PRD_002319
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C15 | sing | 1.38Å | 1.39Å | |
| C15 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| C15 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| N4 | C9 | sing | 1.35Å | 1.36Å | Aromatic |
| N4 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| N6 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C17 | doub | 1.41Å | 1.36Å | Aromatic |
| C8 | N3 | sing | 1.36Å | 1.35Å | Aromatic |
| C16 | N7 | doub | 1.32Å | 1.36Å | Aromatic |
| C17 | N3 | sing | 1.37Å | 1.35Å | Aromatic |
| C17 | N7 | sing | 1.33Å | 1.38Å | Aromatic |
| N3 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.55Å | 1.37Å | |
| C13 | O3 | sing | 1.44Å | 1.58Å | |
| C14 | O4 | sing | 1.43Å | 1.45Å | |
| C14 | C7 | sing | 1.55Å | 1.55Å | |
| O3 | C12 | sing | 1.44Å | 1.37Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C6 | C12 | sing | 1.53Å | 1.55Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C7 | C12 | sing | 1.54Å | 1.55Å | |
| C7 | O5 | sing | 1.43Å | 1.38Å | |
| C3 | N1 | sing | 1.47Å | 1.50Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C10 | sing | 1.53Å | 1.57Å | |
| C10 | C5 | sing | 1.53Å | 1.54Å | |
| N2 | C5 | sing | 1.47Å | 1.43Å | |
| C5 | C11 | sing | 1.51Å | 1.56Å | |
| O1 | C11 | doub | 1.21Å | 1.28Å | |
| C11 | O2 | sing | 1.34Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| N2 | H16 | sing | 1.01Å | 1.00Å | |
| N2 | H17 | sing | 1.01Å | 1.00Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å | |
| O5 | H23 | sing | 0.97Å | 0.95Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| N8 | C18 | sing | 1.47Å | 1.46Å | |
| N8 | C22 | sing | 1.48Å | 1.48Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | C20 | sing | 1.54Å | 1.53Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | O6 | doub | 1.21Å | 1.21Å | |
| C20 | C21 | sing | 1.55Å | 1.49Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.55Å | 1.55Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| N9 | C23 | sing | 1.47Å | 1.47Å | |
| N9 | C27 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | C25 | sing | 1.54Å | 1.53Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | O7 | doub | 1.21Å | 1.24Å | |
| C25 | C26 | sing | 1.55Å | 1.47Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.55Å | 1.49Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| N10 | C28 | sing | 1.46Å | 1.45Å | |
| N10 | H41 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | O8 | doub | 1.21Å | 1.24Å | |
| C30 | C31 | sing | 1.53Å | 1.47Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | N11 | sing | 1.47Å | 1.50Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| N11 | H51 | sing | 1.01Å | 1.00Å | |
| N11 | H52 | sing | 1.01Å | 1.00Å | |
| N11 | H53 | sing | 1.01Å | 1.00Å | |
| N12 | C34 | sing | 1.47Å | 1.46Å | |
| N12 | H54 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | O9 | doub | 1.21Å | 1.24Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.57Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | N13 | sing | 1.47Å | 1.47Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| N13 | C39 | sing | 1.37Å | 1.34Å | |
| N13 | H62 | sing | 0.97Å | 1.00Å | |
| C39 | N14 | sing | 1.33Å | 1.33Å | |
| C39 | N15 | doub | 1.33Å | 1.33Å | |
| N14 | H63 | sing | 0.97Å | 1.00Å | |
| N14 | H64 | sing | 0.97Å | 1.00Å | |
| N15 | H65 | sing | 0.97Å | 1.00Å | |
| N15 | H66 | sing | 0.97Å | 1.00Å | |
| N16 | C40 | sing | 1.46Å | 1.46Å | |
| N16 | H67 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C40 | C42 | sing | 1.53Å | 1.54Å | |
| C40 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | O10 | doub | 1.21Å | 1.24Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.52Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H70 | sing | 1.09Å | 1.10Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å | |
| C44 | H72 | sing | 1.09Å | 1.10Å | |
| C44 | H73 | sing | 1.09Å | 1.10Å | |
| C44 | H74 | sing | 1.09Å | 1.10Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C45 | H77 | sing | 1.09Å | 1.10Å | |
| N17 | C46 | sing | 1.46Å | 1.46Å | |
| N17 | H78 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.53Å | |
| C46 | C48 | sing | 1.53Å | 1.54Å | |
| C46 | H79 | sing | 1.09Å | 1.10Å | |
| C47 | O11 | doub | 1.21Å | 1.24Å | |
| C48 | H80 | sing | 1.09Å | 1.10Å | |
| C48 | H81 | sing | 1.09Å | 1.10Å | |
| C48 | H82 | sing | 1.09Å | 1.10Å | |
| N18 | H83 | sing | 0.97Å | 1.00Å | |
| N18 | H84 | sing | 0.97Å | 1.00Å | |
| C1 | N8 | sing | 1.47Å | 1.43Å | |
| C19 | N9 | sing | 1.35Å | 1.33Å | |
| C24 | N10 | sing | 1.35Å | 1.33Å | |
| C29 | N12 | sing | 1.35Å | 1.33Å | |
| C35 | N16 | sing | 1.35Å | 1.33Å | |
| C41 | N17 | sing | 1.35Å | 1.33Å | |
| C47 | N18 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C15 | N6 | 114.3° | 120.8° |
| N5 | C15 | C9 | 125.1° | 120.8° |
| C15 | N5 | H24 | 109.5° | 120.0° |
| C15 | N5 | H25 | 109.5° | 120.0° |
| N6 | C15 | C9 | 120.7° | 118.5° |
| C15 | N6 | C16 | 120.5° | 121.2° |
| C15 | C9 | N4 | 134.5° | 134.7° |
| C15 | C9 | C17 | 118.1° | 118.2° |
| C9 | N4 | C8 | 108.0° | 109.4° |
| N4 | C9 | C17 | 107.4° | 107.2° |
| N4 | C8 | N3 | 108.5° | 110.0° |
| N4 | C8 | H13 | 125.8° | 125.0° |
| N6 | C16 | N7 | 121.3° | 122.4° |
| N6 | C16 | H26 | 119.3° | 118.8° |
| C9 | C17 | N3 | 108.1° | 106.0° |
| C9 | C17 | N7 | 121.2° | 119.1° |
| C8 | N3 | C17 | 108.0° | 107.5° |
| C8 | N3 | C13 | 129.6° | 126.2° |
| N3 | C8 | H13 | 125.7° | 125.0° |
| C16 | N7 | C17 | 118.3° | 120.6° |
| N7 | C16 | H26 | 119.4° | 118.8° |
| N3 | C17 | N7 | 130.8° | 134.9° |
| C17 | N3 | C13 | 122.4° | 126.3° |
| N3 | C13 | C14 | 120.0° | 110.6° |
| N3 | C13 | O3 | 98.9° | 110.6° |
| N3 | C13 | H20 | 112.1° | 110.6° |
| C14 | C13 | O3 | 99.5° | 103.5° |
| C13 | C14 | O4 | 108.5° | 110.9° |
| C13 | C14 | C7 | 106.3° | 102.1° |
| C14 | C13 | H20 | 113.6° | 110.6° |
| C13 | C14 | H21 | 112.5° | 110.9° |
| C13 | O3 | C12 | 105.4° | 106.9° |
| O3 | C13 | H20 | 110.3° | 110.6° |
| O4 | C14 | C7 | 108.7° | 110.9° |
| O4 | C14 | H21 | 111.0° | 110.8° |
| C14 | O4 | H22 | 109.5° | 114.0° |
| C14 | C7 | C12 | 100.5° | 104.2° |
| C14 | C7 | O5 | 112.0° | 110.5° |
| C14 | C7 | H12 | 109.4° | 110.6° |
| C7 | C14 | H21 | 109.7° | 111.0° |
| O3 | C12 | C6 | 105.3° | 109.9° |
| O3 | C12 | C7 | 107.3° | 107.3° |
| O3 | C12 | H19 | 111.8° | 109.9° |
| C1 | C2 | C3 | 110.2° | 109.5° |
| C2 | C1 | H1 | 107.8° | 109.5° |
| C2 | C1 | H2 | 107.8° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.5° |
| C1 | C2 | H4 | 109.3° | 109.5° |
| C2 | C1 | N8 | 116.0° | 109.5° |
| C2 | C3 | N1 | 111.2° | 109.5° |
| C3 | C2 | H3 | 109.3° | 109.5° |
| C3 | C2 | H4 | 109.3° | 109.4° |
| C2 | C3 | H5 | 109.0° | 109.4° |
| C2 | C3 | H6 | 109.0° | 109.4° |
| C12 | C6 | N1 | 107.1° | 109.5° |
| C6 | C12 | C7 | 114.2° | 109.9° |
| C12 | C6 | H10 | 110.1° | 109.5° |
| C12 | C6 | H11 | 110.0° | 109.5° |
| C6 | C12 | H19 | 109.1° | 109.9° |
| C6 | N1 | C3 | 115.3° | 111.0° |
| C6 | N1 | C4 | 111.0° | 111.0° |
| N1 | C6 | H10 | 110.1° | 109.5° |
| N1 | C6 | H11 | 110.1° | 109.5° |
| C12 | C7 | O5 | 113.2° | 110.5° |
| C12 | C7 | H12 | 109.3° | 110.5° |
| C7 | C12 | H19 | 109.1° | 109.9° |
| O5 | C7 | H12 | 111.8° | 110.5° |
| C7 | O5 | H23 | 109.5° | 114.0° |
| C3 | N1 | C4 | 112.3° | 111.0° |
| N1 | C3 | H5 | 109.1° | 109.5° |
| N1 | C3 | H6 | 109.1° | 109.5° |
| N1 | C4 | C10 | 103.5° | 109.5° |
| N1 | C4 | H7 | 110.9° | 109.5° |
| N1 | C4 | H8 | 110.9° | 109.5° |
| C4 | C10 | C5 | 104.1° | 109.5° |
| C10 | C4 | H7 | 110.9° | 109.5° |
| C10 | C4 | H8 | 110.9° | 109.4° |
| C4 | C10 | H14 | 110.8° | 109.5° |
| C4 | C10 | H15 | 110.8° | 109.5° |
| C10 | C5 | N2 | 110.2° | 109.5° |
| C10 | C5 | C11 | 108.6° | 109.5° |
| C10 | C5 | H9 | 108.6° | 109.4° |
| C5 | C10 | H14 | 110.8° | 109.5° |
| C5 | C10 | H15 | 110.8° | 109.5° |
| N2 | C5 | C11 | 110.8° | 109.5° |
| N2 | C5 | H9 | 110.1° | 109.5° |
| C5 | N2 | H16 | 109.5° | 111.0° |
| C5 | N2 | H17 | 109.5° | 111.0° |
| C5 | C11 | O1 | 119.6° | 120.0° |
| C5 | C11 | O2 | 118.9° | 120.0° |
| C11 | C5 | H9 | 108.3° | 109.5° |
| O1 | C11 | O2 | 121.5° | 120.0° |
| C11 | O2 | H18 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | N8 | 107.8° | 109.4° |
| H2 | C1 | N8 | 107.8° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H16 | N2 | H17 | 109.5° | 111.0° |
| H24 | N5 | H25 | 109.5° | 120.0° |
| C18 | N8 | C22 | 110.1° | 108.5° |
| N8 | C18 | C19 | 113.8° | 109.9° |
| N8 | C18 | C20 | 102.2° | 107.2° |
| N8 | C18 | H27 | 111.9° | 109.9° |
| C18 | N8 | C1 | 129.4° | 111.0° |
| N8 | C22 | C21 | 102.5° | 104.8° |
| N8 | C22 | H32 | 111.2° | 110.4° |
| N8 | C22 | H33 | 111.2° | 110.3° |
| C22 | N8 | C1 | 96.7° | 111.0° |
| C19 | C18 | C20 | 106.9° | 109.9° |
| C19 | C18 | H27 | 110.8° | 109.9° |
| C18 | C19 | O6 | 119.1° | 120.0° |
| C18 | C19 | N9 | 118.0° | 120.0° |
| C20 | C18 | H27 | 110.8° | 110.0° |
| C18 | C20 | C21 | 104.7° | 103.0° |
| C18 | C20 | H28 | 110.7° | 110.7° |
| C18 | C20 | H29 | 110.6° | 110.7° |
| O6 | C19 | N9 | 122.9° | 120.0° |
| C21 | C20 | H28 | 110.6° | 110.7° |
| C21 | C20 | H29 | 110.7° | 110.7° |
| C20 | C21 | C22 | 108.2° | 101.6° |
| C20 | C21 | H30 | 109.8° | 111.0° |
| C20 | C21 | H31 | 109.8° | 111.0° |
| H28 | C20 | H29 | 109.4° | 110.7° |
| C22 | C21 | H30 | 109.8° | 111.0° |
| C22 | C21 | H31 | 109.8° | 111.0° |
| C21 | C22 | H32 | 111.2° | 110.4° |
| C21 | C22 | H33 | 111.2° | 110.3° |
| H30 | C21 | H31 | 109.5° | 110.9° |
| H32 | C22 | H33 | 109.5° | 110.5° |
| C23 | N9 | C27 | 112.4° | 108.7° |
| N9 | C23 | C24 | 107.9° | 109.9° |
| N9 | C23 | C25 | 103.6° | 107.3° |
| N9 | C23 | H34 | 111.8° | 109.9° |
| C23 | N9 | C19 | 119.2° | 125.6° |
| N9 | C27 | C26 | 102.9° | 104.7° |
| N9 | C27 | H39 | 111.1° | 110.4° |
| N9 | C27 | H40 | 111.1° | 110.3° |
| C27 | N9 | C19 | 127.0° | 125.7° |
| C24 | C23 | C25 | 111.3° | 109.9° |
| C24 | C23 | H34 | 111.1° | 109.9° |
| C23 | C24 | O7 | 121.1° | 120.0° |
| C23 | C24 | N10 | 116.2° | 120.0° |
| C25 | C23 | H34 | 110.8° | 110.0° |
| C23 | C25 | C26 | 104.4° | 102.9° |
| C23 | C25 | H35 | 110.8° | 110.7° |
| C23 | C25 | H36 | 110.7° | 110.7° |
| O7 | C24 | N10 | 122.6° | 120.0° |
| C26 | C25 | H35 | 110.7° | 110.7° |
| C26 | C25 | H36 | 110.7° | 110.7° |
| C25 | C26 | C27 | 108.7° | 101.5° |
| C25 | C26 | H37 | 109.7° | 111.0° |
| C25 | C26 | H38 | 109.7° | 111.0° |
| H35 | C25 | H36 | 109.5° | 110.8° |
| C27 | C26 | H37 | 109.7° | 111.2° |
| C27 | C26 | H38 | 109.7° | 110.8° |
| C26 | C27 | H39 | 111.1° | 110.5° |
| C26 | C27 | H40 | 111.1° | 110.3° |
| H37 | C26 | H38 | 109.5° | 110.9° |
| H39 | C27 | H40 | 109.5° | 110.4° |
| C28 | N10 | H41 | 122.0° | 120.0° |
| N10 | C28 | C29 | 112.4° | 109.5° |
| N10 | C28 | C30 | 111.6° | 109.5° |
| N10 | C28 | H42 | 107.6° | 109.4° |
| C28 | N10 | C24 | 116.0° | 120.0° |
| H41 | N10 | C24 | 122.0° | 120.0° |
| C29 | C28 | C30 | 111.2° | 109.5° |
| C29 | C28 | H42 | 106.8° | 109.4° |
| C28 | C29 | O8 | 122.3° | 120.0° |
| C28 | C29 | N12 | 113.7° | 120.0° |
| C30 | C28 | H42 | 106.8° | 109.5° |
| C28 | C30 | C31 | 112.7° | 109.5° |
| C28 | C30 | H43 | 108.7° | 109.5° |
| C28 | C30 | H44 | 108.7° | 109.5° |
| O8 | C29 | N12 | 123.9° | 120.0° |
| C31 | C30 | H43 | 108.6° | 109.5° |
| C31 | C30 | H44 | 108.6° | 109.4° |
| C30 | C31 | C32 | 110.2° | 109.5° |
| C30 | C31 | H45 | 109.3° | 109.5° |
| C30 | C31 | H46 | 109.3° | 109.5° |
| H43 | C30 | H44 | 109.5° | 109.5° |
| C32 | C31 | H45 | 109.3° | 109.4° |
| C32 | C31 | H46 | 109.3° | 109.4° |
| C31 | C32 | C33 | 114.1° | 109.5° |
| C31 | C32 | H47 | 108.3° | 109.4° |
| C31 | C32 | H48 | 108.3° | 109.5° |
| H45 | C31 | H46 | 109.5° | 109.5° |
| C33 | C32 | H47 | 108.3° | 109.5° |
| C33 | C32 | H48 | 108.3° | 109.5° |
| C32 | C33 | N11 | 110.9° | 109.5° |
| C32 | C33 | H49 | 109.1° | 109.5° |
| C32 | C33 | H50 | 109.1° | 109.4° |
| H47 | C32 | H48 | 109.5° | 109.4° |
| N11 | C33 | H49 | 109.1° | 109.5° |
| N11 | C33 | H50 | 109.1° | 109.5° |
| C33 | N11 | H51 | 109.5° | 109.5° |
| C33 | N11 | H52 | 109.5° | 109.5° |
| C33 | N11 | H53 | 109.4° | 109.5° |
| H49 | C33 | H50 | 109.5° | 109.5° |
| H51 | N11 | H52 | 109.4° | 109.5° |
| H51 | N11 | H53 | 109.5° | 109.4° |
| H52 | N11 | H53 | 109.5° | 109.5° |
| C34 | N12 | H54 | 119.1° | 120.0° |
| N12 | C34 | C35 | 111.5° | 109.5° |
| N12 | C34 | C36 | 109.7° | 109.5° |
| N12 | C34 | H55 | 110.0° | 109.5° |
| C34 | N12 | C29 | 121.7° | 120.0° |
| H54 | N12 | C29 | 119.1° | 120.0° |
| C35 | C34 | C36 | 107.5° | 109.5° |
| C35 | C34 | H55 | 109.2° | 109.5° |
| C34 | C35 | O9 | 122.2° | 120.0° |
| C34 | C35 | N16 | 114.8° | 120.0° |
| C36 | C34 | H55 | 108.9° | 109.5° |
| C34 | C36 | C37 | 117.1° | 109.5° |
| C34 | C36 | H56 | 107.5° | 109.5° |
| C34 | C36 | H57 | 107.5° | 109.5° |
| O9 | C35 | N16 | 123.0° | 120.0° |
| C37 | C36 | H56 | 107.5° | 109.5° |
| C37 | C36 | H57 | 107.5° | 109.4° |
| C36 | C37 | C38 | 110.7° | 109.5° |
| C36 | C37 | H58 | 109.2° | 109.5° |
| C36 | C37 | H59 | 109.2° | 109.4° |
| H56 | C36 | H57 | 109.5° | 109.5° |
| C38 | C37 | H58 | 109.2° | 109.5° |
| C38 | C37 | H59 | 109.2° | 109.5° |
| C37 | C38 | N13 | 112.5° | 109.5° |
| C37 | C38 | H60 | 108.7° | 109.4° |
| C37 | C38 | H61 | 108.7° | 109.5° |
| H58 | C37 | H59 | 109.5° | 109.5° |
| N13 | C38 | H60 | 108.7° | 109.5° |
| N13 | C38 | H61 | 108.7° | 109.5° |
| C38 | N13 | C39 | 125.7° | 120.0° |
| C38 | N13 | H62 | 117.2° | 120.0° |
| H60 | C38 | H61 | 109.5° | 109.5° |
| C39 | N13 | H62 | 117.1° | 120.0° |
| N13 | C39 | N14 | 121.1° | 120.0° |
| N13 | C39 | N15 | 119.5° | 120.0° |
| N14 | C39 | N15 | 119.4° | 120.0° |
| C39 | N14 | H63 | 120.0° | 120.0° |
| C39 | N14 | H64 | 120.0° | 120.0° |
| C39 | N15 | H65 | 120.0° | 120.0° |
| C39 | N15 | H66 | 120.0° | 119.9° |
| H63 | N14 | H64 | 120.0° | 120.0° |
| H65 | N15 | H66 | 120.0° | 120.1° |
| C40 | N16 | H67 | 118.8° | 120.0° |
| N16 | C40 | C41 | 108.7° | 109.5° |
| N16 | C40 | C42 | 109.0° | 109.5° |
| N16 | C40 | H68 | 109.3° | 109.5° |
| C40 | N16 | C35 | 122.4° | 120.0° |
| H67 | N16 | C35 | 118.8° | 120.0° |
| C41 | C40 | C42 | 113.0° | 109.5° |
| C41 | C40 | H68 | 108.5° | 109.4° |
| C40 | C41 | O10 | 121.2° | 120.0° |
| C40 | C41 | N17 | 116.3° | 120.0° |
| C42 | C40 | H68 | 108.3° | 109.5° |
| C40 | C42 | C43 | 109.2° | 109.5° |
| C40 | C42 | C44 | 111.9° | 109.4° |
| C40 | C42 | H69 | 106.9° | 109.5° |
| O10 | C41 | N17 | 122.6° | 120.0° |
| C43 | C42 | C44 | 114.4° | 109.5° |
| C43 | C42 | H69 | 107.0° | 109.5° |
| C42 | C43 | C45 | 113.0° | 109.5° |
| C42 | C43 | H70 | 108.6° | 109.5° |
| C42 | C43 | H71 | 108.6° | 109.5° |
| C44 | C42 | H69 | 107.1° | 109.5° |
| C42 | C44 | H72 | 109.5° | 109.4° |
| C42 | C44 | H73 | 109.5° | 109.5° |
| C42 | C44 | H74 | 109.5° | 109.5° |
| C45 | C43 | H70 | 108.6° | 109.5° |
| C45 | C43 | H71 | 108.6° | 109.5° |
| C43 | C45 | H75 | 109.5° | 109.5° |
| C43 | C45 | H76 | 109.5° | 109.5° |
| C43 | C45 | H77 | 109.5° | 109.5° |
| H70 | C43 | H71 | 109.5° | 109.5° |
| H72 | C44 | H73 | 109.4° | 109.4° |
| H72 | C44 | H74 | 109.4° | 109.5° |
| H73 | C44 | H74 | 109.5° | 109.5° |
| H75 | C45 | H76 | 109.5° | 109.4° |
| H75 | C45 | H77 | 109.4° | 109.5° |
| H76 | C45 | H77 | 109.5° | 109.5° |
| C46 | N17 | H78 | 119.5° | 120.0° |
| N17 | C46 | C47 | 109.8° | 109.5° |
| N17 | C46 | C48 | 110.7° | 109.5° |
| N17 | C46 | H79 | 108.9° | 109.4° |
| C46 | N17 | C41 | 121.1° | 120.0° |
| H78 | N17 | C41 | 119.5° | 120.0° |
| C47 | C46 | C48 | 111.6° | 109.5° |
| C47 | C46 | H79 | 107.9° | 109.5° |
| C46 | C47 | O11 | 121.0° | 120.0° |
| C46 | C47 | N18 | 116.1° | 120.0° |
| C48 | C46 | H79 | 107.9° | 109.5° |
| C46 | C48 | H80 | 109.5° | 109.5° |
| C46 | C48 | H81 | 109.5° | 109.5° |
| C46 | C48 | H82 | 109.5° | 109.5° |
| O11 | C47 | N18 | 123.0° | 120.0° |
| H80 | C48 | H81 | 109.5° | 109.5° |
| H80 | C48 | H82 | 109.5° | 109.5° |
| H81 | C48 | H82 | 109.5° | 109.4° |
| H83 | N18 | H84 | 120.0° | 120.1° |
| H83 | N18 | C47 | 120.0° | 120.0° |
| H84 | N18 | C47 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C15 | N6 | C9 | 179.8° | 179.9° |
| N5 | C15 | C9 | N4 | 0.5° | 0.4° |
| N5 | C15 | N6 | C16 | 178.2° | 179.9° |
| N5 | C15 | C9 | C17 | 179.0° | 179.9° |
| C15 | N5 | H24 | H25 | 120.0° | 179.9° |
| N6 | C15 | C9 | N4 | 179.7° | 179.5° |
| N6 | C15 | C9 | C17 | 0.8° | 0.0° |
| C15 | N6 | C16 | N7 | 1.4° | 0.5° |
| N6 | C15 | N5 | H24 | 0.0° | 0.1° |
| N6 | C15 | N5 | H25 | 120.0° | 179.9° |
| C15 | N6 | C16 | H26 | 178.6° | 180.0° |
| C15 | C9 | N4 | C17 | 179.6° | 179.5° |
| C15 | C9 | N4 | C8 | 179.8° | 179.8° |
| C9 | C15 | N6 | C16 | 1.6° | 0.0° |
| C15 | C9 | C17 | N3 | 179.8° | 180.0° |
| C15 | C9 | C17 | N7 | 0.1° | 0.4° |
| C9 | C15 | N5 | H24 | 179.8° | 180.0° |
| C9 | C15 | N5 | H25 | 60.1° | 0.1° |
| C9 | N4 | C8 | N3 | 0.5° | 0.0° |
| N4 | C9 | C17 | N3 | 0.5° | 0.4° |
| N4 | C9 | C17 | N7 | 179.5° | 180.0° |
| C9 | N4 | C8 | H13 | 179.6° | 179.7° |
| C8 | N4 | C9 | C17 | 0.6° | 0.3° |
| N4 | C8 | N3 | H13 | 180.0° | 179.8° |
| N4 | C8 | N3 | C17 | 0.1° | 0.2° |
| N4 | C8 | N3 | C13 | 180.0° | 179.8° |
| N6 | C16 | N7 | H26 | 180.0° | 179.5° |
| N6 | C16 | N7 | C17 | 0.5° | 0.9° |
| C9 | C17 | N3 | C8 | 0.3° | 0.4° |
| C9 | C17 | N7 | C16 | 0.3° | 0.8° |
| C9 | C17 | N3 | N7 | 179.9° | 179.5° |
| C9 | C17 | N3 | C13 | 179.6° | 179.6° |
| C8 | N3 | C17 | C13 | 179.8° | 180.0° |
| C8 | N3 | C17 | N7 | 179.8° | 179.9° |
| C8 | N3 | C13 | C14 | 34.5° | 95.2° |
| C8 | N3 | C13 | O3 | 72.0° | 18.9° |
| C8 | N3 | C13 | H20 | 171.7° | 141.8° |
| C16 | N7 | C17 | N3 | 179.6° | 179.7° |
| C17 | N3 | C13 | C14 | 145.7° | 84.7° |
| C17 | N3 | C13 | O3 | 107.8° | 161.1° |
| C17 | N3 | C8 | H13 | 179.9° | 180.0° |
| C17 | N3 | C13 | H20 | 8.5° | 38.2° |
| N7 | C17 | N3 | C13 | 0.3° | 0.2° |
| C17 | N7 | C16 | H26 | 179.5° | 179.6° |
| N3 | C13 | C14 | O3 | 106.2° | 118.5° |
| N3 | C13 | C14 | H20 | 136.6° | 122.9° |
| N3 | C13 | O3 | H20 | 117.6° | 122.9° |
| N3 | C13 | C14 | O4 | 93.1° | 86.3° |
| N3 | C13 | C14 | C7 | 150.2° | 155.5° |
| N3 | C13 | O3 | C12 | 166.0° | 158.6° |
| C13 | N3 | C8 | H13 | 0.1° | 0.0° |
| N3 | C13 | C14 | H21 | 30.1° | 37.3° |
| C14 | C13 | O3 | H20 | 119.7° | 118.5° |
| C13 | C14 | O4 | C7 | 115.2° | 112.7° |
| C13 | C14 | O4 | H21 | 124.1° | 123.6° |
| C13 | C14 | C7 | H21 | 121.8° | 118.2° |
| C14 | C13 | O3 | C12 | 43.4° | 40.0° |
| C13 | C14 | C7 | C12 | 31.1° | 20.9° |
| C13 | C14 | C7 | O5 | 89.4° | 97.8° |
| C13 | C14 | C7 | H12 | 146.1° | 139.6° |
| C13 | C14 | O4 | H22 | 180.0° | 180.0° |
| O3 | C13 | C14 | O4 | 160.7° | 155.2° |
| O3 | C13 | C14 | C7 | 44.0° | 37.0° |
| C13 | O3 | C12 | C6 | 145.6° | 145.9° |
| C13 | O3 | C12 | C7 | 23.5° | 26.5° |
| C13 | O3 | C12 | H19 | 96.0° | 93.0° |
| O3 | C13 | C14 | H21 | 76.1° | 81.2° |
| O4 | C14 | C7 | H21 | 121.5° | 123.6° |
| O4 | C14 | C7 | C12 | 147.7° | 139.1° |
| O4 | C14 | C7 | O5 | 27.2° | 20.4° |
| O4 | C14 | C7 | H12 | 97.3° | 102.2° |
| O4 | C14 | C13 | H20 | 43.5° | 36.7° |
| C14 | C7 | C12 | O3 | 1.8° | 2.0° |
| C14 | C7 | C12 | C6 | 114.5° | 121.5° |
| C14 | C7 | C12 | O5 | 119.7° | 118.7° |
| C14 | C7 | C12 | H12 | 115.0° | 118.8° |
| C14 | C7 | O5 | H12 | 123.2° | 122.7° |
| C14 | C7 | C12 | H19 | 123.1° | 117.5° |
| C7 | C14 | C13 | H20 | 73.2° | 81.5° |
| C7 | C14 | O4 | H22 | 64.8° | 67.3° |
| C14 | C7 | O5 | H23 | 180.0° | 65.3° |
| O3 | C12 | C6 | C7 | 117.5° | 117.9° |
| O3 | C12 | C6 | H19 | 120.1° | 121.1° |
| O3 | C12 | C6 | N1 | 167.8° | 66.5° |
| O3 | C12 | C7 | H19 | 121.3° | 119.5° |
| O3 | C12 | C7 | O5 | 117.8° | 120.7° |
| O3 | C12 | C6 | H10 | 72.5° | 53.5° |
| O3 | C12 | C6 | H11 | 48.2° | 173.5° |
| O3 | C12 | C7 | H12 | 116.9° | 116.8° |
| C12 | O3 | C13 | H20 | 76.3° | 78.5° |
| C1 | C2 | C3 | H3 | 120.1° | 120.0° |
| C1 | C2 | C3 | H4 | 120.1° | 120.0° |
| C1 | C2 | C3 | N1 | 139.0° | 180.0° |
| C2 | C1 | H1 | H2 | 117.1° | 120.0° |
| C2 | C1 | H1 | N8 | 125.9° | 120.0° |
| C2 | C1 | H2 | N8 | 125.9° | 120.1° |
| C1 | C2 | H3 | H4 | 119.7° | 120.0° |
| C1 | C2 | C3 | H5 | 18.7° | 60.0° |
| C1 | C2 | C3 | H6 | 100.7° | 60.0° |
| C2 | C1 | N8 | C18 | 61.7° | 170.0° |
| C2 | C1 | N8 | C22 | 175.4° | 69.2° |
| C2 | C3 | N1 | C6 | 62.4° | 170.0° |
| C2 | C3 | N1 | H5 | 120.3° | 120.0° |
| C2 | C3 | N1 | H6 | 120.3° | 120.0° |
| C2 | C3 | N1 | C4 | 66.1° | 66.0° |
| C3 | C2 | C1 | H1 | 26.0° | 60.0° |
| C3 | C2 | C1 | H2 | 92.2° | 60.0° |
| C3 | C2 | H3 | H4 | 119.7° | 119.9° |
| C2 | C3 | H5 | H6 | 119.2° | 120.0° |
| C3 | C2 | C1 | N8 | 146.9° | 180.0° |
| C12 | C6 | N1 | H10 | 119.6° | 120.0° |
| C12 | C6 | N1 | H11 | 119.6° | 120.1° |
| C6 | C12 | C7 | H19 | 122.4° | 121.0° |
| C6 | C12 | C7 | O5 | 125.9° | 119.9° |
| C12 | C6 | N1 | C3 | 149.8° | 76.1° |
| C12 | C6 | N1 | C4 | 81.1° | 159.9° |
| C12 | C6 | H10 | H11 | 121.1° | 120.0° |
| C6 | C12 | C7 | H12 | 0.5° | 2.7° |
| N1 | C6 | C12 | C7 | 74.7° | 175.6° |
| C6 | N1 | C3 | C4 | 128.5° | 124.0° |
| C6 | N1 | C4 | C10 | 128.2° | 72.1° |
| C6 | N1 | C3 | H5 | 57.9° | 70.1° |
| C6 | N1 | C3 | H6 | 177.3° | 50.0° |
| C6 | N1 | C4 | H7 | 112.8° | 167.9° |
| C6 | N1 | C4 | H8 | 9.1° | 47.8° |
| N1 | C6 | H10 | H11 | 121.1° | 119.9° |
| N1 | C6 | C12 | H19 | 47.7° | 54.6° |
| C12 | C7 | O5 | H12 | 124.0° | 122.5° |
| C7 | C12 | C6 | H10 | 45.0° | 64.4° |
| C7 | C12 | C6 | H11 | 165.7° | 55.6° |
| C12 | C7 | C14 | H21 | 90.8° | 97.3° |
| C12 | C7 | O5 | H23 | 67.2° | 180.0° |
| O5 | C7 | C12 | H19 | 3.4° | 1.2° |
| O5 | C7 | C14 | H21 | 148.7° | 144.0° |
| C3 | N1 | C4 | C10 | 101.1° | 163.9° |
| N1 | C3 | C2 | H3 | 100.9° | 60.0° |
| N1 | C3 | C2 | H4 | 18.9° | 60.0° |
| N1 | C3 | H5 | H6 | 119.2° | 120.1° |
| C3 | N1 | C4 | H7 | 17.9° | 43.9° |
| C3 | N1 | C4 | H8 | 139.8° | 76.1° |
| C3 | N1 | C6 | H10 | 30.1° | 163.9° |
| C3 | N1 | C6 | H11 | 90.6° | 44.0° |
| N1 | C4 | C10 | H7 | 119.0° | 120.1° |
| N1 | C4 | C10 | H8 | 119.0° | 120.0° |
| N1 | C4 | C10 | C5 | 175.7° | 174.8° |
| C4 | N1 | C3 | H5 | 173.6° | 53.9° |
| C4 | N1 | C3 | H6 | 54.2° | 174.0° |
| N1 | C4 | H7 | H8 | 122.8° | 120.0° |
| C4 | N1 | C6 | H10 | 159.3° | 39.9° |
| C4 | N1 | C6 | H11 | 38.6° | 80.0° |
| N1 | C4 | C10 | H14 | 65.1° | 65.2° |
| N1 | C4 | C10 | H15 | 56.6° | 54.8° |
| C4 | C10 | C5 | H14 | 119.2° | 120.0° |
| C4 | C10 | C5 | H15 | 119.1° | 120.0° |
| C4 | C10 | C5 | N2 | 32.0° | 63.8° |
| C4 | C10 | C5 | C11 | 89.6° | 176.2° |
| C10 | C4 | H7 | H8 | 122.7° | 119.9° |
| C4 | C10 | C5 | H9 | 152.8° | 56.2° |
| C4 | C10 | H14 | H15 | 122.5° | 120.0° |
| C10 | C5 | N2 | C11 | 120.3° | 120.1° |
| C10 | C5 | N2 | H9 | 119.8° | 120.0° |
| C10 | C5 | C11 | H9 | 117.8° | 120.0° |
| C10 | C5 | C11 | O1 | 111.1° | 103.5° |
| C10 | C5 | C11 | O2 | 71.6° | 76.5° |
| C5 | C10 | C4 | H7 | 56.7° | 54.7° |
| C5 | C10 | C4 | H8 | 65.2° | 65.3° |
| C5 | C10 | H14 | H15 | 122.5° | 120.0° |
| C10 | C5 | N2 | H16 | 180.0° | 176.0° |
| C10 | C5 | N2 | H17 | 60.0° | 60.0° |
| N2 | C5 | C11 | H9 | 120.9° | 120.0° |
| N2 | C5 | C11 | O1 | 10.2° | 16.6° |
| N2 | C5 | C11 | O2 | 167.1° | 163.5° |
| N2 | C5 | C10 | H14 | 87.1° | 176.2° |
| N2 | C5 | C10 | H15 | 151.2° | 56.2° |
| C5 | N2 | H16 | H17 | 120.0° | 124.0° |
| C5 | C11 | O1 | O2 | 177.2° | 179.9° |
| C11 | C5 | C10 | H14 | 151.2° | 56.1° |
| C11 | C5 | C10 | H15 | 29.5° | 63.8° |
| C11 | C5 | N2 | H16 | 59.7° | 63.9° |
| C11 | C5 | N2 | H17 | 60.3° | 60.0° |
| C5 | C11 | O2 | H18 | 177.3° | 180.0° |
| O1 | C11 | C5 | H9 | 131.1° | 136.6° |
| O1 | C11 | O2 | H18 | 0.0° | 0.1° |
| O2 | C11 | C5 | H9 | 46.2° | 43.5° |
| H1 | C1 | H2 | N8 | 117.0° | 119.9° |
| H1 | C1 | C2 | H3 | 94.1° | 60.0° |
| H1 | C1 | C2 | H4 | 146.1° | 180.0° |
| H1 | C1 | N8 | C18 | 59.2° | 50.0° |
| H1 | C1 | N8 | C22 | 63.7° | 170.8° |
| H2 | C1 | C2 | H3 | 147.7° | 180.0° |
| H2 | C1 | C2 | H4 | 27.9° | 60.0° |
| H2 | C1 | N8 | C18 | 177.3° | 70.0° |
| H2 | C1 | N8 | C22 | 54.4° | 50.9° |
| H3 | C2 | C3 | H5 | 138.8° | 180.0° |
| H3 | C2 | C3 | H6 | 19.4° | 60.1° |
| H3 | C2 | C1 | N8 | 26.8° | 60.0° |
| H4 | C2 | C3 | H5 | 101.4° | 60.0° |
| H4 | C2 | C3 | H6 | 139.2° | 180.0° |
| H4 | C2 | C1 | N8 | 93.0° | 60.0° |
| H7 | C4 | C10 | H14 | 175.8° | 174.8° |
| H7 | C4 | C10 | H15 | 62.5° | 65.3° |
| H8 | C4 | C10 | H14 | 53.9° | 54.8° |
| H8 | C4 | C10 | H15 | 175.6° | 174.7° |
| H9 | C5 | C10 | H14 | 33.6° | 63.8° |
| H9 | C5 | C10 | H15 | 88.1° | 176.2° |
| H9 | C5 | N2 | H16 | 60.2° | 56.0° |
| H9 | C5 | N2 | H17 | 179.8° | 180.0° |
| H10 | C6 | C12 | H19 | 167.3° | 174.6° |
| H11 | C6 | C12 | H19 | 71.9° | 65.4° |
| H12 | C7 | C12 | H19 | 121.9° | 123.7° |
| H12 | C7 | C14 | H21 | 24.2° | 21.4° |
| H12 | C7 | O5 | H23 | 56.8° | 57.5° |
| H20 | C13 | C14 | H21 | 166.7° | 160.2° |
| H21 | C14 | O4 | H22 | 55.9° | 56.4° |
| C18 | N8 | C22 | C1 | 136.3° | 122.3° |
| N8 | C18 | C19 | C20 | 112.1° | 117.8° |
| N8 | C18 | C19 | H27 | 127.1° | 121.0° |
| N8 | C18 | C20 | H27 | 119.4° | 119.5° |
| N8 | C18 | C19 | O6 | 9.7° | 0.1° |
| N8 | C18 | C20 | C21 | 32.2° | 22.3° |
| N8 | C18 | C20 | H28 | 151.5° | 140.7° |
| N8 | C18 | C20 | H29 | 87.1° | 96.1° |
| C18 | N8 | C22 | C21 | 23.7° | 24.1° |
| C18 | N8 | C22 | H32 | 142.6° | 94.8° |
| C18 | N8 | C22 | H33 | 95.1° | 142.9° |
| N8 | C18 | C19 | N9 | 171.2° | 180.0° |
| C22 | N8 | C18 | C19 | 79.5° | 120.4° |
| C22 | N8 | C18 | C20 | 35.4° | 1.0° |
| C22 | N8 | C18 | H27 | 154.0° | 118.6° |
| N8 | C22 | C21 | C20 | 2.0° | 37.1° |
| N8 | C22 | C21 | H32 | 118.9° | 118.9° |
| N8 | C22 | C21 | H33 | 118.9° | 118.8° |
| N8 | C22 | C21 | H30 | 121.8° | 81.0° |
| N8 | C22 | C21 | H31 | 117.8° | 155.2° |
| N8 | C22 | H32 | H33 | 123.2° | 122.3° |
| C19 | C18 | C20 | H27 | 120.8° | 121.1° |
| C18 | C19 | O6 | N9 | 179.1° | 179.9° |
| C19 | C18 | C20 | C21 | 87.6° | 97.1° |
| C19 | C18 | C20 | H28 | 31.6° | 21.3° |
| C19 | C18 | C20 | H29 | 153.1° | 144.5° |
| C18 | C19 | N9 | C23 | 159.1° | 180.0° |
| C18 | C19 | N9 | C27 | 5.9° | 0.4° |
| C19 | C18 | N8 | C1 | 163.2° | 117.3° |
| C20 | C18 | C19 | O6 | 102.4° | 117.7° |
| C18 | C20 | C21 | H28 | 119.3° | 118.4° |
| C18 | C20 | C21 | H29 | 119.2° | 118.4° |
| C18 | C20 | H28 | H29 | 122.2° | 123.2° |
| C18 | C20 | C21 | C22 | 18.8° | 35.7° |
| C18 | C20 | C21 | H30 | 101.0° | 82.4° |
| C18 | C20 | C21 | H31 | 138.5° | 153.7° |
| C20 | C18 | N8 | C1 | 81.9° | 123.2° |
| C20 | C18 | C19 | N9 | 76.8° | 62.2° |
| H27 | C18 | C19 | O6 | 136.8° | 121.1° |
| H27 | C18 | C20 | C21 | 151.6° | 141.8° |
| H27 | C18 | C20 | H28 | 89.2° | 99.8° |
| H27 | C18 | C20 | H29 | 32.3° | 23.4° |
| H27 | C18 | N8 | C1 | 36.7° | 3.7° |
| H27 | C18 | C19 | N9 | 44.0° | 59.0° |
| O6 | C19 | N9 | C23 | 20.0° | 0.1° |
| O6 | C19 | N9 | C27 | 175.0° | 179.7° |
| C21 | C20 | H28 | H29 | 122.2° | 123.2° |
| C20 | C21 | C22 | H30 | 119.8° | 118.1° |
| C20 | C21 | C22 | H31 | 119.8° | 118.1° |
| C20 | C21 | H30 | H31 | 120.6° | 123.9° |
| C20 | C21 | C22 | H32 | 120.9° | 81.8° |
| C20 | C21 | C22 | H33 | 116.9° | 155.9° |
| H28 | C20 | C21 | C22 | 138.0° | 154.1° |
| H28 | C20 | C21 | H30 | 18.2° | 36.0° |
| H28 | C20 | C21 | H31 | 102.2° | 87.9° |
| H29 | C20 | C21 | C22 | 100.5° | 82.7° |
| H29 | C20 | C21 | H30 | 139.7° | 159.1° |
| H29 | C20 | C21 | H31 | 19.3° | 35.3° |
| C22 | C21 | H30 | H31 | 120.6° | 123.9° |
| C21 | C22 | H32 | H33 | 123.2° | 122.3° |
| C21 | C22 | N8 | C1 | 112.5° | 146.4° |
| H30 | C21 | C22 | H32 | 119.3° | 160.2° |
| H30 | C21 | C22 | H33 | 2.9° | 37.8° |
| H31 | C21 | C22 | H32 | 1.1° | 36.3° |
| H31 | C21 | C22 | H33 | 123.3° | 86.1° |
| H32 | C22 | N8 | C1 | 6.3° | 27.5° |
| H33 | C22 | N8 | C1 | 128.6° | 94.8° |
| C23 | N9 | C27 | C19 | 165.9° | 179.7° |
| N9 | C23 | C24 | C25 | 113.1° | 117.8° |
| N9 | C23 | C24 | H34 | 122.9° | 121.0° |
| N9 | C23 | C25 | H34 | 120.1° | 119.5° |
| N9 | C23 | C24 | O7 | 23.9° | 0.0° |
| N9 | C23 | C25 | C26 | 22.9° | 22.2° |
| N9 | C23 | C25 | H35 | 142.1° | 140.6° |
| N9 | C23 | C25 | H36 | 96.3° | 96.2° |
| C23 | N9 | C27 | C26 | 8.4° | 24.5° |
| C23 | N9 | C27 | H39 | 110.5° | 94.5° |
| C23 | N9 | C27 | H40 | 127.3° | 143.2° |
| N9 | C23 | C24 | N10 | 153.4° | 180.0° |
| C27 | N9 | C23 | C24 | 109.2° | 120.7° |
| C27 | N9 | C23 | C25 | 9.0° | 1.3° |
| C27 | N9 | C23 | H34 | 128.3° | 118.3° |
| N9 | C27 | C26 | C25 | 23.6° | 37.3° |
| N9 | C27 | C26 | H39 | 118.9° | 118.8° |
| N9 | C27 | C26 | H40 | 118.9° | 118.7° |
| N9 | C27 | C26 | H37 | 96.3° | 80.8° |
| N9 | C27 | C26 | H38 | 143.5° | 155.3° |
| N9 | C27 | H39 | H40 | 123.0° | 122.3° |
| C24 | C23 | C25 | H34 | 124.2° | 121.1° |
| C23 | C24 | O7 | N10 | 177.0° | 180.0° |
| C24 | C23 | C25 | C26 | 92.9° | 97.2° |
| C24 | C23 | C25 | H35 | 26.3° | 21.2° |
| C24 | C23 | C25 | H36 | 148.0° | 144.4° |
| C23 | C24 | N10 | C28 | 178.8° | 180.0° |
| C23 | C24 | N10 | H41 | 1.1° | 0.0° |
| C24 | C23 | N9 | C19 | 57.9° | 59.6° |
| C25 | C23 | C24 | O7 | 89.2° | 117.8° |
| C23 | C25 | C26 | H35 | 119.2° | 118.4° |
| C23 | C25 | C26 | H36 | 119.2° | 118.3° |
| C23 | C25 | H35 | H36 | 122.4° | 123.2° |
| C23 | C25 | C26 | C27 | 29.5° | 35.7° |
| C23 | C25 | C26 | H37 | 90.4° | 82.6° |
| C23 | C25 | C26 | H38 | 149.4° | 153.5° |
| C25 | C23 | N9 | C19 | 176.0° | 179.0° |
| C25 | C23 | C24 | N10 | 93.6° | 62.2° |
| H34 | C23 | C24 | O7 | 146.8° | 121.0° |
| H34 | C23 | C25 | C26 | 142.9° | 141.7° |
| H34 | C23 | C25 | H35 | 97.9° | 99.9° |
| H34 | C23 | C25 | H36 | 23.8° | 23.3° |
| H34 | C23 | N9 | C19 | 64.6° | 61.4° |
| H34 | C23 | C24 | N10 | 30.4° | 59.0° |
| O7 | C24 | N10 | C28 | 1.6° | 0.1° |
| O7 | C24 | N10 | H41 | 178.3° | 180.0° |
| C26 | C25 | H35 | H36 | 122.3° | 123.2° |
| C25 | C26 | C27 | H37 | 119.9° | 118.1° |
| C25 | C26 | C27 | H38 | 119.9° | 118.0° |
| C25 | C26 | H37 | H38 | 120.4° | 123.9° |
| C25 | C26 | C27 | H39 | 95.3° | 81.5° |
| C25 | C26 | C27 | H40 | 142.5° | 156.0° |
| H35 | C25 | C26 | C27 | 148.7° | 154.1° |
| H35 | C25 | C26 | H37 | 28.8° | 35.8° |
| H35 | C25 | C26 | H38 | 91.4° | 88.1° |
| H36 | C25 | C26 | C27 | 89.7° | 82.7° |
| H36 | C25 | C26 | H37 | 150.4° | 159.1° |
| H36 | C25 | C26 | H38 | 30.2° | 35.2° |
| C27 | C26 | H37 | H38 | 120.3° | 123.8° |
| C26 | C27 | H39 | H40 | 123.0° | 122.4° |
| C26 | C27 | N9 | C19 | 157.5° | 155.9° |
| H37 | C26 | C27 | H39 | 144.8° | 160.3° |
| H37 | C26 | C27 | H40 | 22.7° | 37.9° |
| H38 | C26 | C27 | H39 | 24.5° | 36.5° |
| H38 | C26 | C27 | H40 | 97.6° | 86.0° |
| H39 | C27 | N9 | C19 | 83.6° | 85.2° |
| H40 | C27 | N9 | C19 | 38.5° | 37.1° |
| C28 | N10 | H41 | C24 | 180.0° | 179.9° |
| N10 | C28 | C29 | C30 | 126.0° | 120.0° |
| N10 | C28 | C29 | H42 | 117.8° | 119.9° |
| N10 | C28 | C30 | H42 | 117.4° | 120.0° |
| N10 | C28 | C29 | O8 | 23.4° | 0.1° |
| N10 | C28 | C30 | C31 | 52.4° | 65.0° |
| N10 | C28 | C30 | H43 | 172.9° | 55.0° |
| N10 | C28 | C30 | H44 | 68.0° | 175.0° |
| N10 | C28 | C29 | N12 | 159.0° | 179.9° |
| H41 | N10 | C28 | C29 | 27.6° | 25.1° |
| H41 | N10 | C28 | C30 | 98.2° | 95.0° |
| H41 | N10 | C28 | H42 | 144.9° | 145.0° |
| C29 | C28 | C30 | H42 | 116.2° | 120.0° |
| C28 | C29 | O8 | N12 | 177.4° | 180.0° |
| C29 | C28 | C30 | C31 | 74.0° | 175.0° |
| C29 | C28 | C30 | H43 | 46.5° | 65.0° |
| C29 | C28 | C30 | H44 | 165.5° | 55.0° |
| C28 | C29 | N12 | C34 | 179.6° | 180.0° |
| C28 | C29 | N12 | H54 | 0.3° | 0.0° |
| C29 | C28 | N10 | C24 | 152.4° | 155.0° |
| C30 | C28 | C29 | O8 | 102.6° | 120.0° |
| C28 | C30 | C31 | H43 | 120.5° | 120.0° |
| C28 | C30 | C31 | H44 | 120.5° | 120.0° |
| C28 | C30 | H43 | H44 | 118.5° | 120.0° |
| C28 | C30 | C31 | C32 | 175.4° | 180.0° |
| C28 | C30 | C31 | H45 | 55.3° | 60.0° |
| C28 | C30 | C31 | H46 | 64.4° | 60.0° |
| C30 | C28 | N10 | C24 | 81.8° | 85.0° |
| C30 | C28 | C29 | N12 | 75.0° | 60.0° |
| H42 | C28 | C29 | O8 | 141.2° | 120.0° |
| H42 | C28 | C30 | C31 | 169.8° | 55.0° |
| H42 | C28 | C30 | H43 | 69.7° | 175.0° |
| H42 | C28 | C30 | H44 | 49.4° | 65.0° |
| H42 | C28 | N10 | C24 | 35.1° | 35.1° |
| H42 | C28 | C29 | N12 | 41.2° | 60.0° |
| O8 | C29 | N12 | C34 | 2.1° | 0.0° |
| O8 | C29 | N12 | H54 | 177.9° | 180.0° |
| C31 | C30 | H43 | H44 | 118.5° | 119.9° |
| C30 | C31 | C32 | H45 | 120.1° | 120.1° |
| C30 | C31 | C32 | H46 | 120.1° | 120.0° |
| C30 | C31 | H45 | H46 | 119.7° | 120.0° |
| C30 | C31 | C32 | C33 | 64.5° | 180.0° |
| C30 | C31 | C32 | H47 | 174.7° | 59.9° |
| C30 | C31 | C32 | H48 | 56.1° | 60.0° |
| H43 | C30 | C31 | C32 | 64.1° | 60.0° |
| H43 | C30 | C31 | H45 | 175.8° | 180.0° |
| H43 | C30 | C31 | H46 | 56.1° | 60.0° |
| H44 | C30 | C31 | C32 | 55.0° | 60.0° |
| H44 | C30 | C31 | H45 | 65.1° | 60.0° |
| H44 | C30 | C31 | H46 | 175.1° | 180.0° |
| C32 | C31 | H45 | H46 | 119.7° | 119.9° |
| C31 | C32 | C33 | H47 | 120.7° | 120.0° |
| C31 | C32 | C33 | H48 | 120.7° | 120.0° |
| C31 | C32 | H47 | H48 | 117.9° | 120.0° |
| C31 | C32 | C33 | N11 | 176.5° | 180.0° |
| C31 | C32 | C33 | H49 | 63.3° | 60.0° |
| C31 | C32 | C33 | H50 | 56.2° | 60.0° |
| H45 | C31 | C32 | C33 | 55.6° | 59.9° |
| H45 | C31 | C32 | H47 | 65.1° | 180.0° |
| H45 | C31 | C32 | H48 | 176.2° | 60.1° |
| H46 | C31 | C32 | C33 | 175.4° | 60.0° |
| H46 | C31 | C32 | H47 | 54.7° | 60.1° |
| H46 | C31 | C32 | H48 | 64.0° | 180.0° |
| C33 | C32 | H47 | H48 | 117.9° | 120.0° |
| C32 | C33 | N11 | H49 | 120.2° | 120.0° |
| C32 | C33 | N11 | H50 | 120.2° | 120.0° |
| C32 | C33 | H49 | H50 | 119.3° | 119.9° |
| C32 | C33 | N11 | H51 | 180.0° | 180.0° |
| C32 | C33 | N11 | H52 | 60.0° | 60.0° |
| C32 | C33 | N11 | H53 | 60.0° | 60.0° |
| H47 | C32 | C33 | N11 | 55.8° | 60.0° |
| H47 | C32 | C33 | H49 | 176.0° | 180.0° |
| H47 | C32 | C33 | H50 | 64.4° | 60.0° |
| H48 | C32 | C33 | N11 | 62.9° | 60.0° |
| H48 | C32 | C33 | H49 | 57.3° | 60.1° |
| H48 | C32 | C33 | H50 | 176.9° | 180.0° |
| N11 | C33 | H49 | H50 | 119.4° | 120.0° |
| C33 | N11 | H51 | H52 | 120.0° | 120.0° |
| C33 | N11 | H51 | H53 | 120.0° | 120.0° |
| C33 | N11 | H52 | H53 | 120.0° | 120.0° |
| H49 | C33 | N11 | H51 | 59.8° | 60.0° |
| H49 | C33 | N11 | H52 | 179.8° | 180.0° |
| H49 | C33 | N11 | H53 | 60.2° | 60.0° |
| H50 | C33 | N11 | H51 | 59.8° | 60.0° |
| H50 | C33 | N11 | H52 | 60.2° | 60.0° |
| H50 | C33 | N11 | H53 | 179.8° | 180.0° |
| H51 | N11 | H52 | H53 | 120.0° | 119.9° |
| C34 | N12 | H54 | C29 | 180.0° | 180.0° |
| N12 | C34 | C35 | C36 | 120.2° | 120.0° |
| N12 | C34 | C35 | H55 | 121.8° | 120.0° |
| N12 | C34 | C36 | H55 | 120.5° | 120.0° |
| N12 | C34 | C35 | O9 | 43.8° | 0.0° |
| N12 | C34 | C36 | C37 | 77.1° | 65.0° |
| N12 | C34 | C36 | H56 | 44.1° | 55.0° |
| N12 | C34 | C36 | H57 | 161.9° | 175.0° |
| N12 | C34 | C35 | N16 | 135.7° | 180.0° |
| H54 | N12 | C34 | C35 | 115.2° | 25.0° |
| H54 | N12 | C34 | C36 | 3.7° | 95.0° |
| H54 | N12 | C34 | H55 | 123.5° | 145.0° |
| C35 | C34 | C36 | H55 | 118.2° | 120.0° |
| C34 | C35 | O9 | N16 | 179.4° | 180.0° |
| C35 | C34 | C36 | C37 | 161.6° | 175.0° |
| C35 | C34 | C36 | H56 | 77.3° | 65.0° |
| C35 | C34 | C36 | H57 | 40.5° | 55.0° |
| C34 | C35 | N16 | C40 | 172.6° | 180.0° |
| C34 | C35 | N16 | H67 | 7.4° | 0.0° |
| C35 | C34 | N12 | C29 | 64.7° | 155.0° |
| C36 | C34 | C35 | O9 | 76.5° | 120.0° |
| C34 | C36 | C37 | H56 | 121.1° | 120.0° |
| C34 | C36 | C37 | H57 | 121.1° | 120.0° |
| C34 | C36 | H56 | H57 | 116.5° | 120.0° |
| C34 | C36 | C37 | C38 | 179.6° | 180.0° |
| C34 | C36 | C37 | H58 | 60.2° | 60.0° |
| C34 | C36 | C37 | H59 | 59.4° | 60.0° |
| C36 | C34 | N12 | C29 | 176.3° | 85.0° |
| C36 | C34 | C35 | N16 | 104.1° | 60.0° |
| H55 | C34 | C35 | O9 | 165.5° | 120.0° |
| H55 | C34 | C36 | C37 | 43.4° | 55.0° |
| H55 | C34 | C36 | H56 | 164.5° | 175.0° |
| H55 | C34 | C36 | H57 | 77.7° | 65.0° |
| H55 | C34 | N12 | C29 | 56.5° | 35.0° |
| H55 | C34 | C35 | N16 | 13.9° | 60.0° |
| O9 | C35 | N16 | C40 | 8.0° | 0.0° |
| O9 | C35 | N16 | H67 | 172.0° | 180.0° |
| C37 | C36 | H56 | H57 | 116.5° | 120.0° |
| C36 | C37 | C38 | H58 | 120.2° | 120.0° |
| C36 | C37 | C38 | H59 | 120.2° | 120.0° |
| C36 | C37 | H58 | H59 | 119.4° | 120.0° |
| C36 | C37 | C38 | N13 | 0.4° | 180.0° |
| C36 | C37 | C38 | H60 | 120.1° | 60.0° |
| C36 | C37 | C38 | H61 | 120.8° | 60.0° |
| H56 | C36 | C37 | C38 | 58.5° | 60.0° |
| H56 | C36 | C37 | H58 | 178.7° | 180.0° |
| H56 | C36 | C37 | H59 | 61.7° | 60.0° |
| H57 | C36 | C37 | C38 | 59.3° | 60.0° |
| H57 | C36 | C37 | H58 | 60.9° | 60.0° |
| H57 | C36 | C37 | H59 | 179.5° | 180.0° |
| C38 | C37 | H58 | H59 | 119.4° | 120.0° |
| C37 | C38 | N13 | H60 | 120.4° | 120.0° |
| C37 | C38 | N13 | H61 | 120.4° | 120.0° |
| C37 | C38 | H60 | H61 | 118.6° | 120.0° |
| C37 | C38 | N13 | C39 | 120.8° | 180.0° |
| C37 | C38 | N13 | H62 | 59.1° | 0.0° |
| H58 | C37 | C38 | N13 | 120.6° | 60.0° |
| H58 | C37 | C38 | H60 | 0.1° | 180.0° |
| H58 | C37 | C38 | H61 | 119.0° | 60.0° |
| H59 | C37 | C38 | N13 | 119.8° | 60.0° |
| H59 | C37 | C38 | H60 | 119.8° | 60.0° |
| H59 | C37 | C38 | H61 | 0.6° | 180.0° |
| N13 | C38 | H60 | H61 | 118.6° | 120.0° |
| C38 | N13 | C39 | H62 | 180.0° | 180.0° |
| C38 | N13 | C39 | N14 | 1.7° | 0.0° |
| C38 | N13 | C39 | N15 | 178.9° | 180.0° |
| H60 | C38 | N13 | C39 | 0.4° | 60.0° |
| H60 | C38 | N13 | H62 | 179.6° | 120.0° |
| H61 | C38 | N13 | C39 | 118.7° | 60.0° |
| H61 | C38 | N13 | H62 | 61.3° | 120.0° |
| N13 | C39 | N14 | N15 | 179.3° | 180.0° |
| N13 | C39 | N14 | H63 | 179.3° | 0.0° |
| N13 | C39 | N14 | H64 | 0.7° | 179.9° |
| N13 | C39 | N15 | H65 | 179.3° | 0.1° |
| N13 | C39 | N15 | H66 | 0.7° | 180.0° |
| H62 | N13 | C39 | N14 | 178.3° | 180.0° |
| H62 | N13 | C39 | N15 | 1.0° | 0.0° |
| C39 | N14 | H63 | H64 | 180.0° | 179.9° |
| N14 | C39 | N15 | H65 | 0.0° | 180.0° |
| N14 | C39 | N15 | H66 | 180.0° | 0.0° |
| N15 | C39 | N14 | H63 | 0.0° | 180.0° |
| N15 | C39 | N14 | H64 | 180.0° | 0.0° |
| C39 | N15 | H65 | H66 | 180.0° | 179.9° |
| C40 | N16 | H67 | C35 | 180.0° | 180.0° |
| N16 | C40 | C41 | C42 | 121.1° | 120.1° |
| N16 | C40 | C41 | H68 | 118.8° | 119.9° |
| N16 | C40 | C42 | H68 | 118.8° | 120.0° |
| N16 | C40 | C41 | O10 | 59.1° | 0.1° |
| N16 | C40 | C42 | C43 | 87.2° | 60.0° |
| N16 | C40 | C42 | C44 | 145.2° | 60.0° |
| N16 | C40 | C42 | H69 | 28.2° | 180.0° |
| N16 | C40 | C41 | N17 | 120.0° | 180.0° |
| H67 | N16 | C40 | C41 | 124.7° | 25.0° |
| H67 | N16 | C40 | C42 | 1.2° | 95.0° |
| H67 | N16 | C40 | H68 | 117.0° | 145.0° |
| C41 | C40 | C42 | H68 | 120.2° | 119.9° |
| C40 | C41 | O10 | N17 | 179.0° | 179.9° |
| C41 | C40 | C42 | C43 | 151.8° | 60.1° |
| C41 | C40 | C42 | C44 | 24.2° | 180.0° |
| C41 | C40 | C42 | H69 | 92.8° | 60.0° |
| C40 | C41 | N17 | C46 | 173.3° | 180.0° |
| C40 | C41 | N17 | H78 | 6.7° | 0.1° |
| C41 | C40 | N16 | C35 | 55.3° | 155.0° |
| C42 | C40 | C41 | O10 | 62.0° | 120.0° |
| C40 | C42 | C43 | C44 | 126.2° | 119.9° |
| C40 | C42 | C43 | H69 | 115.4° | 120.0° |
| C40 | C42 | C44 | H69 | 116.8° | 120.0° |
| C40 | C42 | C43 | C45 | 166.2° | 175.0° |
| C40 | C42 | C43 | H70 | 73.3° | 65.0° |
| C40 | C42 | C43 | H71 | 45.7° | 55.1° |
| C40 | C42 | C44 | H72 | 180.0° | 180.0° |
| C40 | C42 | C44 | H73 | 60.0° | 60.1° |
| C40 | C42 | C44 | H74 | 60.0° | 60.0° |
| C42 | C40 | N16 | C35 | 178.9° | 85.0° |
| C42 | C40 | C41 | N17 | 118.9° | 59.9° |
| H68 | C40 | C41 | O10 | 177.9° | 120.0° |
| H68 | C40 | C42 | C43 | 31.6° | 180.0° |
| H68 | C40 | C42 | C44 | 96.0° | 60.0° |
| H68 | C40 | C42 | H69 | 147.0° | 60.0° |
| H68 | C40 | N16 | C35 | 62.9° | 35.1° |
| H68 | C40 | C41 | N17 | 1.2° | 60.1° |
| O10 | C41 | N17 | C46 | 5.8° | 0.1° |
| O10 | C41 | N17 | H78 | 174.2° | 180.0° |
| C43 | C42 | C44 | H69 | 118.4° | 120.1° |
| C42 | C43 | C45 | H70 | 120.5° | 120.0° |
| C42 | C43 | C45 | H71 | 120.5° | 120.0° |
| C42 | C43 | H70 | H71 | 118.4° | 120.0° |
| C43 | C42 | C44 | H72 | 55.2° | 60.0° |
| C43 | C42 | C44 | H73 | 175.2° | 180.0° |
| C43 | C42 | C44 | H74 | 64.8° | 60.0° |
| C42 | C43 | C45 | H75 | 180.0° | 60.0° |
| C42 | C43 | C45 | H76 | 60.0° | 60.0° |
| C42 | C43 | C45 | H77 | 60.0° | 180.0° |
| C44 | C42 | C43 | C45 | 67.6° | 65.0° |
| C44 | C42 | C43 | H70 | 52.9° | 55.0° |
| C44 | C42 | C43 | H71 | 171.9° | 175.0° |
| C42 | C44 | H72 | H73 | 120.0° | 119.9° |
| C42 | C44 | H72 | H74 | 120.0° | 120.0° |
| C42 | C44 | H73 | H74 | 120.0° | 120.0° |
| H69 | C42 | C43 | C45 | 50.8° | 55.0° |
| H69 | C42 | C43 | H70 | 171.3° | 175.0° |
| H69 | C42 | C43 | H71 | 69.7° | 65.0° |
| H69 | C42 | C44 | H72 | 63.1° | 60.0° |
| H69 | C42 | C44 | H73 | 56.8° | 59.9° |
| H69 | C42 | C44 | H74 | 176.9° | 180.0° |
| C45 | C43 | H70 | H71 | 118.4° | 120.0° |
| C43 | C45 | H75 | H76 | 120.0° | 120.0° |
| C43 | C45 | H75 | H77 | 120.0° | 120.1° |
| C43 | C45 | H76 | H77 | 120.0° | 120.0° |
| H70 | C43 | C45 | H75 | 59.5° | 180.0° |
| H70 | C43 | C45 | H76 | 179.5° | 60.0° |
| H70 | C43 | C45 | H77 | 60.5° | 60.0° |
| H71 | C43 | C45 | H75 | 59.5° | 60.0° |
| H71 | C43 | C45 | H76 | 60.5° | 180.0° |
| H71 | C43 | C45 | H77 | 179.5° | 60.0° |
| H72 | C44 | H73 | H74 | 120.0° | 120.0° |
| H75 | C45 | H76 | H77 | 120.0° | 120.0° |
| C46 | N17 | H78 | C41 | 180.0° | 180.0° |
| N17 | C46 | C47 | C48 | 123.1° | 120.0° |
| N17 | C46 | C47 | H79 | 118.5° | 120.0° |
| N17 | C46 | C48 | H79 | 119.0° | 120.0° |
| N17 | C46 | C47 | O11 | 37.1° | 0.0° |
| N17 | C46 | C48 | H80 | 180.0° | 60.0° |
| N17 | C46 | C48 | H81 | 60.0° | 179.9° |
| N17 | C46 | C48 | H82 | 60.0° | 60.0° |
| N17 | C46 | C47 | N18 | 142.3° | 180.0° |
| H78 | N17 | C46 | C47 | 99.8° | 25.0° |
| H78 | N17 | C46 | C48 | 23.9° | 95.0° |
| H78 | N17 | C46 | H79 | 142.3° | 145.0° |
| C47 | C46 | C48 | H79 | 118.4° | 120.0° |
| C46 | C47 | O11 | N18 | 179.3° | 180.0° |
| C47 | C46 | C48 | H80 | 57.4° | 60.0° |
| C47 | C46 | C48 | H81 | 177.4° | 60.0° |
| C47 | C46 | C48 | H82 | 62.6° | 179.9° |
| C46 | C47 | N18 | H83 | 179.3° | 0.0° |
| C46 | C47 | N18 | H84 | 0.7° | 179.9° |
| C47 | C46 | N17 | C41 | 80.2° | 155.0° |
| C48 | C46 | C47 | O11 | 86.0° | 120.0° |
| C46 | C48 | H80 | H81 | 120.0° | 120.0° |
| C46 | C48 | H80 | H82 | 120.0° | 120.0° |
| C46 | C48 | H81 | H82 | 120.0° | 120.0° |
| C48 | C46 | N17 | C41 | 156.1° | 85.0° |
| C48 | C46 | C47 | N18 | 94.6° | 60.0° |
| H79 | C46 | C47 | O11 | 155.6° | 120.0° |
| H79 | C46 | C48 | H80 | 61.0° | 180.0° |
| H79 | C46 | C48 | H81 | 59.0° | 60.0° |
| H79 | C46 | C48 | H82 | 179.0° | 60.0° |
| H79 | C46 | N17 | C41 | 37.7° | 35.0° |
| H79 | C46 | C47 | N18 | 23.8° | 60.0° |
| O11 | C47 | N18 | H83 | 0.0° | 180.0° |
| O11 | C47 | N18 | H84 | 180.0° | 0.1° |
| H80 | C48 | H81 | H82 | 120.0° | 120.0° |
| H83 | N18 | H84 | C47 | 180.0° | 179.9° |
