PRD_002316
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C9 | sing | 1.53Å | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.51Å | 1.39Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | O1 | doub | 1.21Å | 1.23Å | |
| N2 | C11 | sing | 1.46Å | 1.47Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.39Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | N4 | sing | 1.47Å | 1.47Å | |
| C24 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C22 | sing | 1.35Å | 1.37Å | |
| N3 | C21 | sing | 1.49Å | 1.48Å | |
| C22 | O4 | doub | 1.21Å | 1.23Å | |
| C22 | C21 | sing | 1.51Å | 1.43Å | |
| C21 | C25 | sing | 1.53Å | 1.57Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.54Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C20 | C32 | sing | 1.50Å | 1.39Å | |
| C20 | O3 | doub | 1.21Å | 1.23Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | N5 | sing | 1.46Å | 1.47Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| N6 | C33 | sing | 1.47Å | 1.48Å | |
| N6 | H46 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.50Å | 1.39Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | O5 | doub | 1.21Å | 1.23Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H53 | sing | 1.09Å | 1.10Å | |
| C38 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| N7 | C39 | sing | 1.49Å | 1.47Å | |
| N7 | H57 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.39Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C40 | O6 | doub | 1.21Å | 1.23Å | |
| C41 | H59 | sing | 1.09Å | 1.10Å | |
| C41 | H60 | sing | 1.09Å | 1.10Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| N8 | C42 | sing | 1.47Å | 1.50Å | |
| N8 | C46 | sing | 1.46Å | 1.50Å | |
| C42 | C43 | sing | 1.50Å | 1.40Å | |
| C42 | C44 | sing | 1.53Å | 1.52Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| C43 | O7 | doub | 1.21Å | 1.23Å | |
| C44 | C45 | sing | 1.54Å | 1.51Å | |
| C44 | H63 | sing | 1.09Å | 1.10Å | |
| C44 | H64 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | H65 | sing | 1.09Å | 1.10Å | |
| C45 | H66 | sing | 1.09Å | 1.10Å | |
| C46 | H67 | sing | 1.09Å | 1.10Å | |
| C46 | H68 | sing | 1.09Å | 1.10Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C12 | N5 | sing | 1.35Å | 1.34Å | |
| C20 | N6 | sing | 1.36Å | 1.40Å | |
| N3 | C43 | sing | 1.36Å | 1.39Å | |
| C34 | N7 | sing | 1.36Å | 1.39Å | |
| C40 | N8 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 111.3° | 109.5° |
| N1 | C1 | C9 | 111.0° | 109.5° |
| N1 | C1 | H3 | 108.7° | 109.4° |
| H1 | N1 | H2 | 109.4° | 111.0° |
| C2 | C1 | C9 | 110.0° | 109.5° |
| C2 | C1 | H3 | 107.9° | 109.5° |
| C1 | C2 | C3 | 108.7° | 109.4° |
| C1 | C2 | H4 | 109.6° | 109.5° |
| C1 | C2 | H5 | 109.7° | 109.5° |
| C9 | C1 | H3 | 107.9° | 109.5° |
| C1 | C9 | C10 | 109.1° | 109.5° |
| C1 | C9 | H11 | 109.5° | 109.4° |
| C1 | C9 | H12 | 109.5° | 109.4° |
| C3 | C2 | H4 | 109.7° | 109.5° |
| C3 | C2 | H5 | 109.6° | 109.5° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C2 | C3 | C8 | 119.7° | 120.0° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| C4 | C3 | C8 | 120.4° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H6 | 120.1° | 120.0° |
| C3 | C8 | C7 | 119.9° | 120.0° |
| C3 | C8 | H10 | 120.1° | 120.0° |
| C5 | C4 | H6 | 120.1° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C4 | C5 | H7 | 120.1° | 120.0° |
| C6 | C5 | H7 | 120.2° | 120.0° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C5 | C6 | H8 | 119.6° | 120.0° |
| C7 | C6 | H8 | 119.6° | 120.0° |
| C6 | C7 | C8 | 119.5° | 120.1° |
| C6 | C7 | H9 | 120.2° | 119.9° |
| C8 | C7 | H9 | 120.2° | 120.0° |
| C7 | C8 | H10 | 120.0° | 120.0° |
| C10 | C9 | H11 | 109.5° | 109.5° |
| C10 | C9 | H12 | 109.6° | 109.5° |
| C9 | C10 | O1 | 121.0° | 120.0° |
| C9 | C10 | N2 | 115.1° | 120.0° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| O1 | C10 | N2 | 124.0° | 120.0° |
| C11 | N2 | H13 | 119.1° | 120.0° |
| N2 | C11 | C12 | 109.6° | 109.5° |
| N2 | C11 | C13 | 110.6° | 109.4° |
| N2 | C11 | H14 | 110.6° | 109.4° |
| C11 | N2 | C10 | 121.9° | 120.0° |
| H13 | N2 | C10 | 119.1° | 120.0° |
| C12 | C11 | C13 | 106.5° | 109.5° |
| C12 | C11 | H14 | 109.8° | 109.5° |
| C11 | C12 | O2 | 121.3° | 120.0° |
| C11 | C12 | N5 | 114.5° | 120.0° |
| C13 | C11 | H14 | 109.7° | 109.5° |
| C11 | C13 | C14 | 112.2° | 109.5° |
| C11 | C13 | H15 | 108.8° | 109.5° |
| C11 | C13 | H16 | 108.8° | 109.5° |
| O2 | C12 | N5 | 124.2° | 120.0° |
| C14 | C13 | H15 | 108.8° | 109.5° |
| C14 | C13 | H16 | 108.8° | 109.4° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C13 | C14 | C16 | 120.4° | 120.0° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| C15 | C14 | C16 | 120.1° | 120.0° |
| C14 | C15 | C17 | 120.1° | 120.0° |
| C14 | C15 | H17 | 120.0° | 120.0° |
| C14 | C16 | C18 | 119.8° | 120.0° |
| C14 | C16 | H18 | 120.1° | 120.0° |
| C17 | C15 | H17 | 120.0° | 120.0° |
| C15 | C17 | C19 | 119.9° | 120.0° |
| C15 | C17 | H19 | 120.1° | 120.0° |
| C18 | C16 | H18 | 120.1° | 120.0° |
| C16 | C18 | C19 | 120.0° | 120.0° |
| C16 | C18 | H20 | 120.0° | 120.0° |
| C19 | C17 | H19 | 120.1° | 120.0° |
| C17 | C19 | C18 | 120.1° | 120.0° |
| C17 | C19 | H21 | 120.0° | 120.0° |
| C19 | C18 | H20 | 120.0° | 120.0° |
| C18 | C19 | H21 | 119.9° | 120.0° |
| C23 | N4 | C24 | 118.6° | 120.0° |
| C23 | N4 | C22 | 116.3° | 120.0° |
| N4 | C23 | H24 | 109.5° | 109.5° |
| N4 | C23 | H25 | 109.5° | 109.4° |
| N4 | C23 | H26 | 109.5° | 109.4° |
| C24 | N4 | C22 | 125.1° | 120.0° |
| N4 | C24 | H27 | 109.5° | 109.5° |
| N4 | C24 | H28 | 109.5° | 109.5° |
| N4 | C24 | H29 | 109.4° | 109.5° |
| N4 | C22 | O4 | 120.1° | 120.0° |
| N4 | C22 | C21 | 123.0° | 120.0° |
| N3 | C21 | C22 | 110.7° | 109.6° |
| N3 | C21 | C25 | 116.5° | 108.6° |
| C21 | N3 | H22 | 115.1° | 122.1° |
| N3 | C21 | H23 | 103.6° | 109.7° |
| C21 | N3 | C43 | 129.7° | 115.9° |
| O4 | C22 | C21 | 116.7° | 120.0° |
| C22 | C21 | C25 | 117.1° | 109.6° |
| C22 | C21 | H23 | 104.1° | 109.7° |
| C21 | C25 | C26 | 115.4° | 109.8° |
| C25 | C21 | H23 | 102.8° | 109.6° |
| C21 | C25 | H30 | 108.0° | 109.4° |
| C21 | C25 | H31 | 108.0° | 109.4° |
| C25 | C26 | C27 | 110.2° | 110.8° |
| C26 | C25 | H30 | 108.0° | 109.4° |
| C26 | C25 | H31 | 107.9° | 109.5° |
| C25 | C26 | H32 | 109.3° | 109.2° |
| C25 | C26 | H33 | 109.3° | 109.2° |
| C26 | C27 | C28 | 110.7° | 109.6° |
| C27 | C26 | H32 | 109.3° | 109.3° |
| C27 | C26 | H33 | 109.3° | 109.2° |
| C26 | C27 | H34 | 109.2° | 109.5° |
| C26 | C27 | H35 | 109.2° | 109.4° |
| C30 | C29 | C28 | 110.7° | 109.9° |
| C29 | C30 | C31 | 111.6° | 109.9° |
| C30 | C29 | H38 | 109.2° | 109.5° |
| C30 | C29 | H39 | 109.2° | 109.4° |
| C29 | C30 | H40 | 108.9° | 109.4° |
| C29 | C30 | H41 | 108.9° | 109.4° |
| C29 | C28 | C27 | 109.5° | 109.7° |
| C29 | C28 | H36 | 109.5° | 109.4° |
| C29 | C28 | H37 | 109.5° | 109.4° |
| C28 | C29 | H38 | 109.2° | 109.2° |
| C28 | C29 | H39 | 109.2° | 109.4° |
| C30 | C31 | C32 | 108.1° | 108.8° |
| C31 | C30 | H40 | 108.9° | 109.5° |
| C31 | C30 | H41 | 108.9° | 109.2° |
| C30 | C31 | H42 | 109.8° | 109.6° |
| C30 | C31 | H43 | 109.8° | 109.5° |
| C28 | C27 | H34 | 109.1° | 109.4° |
| C28 | C27 | H35 | 109.2° | 109.4° |
| C27 | C28 | H36 | 109.5° | 109.4° |
| C27 | C28 | H37 | 109.5° | 109.5° |
| C32 | C20 | O3 | 120.7° | 120.5° |
| C20 | C32 | C31 | 110.0° | 109.3° |
| C20 | C32 | N5 | 106.3° | 109.5° |
| C20 | C32 | H44 | 111.0° | 109.5° |
| C32 | C20 | N6 | 120.6° | 119.1° |
| O3 | C20 | N6 | 118.8° | 120.5° |
| C31 | C32 | N5 | 110.5° | 109.5° |
| C32 | C31 | H42 | 109.8° | 109.8° |
| C32 | C31 | H43 | 109.8° | 109.6° |
| C31 | C32 | H44 | 109.1° | 109.5° |
| N5 | C32 | H44 | 109.9° | 109.5° |
| C32 | N5 | H45 | 118.9° | 120.0° |
| C32 | N5 | C12 | 122.3° | 120.0° |
| H22 | N3 | C43 | 115.2° | 122.0° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H26 | 109.4° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H27 | C24 | H29 | 109.5° | 109.5° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.4° |
| H32 | C26 | H33 | 109.5° | 109.1° |
| H34 | C27 | H35 | 109.5° | 109.4° |
| H36 | C28 | H37 | 109.5° | 109.4° |
| H38 | C29 | H39 | 109.5° | 109.3° |
| H40 | C30 | H41 | 109.5° | 109.3° |
| H42 | C31 | H43 | 109.5° | 109.6° |
| H45 | N5 | C12 | 118.9° | 120.0° |
| C33 | N6 | H46 | 120.9° | 121.9° |
| N6 | C33 | C34 | 111.1° | 109.9° |
| N6 | C33 | C35 | 111.1° | 109.4° |
| N6 | C33 | H47 | 108.9° | 109.4° |
| C33 | N6 | C20 | 118.1° | 116.2° |
| H46 | N6 | C20 | 120.9° | 121.9° |
| C34 | C33 | C35 | 107.3° | 109.4° |
| C34 | C33 | H47 | 110.2° | 109.4° |
| C33 | C34 | O5 | 121.4° | 119.8° |
| C33 | C34 | N7 | 119.3° | 120.3° |
| C35 | C33 | H47 | 108.3° | 109.3° |
| C33 | C35 | C36 | 111.1° | 109.5° |
| C33 | C35 | H48 | 109.1° | 109.4° |
| C33 | C35 | H49 | 109.1° | 109.5° |
| O5 | C34 | N7 | 119.2° | 119.9° |
| C36 | C35 | H48 | 109.1° | 109.5° |
| C36 | C35 | H49 | 109.0° | 109.5° |
| C35 | C36 | C37 | 109.0° | 109.5° |
| C35 | C36 | C38 | 109.5° | 109.5° |
| C35 | C36 | H50 | 109.7° | 109.5° |
| H48 | C35 | H49 | 109.5° | 109.5° |
| C37 | C36 | C38 | 109.3° | 109.5° |
| C37 | C36 | H50 | 109.7° | 109.5° |
| C36 | C37 | H51 | 109.5° | 109.5° |
| C36 | C37 | H52 | 109.5° | 109.5° |
| C36 | C37 | H53 | 109.5° | 109.5° |
| C38 | C36 | H50 | 109.7° | 109.5° |
| C36 | C38 | H54 | 109.5° | 109.5° |
| C36 | C38 | H55 | 109.5° | 109.5° |
| C36 | C38 | H56 | 109.5° | 109.5° |
| H51 | C37 | H52 | 109.5° | 109.5° |
| H51 | C37 | H53 | 109.5° | 109.4° |
| H52 | C37 | H53 | 109.4° | 109.5° |
| H54 | C38 | H55 | 109.5° | 109.5° |
| H54 | C38 | H56 | 109.5° | 109.4° |
| H55 | C38 | H56 | 109.5° | 109.4° |
| C39 | N7 | H57 | 119.0° | 122.5° |
| N7 | C39 | C40 | 110.0° | 108.4° |
| N7 | C39 | C41 | 106.8° | 109.7° |
| N7 | C39 | H58 | 110.6° | 109.6° |
| C39 | N7 | C34 | 122.1° | 114.9° |
| H57 | N7 | C34 | 119.0° | 122.6° |
| C40 | C39 | C41 | 107.5° | 109.7° |
| C40 | C39 | H58 | 112.0° | 109.7° |
| C39 | C40 | O6 | 119.3° | 120.9° |
| C39 | C40 | N8 | 121.5° | 118.1° |
| C41 | C39 | H58 | 109.8° | 109.7° |
| C39 | C41 | H59 | 109.5° | 109.5° |
| C39 | C41 | H60 | 109.5° | 109.5° |
| C39 | C41 | H61 | 109.5° | 109.5° |
| O6 | C40 | N8 | 119.0° | 120.9° |
| H59 | C41 | H60 | 109.5° | 109.5° |
| H59 | C41 | H61 | 109.4° | 109.4° |
| H60 | C41 | H61 | 109.5° | 109.4° |
| C42 | N8 | C46 | 106.8° | 109.1° |
| N8 | C42 | C43 | 105.2° | 110.4° |
| N8 | C42 | C44 | 103.8° | 107.7° |
| N8 | C42 | H62 | 112.6° | 109.2° |
| C42 | N8 | C40 | 123.9° | 126.2° |
| N8 | C46 | C45 | 101.6° | 108.7° |
| N8 | C46 | H67 | 111.4° | 109.7° |
| N8 | C46 | H68 | 111.4° | 109.7° |
| C46 | N8 | C40 | 129.3° | 124.7° |
| C43 | C42 | C44 | 108.0° | 109.9° |
| C43 | C42 | H62 | 114.2° | 111.4° |
| C42 | C43 | O7 | 120.0° | 118.8° |
| C42 | C43 | N3 | 125.3° | 122.4° |
| C44 | C42 | H62 | 112.2° | 108.2° |
| C42 | C44 | C45 | 101.1° | 105.0° |
| C42 | C44 | H63 | 111.5° | 110.3° |
| C42 | C44 | H64 | 111.5° | 110.3° |
| O7 | C43 | N3 | 114.7° | 118.8° |
| C45 | C44 | H63 | 111.5° | 110.3° |
| C45 | C44 | H64 | 111.5° | 110.3° |
| C44 | C45 | C46 | 98.8° | 103.9° |
| C44 | C45 | H65 | 112.1° | 110.5° |
| C44 | C45 | H66 | 112.1° | 110.5° |
| H63 | C44 | H64 | 109.5° | 110.3° |
| C46 | C45 | H65 | 112.0° | 110.6° |
| C46 | C45 | H66 | 112.1° | 110.6° |
| C45 | C46 | H67 | 111.4° | 109.7° |
| C45 | C46 | H68 | 111.4° | 109.6° |
| H65 | C45 | H66 | 109.5° | 110.5° |
| H67 | C46 | H68 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | C9 | 123.4° | 120.0° |
| N1 | C1 | C2 | H3 | 119.1° | 120.0° |
| N1 | C1 | C9 | H3 | 118.9° | 119.9° |
| N1 | C1 | C2 | C3 | 177.5° | 65.0° |
| N1 | C1 | C2 | H4 | 57.6° | 55.0° |
| N1 | C1 | C2 | H5 | 62.6° | 175.0° |
| N1 | C1 | C9 | C10 | 80.7° | 65.0° |
| N1 | C1 | C9 | H11 | 159.4° | 175.0° |
| N1 | C1 | C9 | H12 | 39.2° | 55.0° |
| H1 | N1 | C1 | C2 | 180.0° | 176.1° |
| H1 | N1 | C1 | C9 | 57.1° | 63.9° |
| H1 | N1 | C1 | H3 | 61.3° | 56.0° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C9 | 62.9° | 60.0° |
| H2 | N1 | C1 | H3 | 178.7° | 180.0° |
| C2 | C1 | C9 | H3 | 117.5° | 120.1° |
| C1 | C2 | C3 | H4 | 119.9° | 120.1° |
| C1 | C2 | C3 | H5 | 119.9° | 120.0° |
| C1 | C2 | H4 | H5 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 120.5° | 90.1° |
| C1 | C2 | C3 | C8 | 59.2° | 90.3° |
| C2 | C1 | C9 | C10 | 155.7° | 175.0° |
| C2 | C1 | C9 | H11 | 35.8° | 55.0° |
| C2 | C1 | C9 | H12 | 84.3° | 65.0° |
| C9 | C1 | C2 | C3 | 59.1° | 175.0° |
| C9 | C1 | C2 | H4 | 179.0° | 65.0° |
| C9 | C1 | C2 | H5 | 60.8° | 55.0° |
| C1 | C9 | C10 | H11 | 119.9° | 120.0° |
| C1 | C9 | C10 | H12 | 119.9° | 120.0° |
| C1 | C9 | H11 | H12 | 120.2° | 120.0° |
| C1 | C9 | C10 | O1 | 10.1° | 0.0° |
| C1 | C9 | C10 | N2 | 170.5° | 180.0° |
| H3 | C1 | C2 | C3 | 58.4° | 54.9° |
| H3 | C1 | C2 | H4 | 61.5° | 175.0° |
| H3 | C1 | C2 | H5 | 178.3° | 65.0° |
| H3 | C1 | C9 | C10 | 38.2° | 55.0° |
| H3 | C1 | C9 | H11 | 81.7° | 65.0° |
| H3 | C1 | C9 | H12 | 158.2° | 174.9° |
| C3 | C2 | H4 | H5 | 120.3° | 120.0° |
| C2 | C3 | C4 | C8 | 179.7° | 179.6° |
| C2 | C3 | C4 | C5 | 179.7° | 180.0° |
| C2 | C3 | C4 | H6 | 0.3° | 0.1° |
| C2 | C3 | C8 | C7 | 179.7° | 179.8° |
| C2 | C3 | C8 | H10 | 0.3° | 0.1° |
| H4 | C2 | C3 | C4 | 119.6° | 30.0° |
| H4 | C2 | C3 | C8 | 60.6° | 149.6° |
| H5 | C2 | C3 | C4 | 0.6° | 150.0° |
| H5 | C2 | C3 | C8 | 179.1° | 29.7° |
| C3 | C4 | C5 | H6 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | H7 | 179.8° | 179.9° |
| C4 | C3 | C8 | C7 | 0.1° | 0.6° |
| C4 | C3 | C8 | H10 | 179.9° | 179.7° |
| C8 | C3 | C4 | C5 | 0.0° | 0.4° |
| C8 | C3 | C4 | H6 | 180.0° | 179.7° |
| C3 | C8 | C7 | C6 | 0.1° | 0.5° |
| C3 | C8 | C7 | H10 | 180.0° | 179.7° |
| C3 | C8 | C7 | H9 | 180.0° | 179.7° |
| C4 | C5 | C6 | H7 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C4 | C5 | C6 | H8 | 179.8° | 180.0° |
| H6 | C4 | C5 | C6 | 179.8° | 180.0° |
| H6 | C4 | C5 | H7 | 0.2° | 0.0° |
| C5 | C6 | C7 | H8 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.1° |
| C5 | C6 | C7 | H9 | 179.8° | 180.0° |
| H7 | C5 | C6 | C7 | 179.7° | 180.0° |
| H7 | C5 | C6 | H8 | 0.3° | 0.0° |
| C6 | C7 | C8 | H9 | 180.0° | 179.9° |
| C6 | C7 | C8 | H10 | 179.9° | 179.8° |
| H8 | C6 | C7 | C8 | 179.8° | 179.8° |
| H8 | C6 | C7 | H9 | 0.2° | 0.0° |
| H9 | C7 | C8 | H10 | 0.0° | 0.1° |
| C10 | C9 | H11 | H12 | 120.2° | 120.0° |
| C9 | C10 | O1 | N2 | 179.4° | 180.0° |
| C9 | C10 | N2 | C11 | 179.7° | 180.0° |
| C9 | C10 | N2 | H13 | 0.3° | 0.1° |
| H11 | C9 | C10 | O1 | 109.8° | 120.0° |
| H11 | C9 | C10 | N2 | 69.6° | 60.0° |
| H12 | C9 | C10 | O1 | 130.0° | 120.0° |
| H12 | C9 | C10 | N2 | 50.5° | 60.1° |
| O1 | C10 | N2 | C11 | 0.8° | 0.0° |
| O1 | C10 | N2 | H13 | 179.2° | 179.9° |
| C11 | N2 | H13 | C10 | 180.0° | 179.9° |
| N2 | C11 | C12 | C13 | 119.7° | 120.0° |
| N2 | C11 | C12 | H14 | 121.6° | 120.0° |
| N2 | C11 | C13 | H14 | 122.2° | 119.9° |
| N2 | C11 | C12 | O2 | 23.4° | 11.0° |
| N2 | C11 | C13 | C14 | 62.8° | 65.3° |
| N2 | C11 | C13 | H15 | 57.6° | 54.7° |
| N2 | C11 | C13 | H16 | 176.8° | 174.7° |
| N2 | C11 | C12 | N5 | 158.9° | 169.0° |
| H13 | N2 | C11 | C12 | 33.7° | 24.9° |
| H13 | N2 | C11 | C13 | 83.4° | 95.1° |
| H13 | N2 | C11 | H14 | 154.8° | 144.9° |
| C12 | C11 | C13 | H14 | 118.7° | 120.0° |
| C11 | C12 | O2 | N5 | 177.5° | 180.0° |
| C12 | C11 | C13 | C14 | 178.2° | 174.7° |
| C12 | C11 | C13 | H15 | 61.4° | 65.3° |
| C12 | C11 | C13 | H16 | 57.8° | 54.7° |
| C11 | C12 | N5 | C32 | 176.5° | 175.0° |
| C11 | C12 | N5 | H45 | 3.5° | 5.1° |
| C12 | C11 | N2 | C10 | 146.3° | 155.0° |
| C13 | C11 | C12 | O2 | 96.3° | 109.0° |
| C11 | C13 | C14 | H15 | 120.4° | 120.0° |
| C11 | C13 | C14 | H16 | 120.4° | 120.0° |
| C11 | C13 | H15 | H16 | 118.7° | 120.0° |
| C11 | C13 | C14 | C15 | 101.4° | 94.5° |
| C11 | C13 | C14 | C16 | 79.4° | 85.8° |
| C13 | C11 | N2 | C10 | 96.6° | 85.0° |
| C13 | C11 | C12 | N5 | 81.4° | 71.0° |
| H14 | C11 | C12 | O2 | 145.0° | 130.9° |
| H14 | C11 | C13 | C14 | 59.4° | 54.6° |
| H14 | C11 | C13 | H15 | 179.9° | 174.7° |
| H14 | C11 | C13 | H16 | 61.0° | 65.3° |
| H14 | C11 | N2 | C10 | 25.2° | 35.0° |
| H14 | C11 | C12 | N5 | 37.3° | 49.0° |
| O2 | C12 | N5 | C32 | 1.2° | 5.0° |
| O2 | C12 | N5 | H45 | 178.9° | 175.0° |
| C14 | C13 | H15 | H16 | 118.7° | 119.9° |
| C13 | C14 | C15 | C16 | 179.2° | 179.7° |
| C13 | C14 | C15 | C17 | 179.6° | 179.9° |
| C13 | C14 | C15 | H17 | 0.4° | 0.0° |
| C13 | C14 | C16 | C18 | 179.6° | 180.0° |
| C13 | C14 | C16 | H18 | 0.4° | 0.0° |
| H15 | C13 | C14 | C15 | 19.0° | 25.5° |
| H15 | C13 | C14 | C16 | 160.2° | 154.2° |
| H16 | C13 | C14 | C15 | 138.2° | 145.5° |
| H16 | C13 | C14 | C16 | 41.0° | 34.2° |
| C14 | C15 | C17 | H17 | 180.0° | 180.0° |
| C15 | C14 | C16 | C18 | 0.4° | 0.3° |
| C15 | C14 | C16 | H18 | 179.6° | 179.7° |
| C14 | C15 | C17 | C19 | 0.2° | 0.1° |
| C14 | C15 | C17 | H19 | 179.8° | 179.9° |
| C16 | C14 | C15 | C17 | 0.5° | 0.2° |
| C16 | C14 | C15 | H17 | 179.5° | 179.7° |
| C14 | C16 | C18 | H18 | 180.0° | 180.0° |
| C14 | C16 | C18 | C19 | 0.2° | 0.0° |
| C14 | C16 | C18 | H20 | 179.8° | 180.0° |
| C15 | C17 | C19 | H19 | 180.0° | 179.9° |
| C15 | C17 | C19 | C18 | 0.0° | 0.3° |
| C15 | C17 | C19 | H21 | 180.0° | 180.0° |
| H17 | C15 | C17 | C19 | 179.7° | 180.0° |
| H17 | C15 | C17 | H19 | 0.2° | 0.1° |
| C16 | C18 | C19 | C17 | 0.0° | 0.3° |
| C16 | C18 | C19 | H20 | 180.0° | 180.0° |
| C16 | C18 | C19 | H21 | 180.0° | 180.0° |
| H18 | C16 | C18 | C19 | 179.8° | 180.0° |
| H18 | C16 | C18 | H20 | 0.2° | 0.0° |
| C17 | C19 | C18 | H21 | 180.0° | 179.7° |
| C17 | C19 | C18 | H20 | 180.0° | 179.7° |
| H19 | C17 | C19 | C18 | 180.0° | 179.8° |
| H19 | C17 | C19 | H21 | 0.0° | 0.1° |
| H20 | C18 | C19 | H21 | 0.0° | 0.0° |
| C23 | N4 | C24 | C22 | 178.6° | 180.0° |
| C23 | N4 | C22 | O4 | 2.3° | 5.4° |
| C23 | N4 | C22 | C21 | 176.9° | 174.5° |
| N4 | C23 | H24 | H25 | 120.0° | 120.0° |
| N4 | C23 | H24 | H26 | 120.0° | 119.9° |
| N4 | C23 | H25 | H26 | 120.0° | 119.9° |
| C23 | N4 | C24 | H27 | 180.0° | 85.0° |
| C23 | N4 | C24 | H28 | 60.0° | 35.0° |
| C23 | N4 | C24 | H29 | 60.0° | 155.0° |
| C24 | N4 | C22 | O4 | 179.0° | 174.6° |
| C24 | N4 | C22 | C21 | 4.4° | 5.5° |
| C24 | N4 | C23 | H24 | 180.0° | 90.0° |
| C24 | N4 | C23 | H25 | 60.0° | 30.0° |
| C24 | N4 | C23 | H26 | 60.0° | 150.0° |
| N4 | C24 | H27 | H28 | 120.0° | 120.0° |
| N4 | C24 | H27 | H29 | 120.0° | 120.0° |
| N4 | C24 | H28 | H29 | 120.0° | 120.0° |
| N4 | C22 | C21 | N3 | 48.0° | 52.3° |
| N4 | C22 | O4 | C21 | 174.9° | 179.9° |
| N4 | C22 | C21 | C25 | 88.7° | 66.8° |
| N4 | C22 | C21 | H23 | 158.7° | 172.8° |
| C22 | N4 | C23 | H24 | 1.2° | 90.0° |
| C22 | N4 | C23 | H25 | 121.2° | 150.0° |
| C22 | N4 | C23 | H26 | 118.7° | 30.0° |
| C22 | N4 | C24 | H27 | 1.4° | 95.0° |
| C22 | N4 | C24 | H28 | 118.7° | 145.0° |
| C22 | N4 | C24 | H29 | 121.4° | 24.9° |
| N3 | C21 | C22 | O4 | 126.7° | 127.6° |
| N3 | C21 | C22 | C25 | 136.7° | 119.1° |
| N3 | C21 | C22 | H23 | 110.7° | 120.5° |
| N3 | C21 | C25 | H23 | 112.4° | 119.8° |
| N3 | C21 | C25 | C26 | 48.3° | 168.7° |
| C21 | N3 | H22 | C43 | 180.0° | 179.9° |
| N3 | C21 | C25 | H30 | 72.5° | 71.2° |
| N3 | C21 | C25 | H31 | 169.2° | 48.6° |
| C21 | N3 | C43 | C42 | 4.7° | 16.3° |
| C21 | N3 | C43 | O7 | 176.4° | 163.7° |
| O4 | C22 | C21 | C25 | 96.5° | 113.3° |
| O4 | C22 | C21 | H23 | 16.0° | 7.1° |
| C22 | C21 | C25 | H23 | 113.3° | 120.5° |
| C22 | C21 | C25 | C26 | 85.9° | 71.6° |
| C22 | C21 | N3 | H22 | 53.7° | 101.7° |
| C22 | C21 | C25 | H30 | 153.2° | 48.5° |
| C22 | C21 | C25 | H31 | 34.9° | 168.3° |
| C22 | C21 | N3 | C43 | 126.3° | 78.3° |
| C21 | C25 | C26 | H30 | 120.8° | 120.1° |
| C21 | C25 | C26 | H31 | 120.9° | 120.1° |
| C21 | C25 | C26 | C27 | 172.2° | 159.2° |
| C25 | C21 | N3 | H22 | 83.3° | 18.0° |
| C21 | C25 | H30 | H31 | 117.4° | 119.8° |
| C21 | C25 | C26 | H32 | 67.7° | 38.8° |
| C21 | C25 | C26 | H33 | 52.1° | 80.5° |
| C25 | C21 | N3 | C43 | 96.7° | 161.9° |
| C25 | C26 | C27 | H32 | 120.1° | 120.4° |
| C25 | C26 | C27 | H33 | 120.1° | 120.3° |
| C25 | C26 | C27 | C28 | 66.9° | 174.1° |
| C26 | C25 | C21 | H23 | 160.8° | 48.9° |
| C26 | C25 | H30 | H31 | 117.3° | 119.9° |
| C25 | C26 | H32 | H33 | 119.7° | 119.3° |
| C25 | C26 | C27 | H34 | 53.2° | 65.9° |
| C25 | C26 | C27 | H35 | 172.9° | 54.0° |
| C26 | C27 | C28 | C29 | 59.7° | 121.5° |
| C26 | C27 | C28 | H34 | 120.2° | 120.1° |
| C26 | C27 | C28 | H35 | 120.2° | 120.0° |
| C27 | C26 | C25 | H30 | 51.3° | 80.7° |
| C27 | C26 | C25 | H31 | 66.9° | 39.1° |
| C27 | C26 | H32 | H33 | 119.7° | 119.3° |
| C26 | C27 | H34 | H35 | 119.5° | 119.9° |
| C26 | C27 | C28 | H36 | 179.7° | 1.4° |
| C26 | C27 | C28 | H37 | 60.3° | 118.5° |
| C30 | C29 | C28 | H38 | 120.2° | 120.1° |
| C30 | C29 | C28 | H39 | 120.2° | 120.2° |
| C29 | C30 | C31 | H40 | 120.3° | 120.2° |
| C29 | C30 | C31 | H41 | 120.3° | 120.1° |
| C30 | C29 | C28 | C27 | 174.0° | 144.8° |
| C29 | C30 | C31 | C32 | 121.2° | 125.9° |
| C30 | C29 | C28 | H36 | 66.0° | 24.8° |
| C30 | C29 | C28 | H37 | 54.0° | 95.1° |
| C30 | C29 | H38 | H39 | 119.4° | 119.8° |
| C29 | C30 | H40 | H41 | 119.0° | 119.9° |
| C29 | C30 | C31 | H42 | 119.0° | 114.0° |
| C29 | C30 | C31 | H43 | 1.4° | 6.2° |
| C28 | C29 | C30 | C31 | 83.3° | 142.6° |
| C29 | C28 | C27 | H36 | 120.0° | 120.0° |
| C29 | C28 | C27 | H37 | 120.0° | 120.0° |
| C29 | C28 | C27 | H34 | 179.9° | 118.4° |
| C29 | C28 | C27 | H35 | 60.5° | 1.5° |
| C29 | C28 | H36 | H37 | 120.0° | 119.9° |
| C28 | C29 | H38 | H39 | 119.5° | 119.7° |
| C28 | C29 | C30 | H40 | 156.3° | 22.4° |
| C28 | C29 | C30 | H41 | 37.0° | 97.4° |
| C30 | C31 | C32 | C20 | 59.7° | 130.6° |
| C30 | C31 | C32 | H42 | 119.8° | 119.9° |
| C30 | C31 | C32 | H43 | 119.8° | 119.7° |
| C30 | C31 | C32 | N5 | 176.7° | 10.6° |
| C31 | C30 | C29 | H38 | 156.5° | 97.4° |
| C31 | C30 | C29 | H39 | 36.8° | 22.4° |
| C31 | C30 | H40 | H41 | 119.0° | 119.6° |
| C30 | C31 | H42 | H43 | 120.7° | 120.2° |
| C30 | C31 | C32 | H44 | 62.3° | 109.4° |
| C28 | C27 | C26 | H32 | 173.0° | 53.7° |
| C28 | C27 | C26 | H33 | 53.2° | 65.6° |
| C28 | C27 | H34 | H35 | 119.4° | 119.9° |
| C27 | C28 | H36 | H37 | 120.0° | 120.0° |
| C27 | C28 | C29 | H38 | 53.8° | 95.0° |
| C27 | C28 | C29 | H39 | 65.8° | 24.7° |
| C32 | C20 | O3 | N6 | 178.6° | 179.8° |
| C20 | C32 | C31 | N5 | 117.0° | 120.0° |
| C20 | C32 | C31 | H44 | 122.0° | 120.0° |
| C20 | C32 | N5 | H44 | 120.2° | 120.1° |
| C20 | C32 | C31 | H42 | 60.1° | 109.5° |
| C20 | C32 | C31 | H43 | 179.5° | 10.9° |
| C20 | C32 | N5 | H45 | 90.0° | 61.0° |
| C32 | C20 | N6 | C33 | 179.5° | 179.8° |
| C32 | C20 | N6 | H46 | 0.5° | 0.2° |
| C20 | C32 | N5 | C12 | 90.0° | 118.9° |
| O3 | C20 | C32 | C31 | 47.7° | 3.6° |
| O3 | C20 | C32 | N5 | 72.0° | 123.5° |
| O3 | C20 | C32 | H44 | 168.6° | 116.4° |
| O3 | C20 | N6 | C33 | 0.9° | 0.0° |
| O3 | C20 | N6 | H46 | 179.1° | 180.0° |
| C31 | C32 | N5 | H44 | 120.5° | 120.0° |
| C32 | C31 | C30 | H40 | 0.8° | 5.7° |
| C32 | C31 | C30 | H41 | 118.5° | 114.0° |
| C32 | C31 | H42 | H43 | 120.6° | 120.4° |
| C31 | C32 | N5 | H45 | 29.3° | 58.8° |
| C31 | C32 | N5 | C12 | 150.7° | 121.2° |
| C31 | C32 | C20 | N6 | 133.7° | 176.6° |
| N5 | C32 | C31 | H42 | 56.9° | 130.5° |
| N5 | C32 | C31 | H43 | 63.5° | 109.2° |
| C32 | N5 | H45 | C12 | 180.0° | 179.9° |
| N5 | C32 | C20 | N6 | 106.6° | 56.7° |
| H22 | N3 | C21 | H23 | 164.7° | 137.7° |
| H22 | N3 | C43 | C42 | 175.3° | 163.8° |
| H22 | N3 | C43 | O7 | 3.6° | 16.2° |
| H23 | C21 | C25 | H30 | 39.9° | 169.0° |
| H23 | C21 | C25 | H31 | 78.4° | 71.2° |
| H23 | C21 | N3 | C43 | 15.3° | 42.2° |
| H24 | C23 | H25 | H26 | 120.0° | 120.0° |
| H27 | C24 | H28 | H29 | 120.0° | 120.0° |
| H30 | C25 | C26 | H32 | 171.4° | 158.8° |
| H30 | C25 | C26 | H33 | 68.8° | 39.6° |
| H31 | C25 | C26 | H32 | 53.2° | 81.3° |
| H31 | C25 | C26 | H33 | 173.0° | 159.4° |
| H32 | C26 | C27 | H34 | 66.9° | 173.7° |
| H32 | C26 | C27 | H35 | 52.8° | 66.3° |
| H33 | C26 | C27 | H34 | 173.4° | 54.4° |
| H33 | C26 | C27 | H35 | 67.0° | 174.4° |
| H34 | C27 | C28 | H36 | 60.1° | 121.5° |
| H34 | C27 | C28 | H37 | 59.9° | 1.6° |
| H35 | C27 | C28 | H36 | 59.5° | 118.6° |
| H35 | C27 | C28 | H37 | 179.5° | 121.5° |
| H36 | C28 | C29 | H38 | 173.8° | 144.9° |
| H36 | C28 | C29 | H39 | 54.2° | 95.4° |
| H37 | C28 | C29 | H38 | 66.2° | 25.0° |
| H37 | C28 | C29 | H39 | 174.2° | 144.7° |
| H38 | C29 | C30 | H40 | 36.1° | 142.4° |
| H38 | C29 | C30 | H41 | 83.2° | 22.6° |
| H39 | C29 | C30 | H40 | 83.5° | 97.8° |
| H39 | C29 | C30 | H41 | 157.2° | 142.4° |
| H40 | C30 | C31 | H42 | 120.6° | 125.7° |
| H40 | C30 | C31 | H43 | 118.9° | 114.1° |
| H41 | C30 | C31 | H42 | 1.3° | 6.0° |
| H41 | C30 | C31 | H43 | 121.7° | 126.2° |
| H42 | C31 | C32 | H44 | 177.9° | 10.5° |
| H43 | C31 | C32 | H44 | 57.4° | 130.8° |
| H44 | C32 | N5 | H45 | 149.8° | 178.9° |
| H44 | C32 | N5 | C12 | 30.2° | 1.2° |
| H44 | C32 | C20 | N6 | 12.9° | 63.4° |
| C33 | N6 | H46 | C20 | 180.0° | 180.0° |
| N6 | C33 | C34 | C35 | 121.5° | 120.1° |
| N6 | C33 | C34 | H47 | 120.8° | 120.1° |
| N6 | C33 | C35 | H47 | 119.5° | 119.8° |
| N6 | C33 | C34 | O5 | 142.5° | 53.6° |
| N6 | C33 | C35 | C36 | 58.2° | 64.5° |
| N6 | C33 | C35 | H48 | 62.1° | 55.5° |
| N6 | C33 | C35 | H49 | 178.4° | 175.5° |
| N6 | C33 | C34 | N7 | 40.6° | 126.5° |
| H46 | N6 | C33 | C34 | 89.8° | 67.6° |
| H46 | N6 | C33 | C35 | 29.5° | 172.3° |
| H46 | N6 | C33 | H47 | 148.7° | 52.6° |
| C34 | C33 | C35 | H47 | 118.9° | 119.8° |
| C33 | C34 | O5 | N7 | 176.8° | 180.0° |
| C34 | C33 | C35 | C36 | 179.7° | 175.1° |
| C34 | C33 | C35 | H48 | 59.5° | 65.0° |
| C34 | C33 | C35 | H49 | 60.1° | 55.0° |
| C33 | C34 | N7 | C39 | 177.3° | 179.0° |
| C33 | C34 | N7 | H57 | 2.7° | 1.0° |
| C34 | C33 | N6 | C20 | 90.2° | 112.4° |
| C35 | C33 | C34 | O5 | 95.9° | 173.7° |
| C33 | C35 | C36 | H48 | 120.3° | 119.9° |
| C33 | C35 | C36 | H49 | 120.2° | 120.0° |
| C33 | C35 | H48 | H49 | 119.3° | 120.0° |
| C33 | C35 | C36 | C37 | 178.5° | 172.5° |
| C33 | C35 | C36 | C38 | 62.0° | 67.5° |
| C33 | C35 | C36 | H50 | 58.5° | 52.5° |
| C35 | C33 | N6 | C20 | 150.5° | 7.7° |
| C35 | C33 | C34 | N7 | 80.9° | 6.4° |
| H47 | C33 | C34 | O5 | 21.7° | 66.6° |
| H47 | C33 | C35 | C36 | 61.3° | 55.3° |
| H47 | C33 | C35 | H48 | 178.4° | 175.2° |
| H47 | C33 | C35 | H49 | 58.9° | 64.8° |
| H47 | C33 | N6 | C20 | 31.3° | 127.4° |
| H47 | C33 | C34 | N7 | 161.4° | 113.4° |
| O5 | C34 | N7 | C39 | 0.4° | 0.9° |
| O5 | C34 | N7 | H57 | 179.6° | 179.0° |
| C36 | C35 | H48 | H49 | 119.2° | 120.0° |
| C35 | C36 | C37 | C38 | 119.7° | 120.0° |
| C35 | C36 | C37 | H50 | 120.1° | 120.0° |
| C35 | C36 | C38 | H50 | 120.5° | 120.0° |
| C35 | C36 | C37 | H51 | 180.0° | 60.0° |
| C35 | C36 | C37 | H52 | 60.0° | 180.0° |
| C35 | C36 | C37 | H53 | 60.0° | 60.0° |
| C35 | C36 | C38 | H54 | 180.0° | 60.0° |
| C35 | C36 | C38 | H55 | 60.0° | 180.0° |
| C35 | C36 | C38 | H56 | 60.0° | 60.0° |
| H48 | C35 | C36 | C37 | 58.3° | 52.5° |
| H48 | C35 | C36 | C38 | 177.8° | 172.5° |
| H48 | C35 | C36 | H50 | 61.8° | 67.5° |
| H49 | C35 | C36 | C37 | 61.2° | 67.5° |
| H49 | C35 | C36 | C38 | 58.3° | 52.5° |
| H49 | C35 | C36 | H50 | 178.7° | 172.5° |
| C37 | C36 | C38 | H50 | 120.2° | 120.0° |
| C36 | C37 | H51 | H52 | 120.0° | 120.0° |
| C36 | C37 | H51 | H53 | 120.0° | 120.0° |
| C36 | C37 | H52 | H53 | 120.0° | 120.0° |
| C37 | C36 | C38 | H54 | 60.7° | 180.0° |
| C37 | C36 | C38 | H55 | 59.3° | 59.9° |
| C37 | C36 | C38 | H56 | 179.3° | 60.0° |
| C38 | C36 | C37 | H51 | 60.3° | 60.0° |
| C38 | C36 | C37 | H52 | 179.7° | 60.0° |
| C38 | C36 | C37 | H53 | 59.7° | 180.0° |
| C36 | C38 | H54 | H55 | 120.0° | 120.1° |
| C36 | C38 | H54 | H56 | 120.0° | 120.0° |
| C36 | C38 | H55 | H56 | 120.0° | 120.0° |
| H50 | C36 | C37 | H51 | 59.9° | 179.9° |
| H50 | C36 | C37 | H52 | 60.1° | 60.1° |
| H50 | C36 | C37 | H53 | 179.9° | 60.0° |
| H50 | C36 | C38 | H54 | 59.5° | 60.0° |
| H50 | C36 | C38 | H55 | 179.5° | 60.1° |
| H50 | C36 | C38 | H56 | 60.5° | 180.0° |
| H51 | C37 | H52 | H53 | 120.0° | 120.0° |
| H54 | C38 | H55 | H56 | 120.0° | 119.9° |
| C39 | N7 | H57 | C34 | 180.0° | 180.0° |
| N7 | C39 | C40 | C41 | 116.0° | 119.8° |
| N7 | C39 | C40 | H58 | 123.4° | 119.7° |
| N7 | C39 | C41 | H58 | 119.9° | 120.5° |
| N7 | C39 | C40 | O6 | 20.5° | 7.5° |
| N7 | C39 | C41 | H59 | 180.0° | 82.4° |
| N7 | C39 | C41 | H60 | 60.0° | 157.6° |
| N7 | C39 | C41 | H61 | 60.0° | 37.6° |
| N7 | C39 | C40 | N8 | 163.8° | 172.5° |
| H57 | N7 | C39 | C40 | 74.0° | 78.5° |
| H57 | N7 | C39 | C41 | 42.4° | 41.3° |
| H57 | N7 | C39 | H58 | 161.8° | 161.8° |
| C40 | C39 | C41 | H58 | 122.0° | 120.5° |
| C39 | C40 | O6 | N8 | 175.8° | 180.0° |
| C40 | C39 | C41 | H59 | 61.9° | 36.6° |
| C40 | C39 | C41 | H60 | 178.1° | 83.4° |
| C40 | C39 | C41 | H61 | 58.1° | 156.6° |
| C39 | C40 | N8 | C42 | 174.2° | 174.6° |
| C39 | C40 | N8 | C46 | 3.0° | 4.3° |
| C40 | C39 | N7 | C34 | 106.0° | 101.5° |
| C41 | C39 | C40 | O6 | 95.5° | 127.3° |
| C39 | C41 | H59 | H60 | 120.0° | 120.0° |
| C39 | C41 | H59 | H61 | 120.0° | 120.1° |
| C39 | C41 | H60 | H61 | 120.0° | 120.1° |
| C41 | C39 | N7 | C34 | 137.6° | 138.8° |
| C41 | C39 | C40 | N8 | 80.2° | 52.8° |
| H58 | C39 | C40 | O6 | 143.9° | 112.2° |
| H58 | C39 | C41 | H59 | 60.1° | 157.1° |
| H58 | C39 | C41 | H60 | 59.9° | 37.1° |
| H58 | C39 | C41 | H61 | 179.9° | 82.9° |
| H58 | C39 | N7 | C34 | 18.2° | 18.2° |
| H58 | C39 | C40 | N8 | 40.4° | 67.8° |
| O6 | C40 | N8 | C42 | 1.5° | 5.4° |
| O6 | C40 | N8 | C46 | 178.7° | 175.7° |
| H59 | C41 | H60 | H61 | 119.9° | 119.9° |
| C42 | N8 | C46 | C40 | 177.6° | 179.1° |
| N8 | C42 | C43 | C44 | 110.4° | 118.6° |
| N8 | C42 | C43 | H62 | 124.0° | 121.5° |
| N8 | C42 | C44 | H62 | 121.9° | 117.9° |
| N8 | C42 | C43 | O7 | 21.3° | 64.5° |
| N8 | C42 | C44 | C45 | 34.8° | 20.1° |
| N8 | C42 | C44 | H63 | 83.8° | 139.0° |
| N8 | C42 | C44 | H64 | 153.4° | 98.8° |
| C42 | N8 | C46 | C45 | 26.8° | 7.3° |
| C42 | N8 | C46 | H67 | 145.5° | 112.6° |
| C42 | N8 | C46 | H68 | 92.0° | 127.1° |
| N8 | C42 | C43 | N3 | 157.6° | 115.4° |
| C46 | N8 | C42 | C43 | 118.2° | 111.8° |
| C46 | N8 | C42 | C44 | 4.8° | 8.2° |
| C46 | N8 | C42 | H62 | 116.8° | 125.4° |
| N8 | C46 | C45 | C44 | 47.8° | 19.4° |
| N8 | C46 | C45 | H67 | 118.7° | 119.9° |
| N8 | C46 | C45 | H68 | 118.7° | 119.9° |
| N8 | C46 | C45 | H65 | 166.0° | 99.2° |
| N8 | C46 | C45 | H66 | 70.4° | 138.0° |
| N8 | C46 | H67 | H68 | 123.6° | 120.4° |
| C43 | C42 | C44 | H62 | 126.8° | 121.8° |
| C42 | C43 | O7 | N3 | 179.0° | 179.9° |
| C43 | C42 | C44 | C45 | 146.1° | 100.2° |
| C43 | C42 | C44 | H63 | 27.5° | 18.7° |
| C43 | C42 | C44 | H64 | 95.3° | 140.9° |
| C43 | C42 | N8 | C40 | 59.6° | 69.2° |
| C44 | C42 | C43 | O7 | 89.1° | 54.1° |
| C42 | C44 | C45 | H63 | 118.6° | 118.9° |
| C42 | C44 | C45 | H64 | 118.6° | 118.9° |
| C42 | C44 | H63 | H64 | 123.9° | 122.2° |
| C42 | C44 | C45 | C46 | 51.0° | 23.6° |
| C42 | C44 | C45 | H65 | 169.2° | 95.1° |
| C42 | C44 | C45 | H66 | 67.2° | 142.2° |
| C44 | C42 | C43 | N3 | 92.0° | 125.9° |
| C44 | C42 | N8 | C40 | 172.9° | 170.8° |
| H62 | C42 | C43 | O7 | 145.3° | 174.0° |
| H62 | C42 | C44 | C45 | 87.1° | 138.0° |
| H62 | C42 | C44 | H63 | 154.3° | 103.1° |
| H62 | C42 | C44 | H64 | 31.5° | 19.1° |
| H62 | C42 | C43 | N3 | 33.6° | 6.1° |
| H62 | C42 | N8 | C40 | 65.5° | 53.6° |
| C45 | C44 | H63 | H64 | 123.9° | 122.2° |
| C44 | C45 | C46 | H65 | 118.2° | 118.6° |
| C44 | C45 | C46 | H66 | 118.2° | 118.6° |
| C44 | C45 | H65 | H66 | 125.0° | 122.7° |
| C44 | C45 | C46 | H67 | 166.5° | 100.5° |
| C44 | C45 | C46 | H68 | 70.9° | 139.3° |
| H63 | C44 | C45 | C46 | 67.6° | 142.5° |
| H63 | C44 | C45 | H65 | 50.6° | 23.8° |
| H63 | C44 | C45 | H66 | 174.1° | 98.9° |
| H64 | C44 | C45 | C46 | 169.6° | 95.3° |
| H64 | C44 | C45 | H65 | 72.2° | 146.0° |
| H64 | C44 | C45 | H66 | 51.4° | 23.3° |
| C46 | C45 | H65 | H66 | 125.0° | 122.8° |
| C45 | C46 | H67 | H68 | 123.7° | 120.3° |
| C45 | C46 | N8 | C40 | 155.7° | 173.7° |
| H65 | C45 | C46 | H67 | 75.3° | 140.9° |
| H65 | C45 | C46 | H68 | 47.3° | 20.7° |
| H66 | C45 | C46 | H67 | 48.3° | 18.1° |
| H66 | C45 | C46 | H68 | 170.9° | 102.1° |
| H67 | C46 | N8 | C40 | 37.0° | 66.4° |
| H68 | C46 | N8 | C40 | 85.6° | 53.8° |
