 120.0° | 119.9° |
| H47 | C31 | H48 | H49 | 120.0° | 120.0° |
| H50 | C32 | C34 | H54 | 170.5° | 180.0° |
| H50 | C32 | C34 | H55 | 69.6° | 60.1° |
| H51 | C32 | C34 | H54 | 50.2° | 60.0° |
| H51 | C32 | C34 | H55 | 170.1° | NaN° |
| H52 | C33 | C35 | H56 | 89.4° | 180.0° |
| H52 | C33 | C35 | H57 | 28.7° | 60.0° |
| H53 | C33 | C35 | H56 | 152.9° | 60.0° |
| H53 | C33 | C35 | H57 | 89.0° | 180.0° |
| H54 | C34 | C37 | H58 | 145.3° | 179.9° |
| H54 | C34 | C37 | H59 | 25.5° | 60.0° |
| H55 | C34 | C37 | H58 | 94.9° | 60.0° |
| H55 | C34 | C37 | H59 | 145.4° | 180.0° |
| H56 | C35 | C38 | H60 | 74.6° | 180.0° |
| H56 | C35 | C38 | H61 | 42.6° | 60.0° |
| H57 | C35 | C38 | H60 | 167.3° | 60.0° |
| H57 | C35 | C38 | H61 | 75.6° | 179.9° |
| H58 | C37 | C39 | H62 | 140.9° | 180.0° |
| H58 | C37 | C39 | H63 | 100.6° | 60.0° |
| H59 | C37 | C39 | H62 | 21.1° | 60.0° |
| H59 | C37 | C39 | H63 | 139.7° | 180.0° |
| H60 | C38 | C40 | H64 | 119.4° | 180.0° |
| H60 | C38 | C40 | H65 | 2.8° | 59.9° |
| H61 | C38 | C40 | H64 | 123.5° | 60.0° |
| H61 | C38 | C40 | H65 | 120.0° | 180.0° |
| H62 | C39 | C42 | H68 | 59.3° | 180.0° |
| H62 | C39 | C42 | H69 | 60.8° | 60.0° |
| H62 | C39 | C42 | H70 | 179.3° | 60.0° |
| H63 | C39 | C42 | H68 | 59.3° | 60.0° |
| H63 | C39 | C42 | H69 | 179.3° | 180.0° |
| H63 | C39 | C42 | H70 | 60.8° | 60.0° |
| H66 | C41 | C43 | H71 | 157.2° | 60.0° |
| H66 | C41 | C43 | H72 | 85.0° | 179.9° |
| H66 | C41 | N6 | H79 | 138.6° | 120.0° |
| H67 | C41 | C43 | H71 | 36.4° | 179.9° |
| H67 | C41 | C43 | H72 | 154.2° | 60.0° |
| H67 | C41 | N6 | H79 | 100.6° | 120.0° |
| H68 | C42 | H69 | H70 | 120.0° | 120.1° |
| H73 | C46 | C47 | H75 | 126.5° | 60.0° |
| H73 | C46 | C47 | H76 | 114.1° | NaN° |
| H74 | C46 | C47 | H75 | 114.4° | 180.0° |
| H74 | C46 | C47 | H76 | 5.0° | 60.0° |
| H75 | C47 | N7 | H80 | 176.5° | 120.0° |
| H76 | C47 | N7 | H80 | 64.1° | 119.9° |
