PRD_002359
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.44Å | |
| N1 | C1 | sing | 1.35Å | 1.41Å | |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | O2 | doub | 1.21Å | 1.19Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| N2 | C10 | sing | 1.46Å | 1.40Å | |
| F1 | C16 | sing | 1.35Å | 1.32Å | |
| F2 | C17 | sing | 1.35Å | 1.33Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N3 | C18 | sing | 1.47Å | 1.41Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.50Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | O3 | doub | 1.21Å | 1.20Å | |
| C20 | O4 | sing | 1.45Å | 1.41Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | C21 | sing | 1.47Å | 1.32Å | |
| N4 | C25 | sing | 1.47Å | 1.61Å | |
| C21 | C22 | sing | 1.50Å | 1.53Å | |
| C21 | C23 | sing | 1.54Å | 1.59Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | O5 | doub | 1.21Å | 1.21Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.54Å | 1.34Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | O6 | doub | 1.21Å | 1.21Å | |
| C26 | C27 | sing | 1.51Å | 1.49Å | |
| N5 | C27 | sing | 1.47Å | 1.46Å | |
| N5 | C30 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C31 | sing | 1.52Å | 1.51Å | |
| C29 | C30 | sing | 1.52Å | 1.51Å | |
| C29 | C31 | sing | 1.52Å | 1.50Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| N6 | C32 | sing | 1.48Å | 1.43Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C32 | C34 | sing | 1.53Å | 1.52Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | O7 | doub | 1.21Å | 1.21Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | O8 | doub | 1.21Å | 1.21Å | |
| C35 | C36 | sing | 1.50Å | 1.56Å | |
| N7 | C36 | sing | 1.46Å | 1.63Å | |
| N7 | C38 | sing | 1.46Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.34Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | C40 | sing | 1.54Å | 1.65Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | C40 | sing | 1.54Å | 1.38Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C1 | N2 | sing | 1.35Å | 1.43Å | |
| C9 | N3 | sing | 1.35Å | 1.45Å | |
| O4 | C35 | sing | 1.34Å | 1.44Å | |
| C19 | N4 | sing | 1.34Å | 1.44Å | |
| C22 | N5 | sing | 1.34Å | 1.46Å | |
| C26 | N6 | sing | 1.37Å | 1.45Å | |
| C33 | N7 | sing | 1.35Å | 1.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 119.2° | 119.9° |
| C6 | C5 | C7 | 120.0° | 119.9° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C4 | C5 | C7 | 120.8° | 120.2° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C5 | C4 | H3 | 119.7° | 120.0° |
| C5 | C7 | C8 | 119.2° | 120.0° |
| C5 | C7 | H7 | 120.4° | 120.0° |
| C4 | C3 | C2 | 118.6° | 119.9° |
| C4 | C3 | H2 | 120.7° | 120.1° |
| C3 | C4 | H3 | 119.7° | 119.9° |
| C7 | C8 | C2 | 119.1° | 119.9° |
| C8 | C7 | H7 | 120.4° | 120.0° |
| C7 | C8 | H8 | 120.4° | 120.0° |
| C3 | C2 | C8 | 121.6° | 119.9° |
| C3 | C2 | N1 | 119.8° | 120.1° |
| C2 | C3 | H2 | 120.7° | 120.0° |
| C8 | C2 | N1 | 118.3° | 120.1° |
| C2 | C8 | H8 | 120.5° | 120.1° |
| C2 | N1 | C1 | 124.5° | 120.0° |
| C2 | N1 | H1 | 117.8° | 120.0° |
| N1 | C1 | O1 | 122.6° | 120.0° |
| C1 | N1 | H1 | 117.7° | 120.0° |
| N1 | C1 | N2 | 112.7° | 120.0° |
| O1 | C1 | N2 | 124.6° | 120.0° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| O2 | C9 | C10 | 120.5° | 120.0° |
| O2 | C9 | N3 | 120.7° | 120.0° |
| C9 | C10 | N2 | 103.6° | 109.4° |
| C9 | C10 | C11 | 110.9° | 109.4° |
| C9 | C10 | H10 | 110.0° | 109.5° |
| C10 | C9 | N3 | 118.9° | 120.0° |
| N2 | C10 | C11 | 109.9° | 109.5° |
| C10 | N2 | H9 | 118.8° | 120.0° |
| N2 | C10 | H10 | 112.0° | 109.5° |
| C10 | N2 | C1 | 122.4° | 120.0° |
| F1 | C16 | C13 | 119.5° | 120.0° |
| F1 | C16 | C14 | 119.1° | 120.0° |
| F2 | C17 | C13 | 120.4° | 120.1° |
| F2 | C17 | C15 | 117.8° | 120.0° |
| C10 | C11 | C12 | 112.5° | 109.4° |
| C11 | C10 | H10 | 110.3° | 109.4° |
| C10 | C11 | H11 | 108.7° | 109.5° |
| C10 | C11 | H12 | 108.7° | 109.5° |
| C11 | C12 | C14 | 121.8° | 120.0° |
| C11 | C12 | C15 | 119.9° | 120.0° |
| C12 | C11 | H11 | 108.7° | 109.5° |
| C12 | C11 | H12 | 108.7° | 109.5° |
| C14 | C12 | C15 | 118.3° | 120.0° |
| C12 | C14 | C16 | 120.4° | 120.0° |
| C12 | C14 | H14 | 119.8° | 120.0° |
| C12 | C15 | C17 | 120.6° | 120.0° |
| C12 | C15 | H15 | 119.7° | 120.0° |
| C16 | C13 | C17 | 117.6° | 120.0° |
| C13 | C16 | C14 | 121.3° | 120.0° |
| C16 | C13 | H13 | 121.2° | 120.0° |
| C13 | C17 | C15 | 121.8° | 120.0° |
| C17 | C13 | H13 | 121.2° | 120.0° |
| C16 | C14 | H14 | 119.8° | 120.0° |
| C17 | C15 | H15 | 119.7° | 120.0° |
| H9 | N2 | C1 | 118.8° | 120.0° |
| H11 | C11 | H12 | 109.4° | 109.5° |
| C18 | N3 | H16 | 119.1° | 120.0° |
| N3 | C18 | C19 | 111.9° | 109.4° |
| N3 | C18 | C20 | 108.6° | 109.5° |
| N3 | C18 | H17 | 110.6° | 109.4° |
| C18 | N3 | C9 | 121.8° | 120.0° |
| H16 | N3 | C9 | 119.1° | 120.0° |
| C19 | C18 | C20 | 107.4° | 109.5° |
| C19 | C18 | H17 | 108.9° | 109.5° |
| C18 | C19 | O3 | 121.1° | 119.8° |
| C18 | C19 | N4 | 118.0° | 120.5° |
| C20 | C18 | H17 | 109.3° | 109.5° |
| C18 | C20 | O4 | 102.7° | 109.8° |
| C18 | C20 | H18 | 111.1° | 109.4° |
| C18 | C20 | H19 | 111.1° | 109.4° |
| O3 | C19 | N4 | 120.8° | 119.7° |
| O4 | C20 | H18 | 111.1° | 109.4° |
| O4 | C20 | H19 | 111.1° | 109.4° |
| C20 | O4 | C35 | 121.6° | 117.3° |
| H18 | C20 | H19 | 109.5° | 109.4° |
| C21 | N4 | C25 | 108.9° | 108.5° |
| N4 | C21 | C22 | 108.9° | 109.6° |
| N4 | C21 | C23 | 106.5° | 107.1° |
| N4 | C21 | H20 | 114.7° | 109.7° |
| C21 | N4 | C19 | 124.2° | 125.5° |
| N4 | C25 | C24 | 105.8° | 107.8° |
| N4 | C25 | H25 | 110.4° | 109.8° |
| N4 | C25 | H26 | 110.4° | 109.9° |
| C25 | N4 | C19 | 126.8° | 125.9° |
| C22 | C21 | C23 | 104.6° | 111.5° |
| C22 | C21 | H20 | 111.2° | 110.1° |
| C21 | C22 | O5 | 122.9° | 118.0° |
| C21 | C22 | N5 | 122.4° | 124.0° |
| C23 | C21 | H20 | 110.3° | 108.9° |
| C21 | C23 | C24 | 102.2° | 104.2° |
| C21 | C23 | H21 | 111.3° | 110.5° |
| C21 | C23 | H22 | 111.3° | 110.5° |
| O5 | C22 | N5 | 114.7° | 118.0° |
| C24 | C23 | H21 | 111.3° | 110.4° |
| C24 | C23 | H22 | 111.3° | 110.5° |
| C23 | C24 | C25 | 106.7° | 106.4° |
| C23 | C24 | H23 | 110.1° | 110.1° |
| C23 | C24 | H24 | 110.2° | 110.1° |
| H21 | C23 | H22 | 109.5° | 110.5° |
| C25 | C24 | H23 | 110.2° | 110.1° |
| C25 | C24 | H24 | 110.2° | 110.1° |
| C24 | C25 | H25 | 110.4° | 109.8° |
| C24 | C25 | H26 | 110.4° | 109.8° |
| H23 | C24 | H24 | 109.5° | 110.1° |
| H25 | C25 | H26 | 109.5° | 109.8° |
| O6 | C26 | C27 | 120.0° | 121.0° |
| O6 | C26 | N6 | 119.6° | 121.0° |
| C26 | C27 | N5 | 110.8° | 109.7° |
| C26 | C27 | C28 | 108.7° | 110.4° |
| C26 | C27 | H27 | 110.1° | 109.3° |
| C27 | C26 | N6 | 120.4° | 118.0° |
| C27 | N5 | C30 | 118.2° | 119.3° |
| N5 | C27 | C28 | 107.1° | 109.1° |
| N5 | C27 | H27 | 110.5° | 108.9° |
| C27 | N5 | C22 | 124.5° | 119.7° |
| N5 | C30 | C29 | 105.9° | 109.6° |
| N5 | C30 | H32 | 110.4° | 109.5° |
| N5 | C30 | H33 | 110.4° | 109.4° |
| C30 | N5 | C22 | 116.9° | 121.1° |
| C27 | C28 | C31 | 113.7° | 109.7° |
| C28 | C27 | H27 | 109.5° | 109.5° |
| C27 | C28 | H28 | 108.4° | 109.4° |
| C27 | C28 | H29 | 108.4° | 109.5° |
| C28 | C31 | C29 | 115.1° | 112.8° |
| C31 | C28 | H28 | 108.4° | 109.4° |
| C31 | C28 | H29 | 108.4° | 109.4° |
| C28 | C31 | H34 | 108.0° | 108.9° |
| C28 | C31 | H35 | 108.0° | 108.8° |
| C30 | C29 | C31 | 112.7° | 112.9° |
| C30 | C29 | H30 | 108.6° | 108.8° |
| C30 | C29 | H31 | 108.7° | 108.8° |
| C29 | C30 | H32 | 110.4° | 109.4° |
| C29 | C30 | H33 | 110.4° | 109.5° |
| C31 | C29 | H30 | 108.7° | 108.8° |
| C31 | C29 | H31 | 108.7° | 108.8° |
| C29 | C31 | H34 | 108.1° | 108.8° |
| C29 | C31 | H35 | 108.0° | 108.8° |
| H28 | C28 | H29 | 109.5° | 109.4° |
| H30 | C29 | H31 | 109.5° | 108.7° |
| H32 | C30 | H33 | 109.5° | 109.4° |
| H34 | C31 | H35 | 109.5° | 108.7° |
| C32 | N6 | H36 | 120.6° | 122.7° |
| N6 | C32 | C33 | 115.9° | 108.1° |
| N6 | C32 | C34 | 103.3° | 109.7° |
| N6 | C32 | H37 | 109.2° | 109.7° |
| C32 | N6 | C26 | 118.7° | 114.6° |
| H36 | N6 | C26 | 120.6° | 122.7° |
| C33 | C32 | C34 | 112.0° | 109.7° |
| C33 | C32 | H37 | 108.2° | 109.7° |
| C32 | C33 | O7 | 121.6° | 119.9° |
| C32 | C33 | N7 | 117.3° | 120.1° |
| C34 | C32 | H37 | 107.9° | 109.8° |
| C32 | C34 | H38 | 109.5° | 109.5° |
| C32 | C34 | H39 | 109.5° | 109.5° |
| C32 | C34 | H40 | 109.5° | 109.4° |
| O7 | C33 | N7 | 121.0° | 119.9° |
| H38 | C34 | H39 | 109.5° | 109.5° |
| H38 | C34 | H40 | 109.5° | 109.5° |
| H39 | C34 | H40 | 109.4° | 109.5° |
| O8 | C35 | C36 | 120.2° | 119.7° |
| O8 | C35 | O4 | 124.3° | 119.8° |
| C35 | C36 | N7 | 111.6° | 110.1° |
| C35 | C36 | C37 | 110.5° | 110.1° |
| C35 | C36 | H41 | 109.2° | 109.7° |
| C36 | C35 | O4 | 115.5° | 120.5° |
| C36 | N7 | C38 | 105.2° | 109.3° |
| N7 | C36 | C37 | 104.7° | 108.0° |
| N7 | C36 | H41 | 108.3° | 109.5° |
| C36 | N7 | C33 | 126.8° | 125.4° |
| N7 | C38 | C40 | 106.2° | 107.7° |
| N7 | C38 | H44 | 110.3° | 109.9° |
| N7 | C38 | H45 | 110.3° | 109.9° |
| C38 | N7 | C33 | 128.0° | 125.2° |
| C37 | C36 | H41 | 112.5° | 109.5° |
| C36 | C37 | C40 | 104.4° | 106.4° |
| C36 | C37 | H42 | 110.7° | 110.1° |
| C36 | C37 | H43 | 110.7° | 110.1° |
| C40 | C37 | H42 | 110.8° | 110.1° |
| C40 | C37 | H43 | 110.7° | 110.1° |
| C37 | C40 | C38 | 107.6° | 104.9° |
| C37 | C40 | C39 | 108.9° | 110.3° |
| C37 | C40 | H49 | 107.3° | 110.4° |
| H42 | C37 | H43 | 109.5° | 110.0° |
| C40 | C38 | H44 | 110.3° | 109.8° |
| C40 | C38 | H45 | 110.3° | 109.7° |
| C38 | C40 | C39 | 113.3° | 110.3° |
| C38 | C40 | H49 | 110.7° | 110.4° |
| H44 | C38 | H45 | 109.4° | 109.8° |
| C40 | C39 | H46 | 109.5° | 109.5° |
| C40 | C39 | H47 | 109.5° | 109.5° |
| C40 | C39 | H48 | 109.5° | 109.5° |
| C39 | C40 | H49 | 108.9° | 110.3° |
| H46 | C39 | H47 | 109.5° | 109.4° |
| H46 | C39 | H48 | 109.4° | 109.5° |
| H47 | C39 | H48 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | C7 | 179.3° | 180.0° |
| C6 | C5 | C4 | C3 | 180.0° | 179.9° |
| C6 | C5 | C7 | C8 | 179.7° | 179.7° |
| C6 | C5 | C4 | H3 | 0.0° | 0.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H6 | 120.0° | 120.0° |
| C5 | C6 | H5 | H6 | 120.0° | 119.9° |
| C6 | C5 | C7 | H7 | 0.3° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C7 | C8 | 1.0° | 0.3° |
| C5 | C4 | C3 | C2 | 1.6° | 0.1° |
| C5 | C4 | C3 | H2 | 178.4° | 180.0° |
| C4 | C5 | C6 | H4 | 89.7° | 90.0° |
| C4 | C5 | C6 | H5 | 150.3° | 150.0° |
| C4 | C5 | C6 | H6 | 30.4° | 30.1° |
| C4 | C5 | C7 | H7 | 179.0° | 180.0° |
| C7 | C5 | C4 | C3 | 0.7° | 0.0° |
| C5 | C7 | C8 | H7 | 180.0° | 179.7° |
| C5 | C7 | C8 | C2 | 2.2° | 0.6° |
| C7 | C5 | C4 | H3 | 179.3° | 180.0° |
| C7 | C5 | C6 | H4 | 89.6° | 90.0° |
| C7 | C5 | C6 | H5 | 30.4° | 30.1° |
| C7 | C5 | C6 | H6 | 150.3° | 150.0° |
| C5 | C7 | C8 | H8 | 177.8° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | C8 | 2.8° | 0.3° |
| C4 | C3 | C2 | N1 | 176.5° | 180.0° |
| C7 | C8 | C2 | C3 | 3.1° | 0.6° |
| C7 | C8 | C2 | H8 | 180.0° | 179.4° |
| C7 | C8 | C2 | N1 | 176.9° | 179.7° |
| C3 | C2 | C8 | N1 | 173.7° | 179.7° |
| C3 | C2 | N1 | C1 | 132.6° | 35.3° |
| C3 | C2 | N1 | H1 | 47.4° | 144.8° |
| C2 | C3 | C4 | H3 | 178.4° | 180.0° |
| C3 | C2 | C8 | H8 | 176.8° | 180.0° |
| C8 | C2 | N1 | C1 | 53.6° | 145.0° |
| C8 | C2 | N1 | H1 | 126.4° | 34.9° |
| C8 | C2 | C3 | H2 | 177.2° | 179.7° |
| C2 | C8 | C7 | H7 | 177.8° | 179.7° |
| C2 | N1 | C1 | H1 | 180.0° | 179.9° |
| C2 | N1 | C1 | O1 | 4.7° | 5.0° |
| N1 | C2 | C3 | H2 | 3.5° | 0.0° |
| N1 | C2 | C8 | H8 | 3.1° | 0.3° |
| C2 | N1 | C1 | N2 | 177.3° | 175.3° |
| N1 | C1 | O1 | N2 | 177.8° | 179.7° |
| N1 | C1 | N2 | C10 | 178.9° | 179.7° |
| N1 | C1 | N2 | H9 | 1.1° | 0.3° |
| O1 | C1 | N1 | H1 | 175.4° | 175.1° |
| O1 | C1 | N2 | C10 | 0.9° | 0.0° |
| O1 | C1 | N2 | H9 | 179.2° | 180.0° |
| H1 | N1 | C1 | N2 | 2.7° | 4.6° |
| H2 | C3 | C4 | H3 | 1.6° | 0.1° |
| H4 | C6 | H5 | H6 | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 2.2° | 0.3° |
| O2 | C9 | C10 | N3 | 178.3° | 180.0° |
| O2 | C9 | C10 | N2 | 99.4° | 0.0° |
| O2 | C9 | C10 | C11 | 18.4° | 120.0° |
| O2 | C9 | C10 | H10 | 140.7° | 120.0° |
| O2 | C9 | N3 | C18 | 0.6° | 0.1° |
| O2 | C9 | N3 | H16 | 179.4° | 180.0° |
| C9 | C10 | N2 | C11 | 118.5° | 120.0° |
| C9 | C10 | N2 | H10 | 118.5° | 120.1° |
| C9 | C10 | C11 | H10 | 122.2° | 120.0° |
| C9 | C10 | C11 | C12 | 169.7° | 175.0° |
| C9 | C10 | N2 | H9 | 100.2° | 25.0° |
| C9 | C10 | C11 | H11 | 69.8° | 65.0° |
| C9 | C10 | C11 | H12 | 49.3° | 55.0° |
| C10 | C9 | N3 | C18 | 178.9° | 180.0° |
| C10 | C9 | N3 | H16 | 1.1° | 0.0° |
| C9 | C10 | N2 | C1 | 79.8° | 155.0° |
| N2 | C10 | C11 | H10 | 123.9° | 120.0° |
| N2 | C10 | C11 | C12 | 76.4° | 65.0° |
| C10 | N2 | H9 | C1 | 180.0° | 180.0° |
| N2 | C10 | C11 | H11 | 44.1° | 55.0° |
| N2 | C10 | C11 | H12 | 163.2° | 175.0° |
| N2 | C10 | C9 | N3 | 78.9° | 180.0° |
| F1 | C16 | C14 | C12 | 179.6° | 180.0° |
| F1 | C16 | C13 | C14 | 178.2° | 180.0° |
| F1 | C16 | C13 | C17 | 179.7° | 179.7° |
| F1 | C16 | C13 | H13 | 0.3° | 0.0° |
| F1 | C16 | C14 | H14 | 0.4° | 0.1° |
| F2 | C17 | C15 | C12 | 179.7° | 179.7° |
| F2 | C17 | C13 | C16 | 178.6° | 180.0° |
| F2 | C17 | C13 | C15 | 178.3° | 179.7° |
| F2 | C17 | C13 | H13 | 1.4° | 0.3° |
| F2 | C17 | C15 | H15 | 0.3° | 0.2° |
| C10 | C11 | C12 | H11 | 120.5° | 120.0° |
| C10 | C11 | C12 | H12 | 120.5° | 120.0° |
| C10 | C11 | C12 | C14 | 85.4° | 90.0° |
| C10 | C11 | C12 | C15 | 94.5° | 90.3° |
| C11 | C10 | N2 | H9 | 18.3° | 95.0° |
| C10 | C11 | H11 | H12 | 118.6° | 120.1° |
| C11 | C10 | N2 | C1 | 161.7° | 85.0° |
| C11 | C10 | C9 | N3 | 163.2° | 60.0° |
| C11 | C12 | C14 | C15 | 180.0° | 179.7° |
| C11 | C12 | C14 | C16 | 178.9° | 180.0° |
| C11 | C12 | C15 | C17 | 179.3° | 180.0° |
| C12 | C11 | C10 | H10 | 47.6° | 55.0° |
| C12 | C11 | H11 | H12 | 118.6° | 120.0° |
| C11 | C12 | C14 | H14 | 1.1° | 0.1° |
| C11 | C12 | C15 | H15 | 0.7° | 0.1° |
| C12 | C14 | C16 | C13 | 2.2° | 0.0° |
| C12 | C14 | C16 | H14 | 180.0° | 180.0° |
| C14 | C12 | C15 | C17 | 0.7° | 0.3° |
| C14 | C12 | C11 | H11 | 154.1° | 30.0° |
| C14 | C12 | C11 | H12 | 35.0° | 150.0° |
| C14 | C12 | C15 | H15 | 179.3° | 179.8° |
| C12 | C15 | C17 | C13 | 1.4° | 0.0° |
| C15 | C12 | C14 | C16 | 1.0° | 0.3° |
| C12 | C15 | C17 | H15 | 180.0° | 179.9° |
| C15 | C12 | C11 | H11 | 25.9° | 149.7° |
| C15 | C12 | C11 | H12 | 145.0° | 29.7° |
| C15 | C12 | C14 | H14 | 179.0° | 179.8° |
| C16 | C13 | C17 | H13 | 180.0° | 179.7° |
| C16 | C13 | C17 | C15 | 0.3° | 0.3° |
| C13 | C16 | C14 | H14 | 177.8° | 179.9° |
| C17 | C13 | C16 | C14 | 1.5° | 0.3° |
| C13 | C17 | C15 | H15 | 178.6° | 180.0° |
| C14 | C16 | C13 | H13 | 178.5° | 180.0° |
| C15 | C17 | C13 | H13 | 179.7° | 180.0° |
| H9 | N2 | C10 | H10 | 141.2° | 145.1° |
| H10 | C10 | C11 | H11 | 168.1° | 175.0° |
| H10 | C10 | C11 | H12 | 72.9° | 65.0° |
| H10 | C10 | N2 | C1 | 38.8° | 34.9° |
| H10 | C10 | C9 | N3 | 40.9° | 60.0° |
| C18 | N3 | H16 | C9 | 180.0° | 179.9° |
| N3 | C18 | C19 | C20 | 119.2° | 120.0° |
| N3 | C18 | C19 | H17 | 122.6° | 120.0° |
| N3 | C18 | C20 | H17 | 120.8° | 119.9° |
| N3 | C18 | C19 | O3 | 36.7° | 52.3° |
| N3 | C18 | C20 | O4 | 73.0° | 62.7° |
| N3 | C18 | C20 | H18 | 45.9° | 177.2° |
| N3 | C18 | C20 | H19 | 168.1° | 57.4° |
| N3 | C18 | C19 | N4 | 144.4° | 127.7° |
| H16 | N3 | C18 | C19 | 61.0° | 25.0° |
| H16 | N3 | C18 | C20 | 57.5° | 95.0° |
| H16 | N3 | C18 | H17 | 177.5° | 145.0° |
| C19 | C18 | C20 | H17 | 118.0° | 120.1° |
| C18 | C19 | O3 | N4 | 178.8° | 180.0° |
| C19 | C18 | C20 | O4 | 165.8° | 57.2° |
| C19 | C18 | C20 | H18 | 75.3° | 62.8° |
| C19 | C18 | C20 | H19 | 46.9° | 177.4° |
| C18 | C19 | N4 | C21 | 1.2° | 172.6° |
| C18 | C19 | N4 | C25 | 179.2° | 6.8° |
| C19 | C18 | N3 | C9 | 119.0° | 155.1° |
| C20 | C18 | C19 | O3 | 82.4° | 67.7° |
| C18 | C20 | O4 | H18 | 118.9° | 120.0° |
| C18 | C20 | O4 | H19 | 118.9° | 120.1° |
| C18 | C20 | H18 | H19 | 123.1° | 119.9° |
| C20 | C18 | N3 | C9 | 122.5° | 84.9° |
| C18 | C20 | O4 | C35 | 95.7° | 162.1° |
| C20 | C18 | C19 | N4 | 96.4° | 112.4° |
| H17 | C18 | C19 | O3 | 159.3° | 172.2° |
| H17 | C18 | C20 | O4 | 47.8° | 177.3° |
| H17 | C18 | C20 | H18 | 166.8° | 57.3° |
| H17 | C18 | C20 | H19 | 71.1° | 62.5° |
| H17 | C18 | N3 | C9 | 2.5° | 35.0° |
| H17 | C18 | C19 | N4 | 21.8° | 7.7° |
| O3 | C19 | N4 | C21 | 179.9° | 7.5° |
| O3 | C19 | N4 | C25 | 0.3° | 173.2° |
| O4 | C20 | H18 | H19 | 123.1° | 119.9° |
| C20 | O4 | C35 | O8 | 2.7° | 0.4° |
| C20 | O4 | C35 | C36 | 174.8° | 179.5° |
| H18 | C20 | O4 | C35 | 145.3° | 77.9° |
| H19 | C20 | O4 | C35 | 23.2° | 42.0° |
| C21 | N4 | C25 | C19 | 179.7° | 179.4° |
| N4 | C21 | C22 | C23 | 113.5° | 118.4° |
| N4 | C21 | C22 | H20 | 127.4° | 120.7° |
| N4 | C21 | C23 | H20 | 125.1° | 118.5° |
| N4 | C21 | C22 | O5 | 27.7° | 13.0° |
| N4 | C21 | C23 | C24 | 22.2° | 23.8° |
| N4 | C21 | C23 | H21 | 141.0° | 94.8° |
| N4 | C21 | C23 | H22 | 96.6° | 142.5° |
| C21 | N4 | C25 | C24 | 14.4° | 14.5° |
| C21 | N4 | C25 | H25 | 105.0° | 105.1° |
| C21 | N4 | C25 | H26 | 133.9° | 134.1° |
| N4 | C21 | C22 | N5 | 151.0° | 166.9° |
| C25 | N4 | C21 | C22 | 106.2° | 145.3° |
| C25 | N4 | C21 | C23 | 6.1° | 24.2° |
| C25 | N4 | C21 | H20 | 128.5° | 93.8° |
| N4 | C25 | C24 | C23 | 28.6° | 0.8° |
| N4 | C25 | C24 | H25 | 119.4° | 119.6° |
| N4 | C25 | C24 | H26 | 119.4° | 119.6° |
| N4 | C25 | C24 | H23 | 90.9° | 120.1° |
| N4 | C25 | C24 | H24 | 148.2° | 118.5° |
| N4 | C25 | H25 | H26 | 121.7° | 120.9° |
| C22 | C21 | C23 | H20 | 119.7° | 121.6° |
| C21 | C22 | O5 | N5 | 178.8° | 180.0° |
| C22 | C21 | C23 | C24 | 93.1° | 143.7° |
| C22 | C21 | C23 | H21 | 25.7° | 25.0° |
| C22 | C21 | C23 | H22 | 148.1° | 97.7° |
| C21 | C22 | N5 | C27 | 4.2° | 161.4° |
| C21 | C22 | N5 | C30 | 176.5° | 19.6° |
| C22 | C21 | N4 | C19 | 73.5° | 34.1° |
| C23 | C21 | C22 | O5 | 85.9° | 131.4° |
| C21 | C23 | C24 | H21 | 118.8° | 118.7° |
| C21 | C23 | C24 | H22 | 118.8° | 118.7° |
| C21 | C23 | H21 | H22 | 123.4° | 122.6° |
| C21 | C23 | C24 | C25 | 31.9° | 14.7° |
| C21 | C23 | C24 | H23 | 87.6° | 134.0° |
| C21 | C23 | C24 | H24 | 151.5° | 104.5° |
| C23 | C21 | N4 | C19 | 174.2° | 155.2° |
| C23 | C21 | C22 | N5 | 95.5° | 48.5° |
| H20 | C21 | C22 | O5 | 155.0° | 107.7° |
| H20 | C21 | C23 | C24 | 147.2° | 94.7° |
| H20 | C21 | C23 | H21 | 94.0° | 146.7° |
| H20 | C21 | C23 | H22 | 28.4° | 24.0° |
| H20 | C21 | N4 | C19 | 51.9° | 86.8° |
| H20 | C21 | C22 | N5 | 23.6° | 72.4° |
| O5 | C22 | N5 | C27 | 177.0° | 18.6° |
| O5 | C22 | N5 | C30 | 4.7° | 160.4° |
| C24 | C23 | H21 | H22 | 123.4° | 122.6° |
| C23 | C24 | C25 | H23 | 119.5° | 119.3° |
| C23 | C24 | C25 | H24 | 119.5° | 119.2° |
| C23 | C24 | H23 | H24 | 121.3° | 121.5° |
| C23 | C24 | C25 | H25 | 90.8° | 120.4° |
| C23 | C24 | C25 | H26 | 148.0° | 118.8° |
| H21 | C23 | C24 | C25 | 150.8° | 103.9° |
| H21 | C23 | C24 | H23 | 31.2° | 15.3° |
| H21 | C23 | C24 | H24 | 89.7° | 136.8° |
| H22 | C23 | C24 | C25 | 86.9° | 133.4° |
| H22 | C23 | C24 | H23 | 153.6° | 107.3° |
| H22 | C23 | C24 | H24 | 32.7° | 14.2° |
| C25 | C24 | H23 | H24 | 121.3° | 121.5° |
| C24 | C25 | H25 | H26 | 121.7° | 120.8° |
| C24 | C25 | N4 | C19 | 165.2° | 164.9° |
| H23 | C24 | C25 | H25 | 149.6° | 120.4° |
| H23 | C24 | C25 | H26 | 28.5° | 0.4° |
| H24 | C24 | C25 | H25 | 28.7° | 1.1° |
| H24 | C24 | C25 | H26 | 92.4° | 121.9° |
| H25 | C25 | N4 | C19 | 75.4° | 75.5° |
| H26 | C25 | N4 | C19 | 45.8° | 45.3° |
| O6 | C26 | C27 | N6 | 179.6° | 179.9° |
| O6 | C26 | C27 | N5 | 152.2° | 46.5° |
| O6 | C26 | C27 | C28 | 34.7° | 73.7° |
| O6 | C26 | C27 | H27 | 85.3° | 165.9° |
| O6 | C26 | N6 | C32 | 4.6° | 4.5° |
| O6 | C26 | N6 | H36 | 175.3° | 175.5° |
| C26 | C27 | N5 | C28 | 118.5° | 121.0° |
| C26 | C27 | N5 | H27 | 122.3° | 119.6° |
| C26 | C27 | N5 | C30 | 58.9° | 131.6° |
| C26 | C27 | C28 | H27 | 120.4° | 120.3° |
| C26 | C27 | C28 | C31 | 73.8° | 179.1° |
| C26 | C27 | C28 | H28 | 46.8° | 59.1° |
| C26 | C27 | C28 | H29 | 165.6° | 60.8° |
| C27 | C26 | N6 | C32 | 175.0° | 175.6° |
| C27 | C26 | N6 | H36 | 5.1° | 4.3° |
| C26 | C27 | N5 | C22 | 128.9° | 47.5° |
| C27 | N5 | C30 | C22 | 172.8° | 179.0° |
| N5 | C27 | C28 | H27 | 119.9° | 119.1° |
| N5 | C27 | C28 | C31 | 45.9° | 58.5° |
| C27 | N5 | C30 | C29 | 63.2° | 44.2° |
| N5 | C27 | C28 | H28 | 166.6° | 61.5° |
| N5 | C27 | C28 | H29 | 74.7° | 178.6° |
| C27 | N5 | C30 | H32 | 177.3° | 164.3° |
| C27 | N5 | C30 | H33 | 56.2° | 75.8° |
| N5 | C27 | C26 | N6 | 27.4° | 133.6° |
| C30 | N5 | C27 | C28 | 59.6° | 10.6° |
| N5 | C30 | C29 | H32 | 119.4° | 120.1° |
| N5 | C30 | C29 | H33 | 119.4° | 120.0° |
| N5 | C30 | C29 | C31 | 53.1° | 51.8° |
| C30 | N5 | C27 | H27 | 178.8° | 108.8° |
| N5 | C30 | C29 | H30 | 67.4° | 69.1° |
| N5 | C30 | C29 | H31 | 173.6° | 172.7° |
| N5 | C30 | H32 | H33 | 121.7° | 119.9° |
| C27 | C28 | C31 | H28 | 120.6° | 120.0° |
| C27 | C28 | C31 | H29 | 120.6° | 120.1° |
| C27 | C28 | C31 | C29 | 44.1° | 50.0° |
| C27 | C28 | H28 | H29 | 118.0° | 119.9° |
| C27 | C28 | C31 | H34 | 76.7° | 170.9° |
| C27 | C28 | C31 | H35 | 164.9° | 70.8° |
| C28 | C27 | N5 | C22 | 112.6° | 168.5° |
| C28 | C27 | C26 | N6 | 144.9° | 106.2° |
| C28 | C31 | C29 | C30 | 48.0° | 5.4° |
| C28 | C31 | C29 | H34 | 120.8° | 120.9° |
| C28 | C31 | C29 | H35 | 120.8° | 120.8° |
| C31 | C28 | C27 | H27 | 165.8° | 60.6° |
| C31 | C28 | H28 | H29 | 118.1° | 119.9° |
| C28 | C31 | C29 | H30 | 72.5° | 115.5° |
| C28 | C31 | C29 | H31 | 168.5° | 126.3° |
| C28 | C31 | H34 | H35 | 117.4° | 118.4° |
| C30 | C29 | C31 | H30 | 120.5° | 120.9° |
| C30 | C29 | C31 | H31 | 120.5° | 120.9° |
| C30 | C29 | H30 | H31 | 118.5° | 118.3° |
| C29 | C30 | H32 | H33 | 121.7° | 119.9° |
| C30 | C29 | C31 | H34 | 72.8° | 115.5° |
| C30 | C29 | C31 | H35 | 168.8° | 126.2° |
| C29 | C30 | N5 | C22 | 109.5° | 136.8° |
| C29 | C31 | C28 | H28 | 164.7° | 70.0° |
| C29 | C31 | C28 | H29 | 76.5° | 170.1° |
| C31 | C29 | H30 | H31 | 118.5° | 118.3° |
| C31 | C29 | C30 | H32 | 172.5° | 171.9° |
| C31 | C29 | C30 | H33 | 66.4° | 68.2° |
| C29 | C31 | H34 | H35 | 117.4° | 118.4° |
| H27 | C27 | C28 | H28 | 73.5° | 179.4° |
| H27 | C27 | C28 | H29 | 45.2° | 59.5° |
| H27 | C27 | N5 | C22 | 6.6° | 72.1° |
| H27 | C27 | C26 | N6 | 95.1° | 14.3° |
| H28 | C28 | C31 | H34 | 43.9° | 50.9° |
| H28 | C28 | C31 | H35 | 74.4° | 169.2° |
| H29 | C28 | C31 | H34 | 162.6° | 69.0° |
| H29 | C28 | C31 | H35 | 44.3° | 49.4° |
| H30 | C29 | C30 | H32 | 52.0° | 51.0° |
| H30 | C29 | C30 | H33 | 173.2° | 170.9° |
| H30 | C29 | C31 | H34 | 166.7° | 123.6° |
| H30 | C29 | C31 | H35 | 48.4° | 5.3° |
| H31 | C29 | C30 | H32 | 67.0° | 67.3° |
| H31 | C29 | C30 | H33 | 54.1° | 52.6° |
| H31 | C29 | C31 | H34 | 47.7° | 5.4° |
| H31 | C29 | C31 | H35 | 70.7° | 112.9° |
| H32 | C30 | N5 | C22 | 9.9° | 16.7° |
| H33 | C30 | N5 | C22 | 131.0° | 103.2° |
| C32 | N6 | H36 | C26 | 180.0° | 179.9° |
| N6 | C32 | C33 | C34 | 118.2° | 119.7° |
| N6 | C32 | C33 | H37 | 123.0° | 119.6° |
| N6 | C32 | C34 | H37 | 115.5° | 120.7° |
| N6 | C32 | C33 | O7 | 120.1° | 4.4° |
| N6 | C32 | C34 | H38 | 180.0° | 79.2° |
| N6 | C32 | C34 | H39 | 60.0° | 160.8° |
| N6 | C32 | C34 | H40 | 60.0° | 40.8° |
| N6 | C32 | C33 | N7 | 63.5° | 175.6° |
| H36 | N6 | C32 | C33 | 44.1° | 84.6° |
| H36 | N6 | C32 | C34 | 78.8° | 155.7° |
| H36 | N6 | C32 | H37 | 166.6° | 35.0° |
| C33 | C32 | C34 | H37 | 119.0° | 120.6° |
| C32 | C33 | O7 | N7 | 176.3° | 179.9° |
| C33 | C32 | C34 | H38 | 54.5° | 39.4° |
| C33 | C32 | C34 | H39 | 174.5° | 80.6° |
| C33 | C32 | C34 | H40 | 65.5° | 159.4° |
| C32 | C33 | N7 | C36 | 3.4° | 178.6° |
| C32 | C33 | N7 | C38 | 179.0° | 1.3° |
| C33 | C32 | N6 | C26 | 135.8° | 95.3° |
| C34 | C32 | C33 | O7 | 1.9° | 124.1° |
| C32 | C34 | H38 | H39 | 120.0° | 120.0° |
| C32 | C34 | H38 | H40 | 120.0° | 120.0° |
| C32 | C34 | H39 | H40 | 120.0° | 120.0° |
| C34 | C32 | N6 | C26 | 101.2° | 24.3° |
| C34 | C32 | C33 | N7 | 178.3° | 56.0° |
| H37 | C32 | C33 | O7 | 116.9° | 115.2° |
| H37 | C32 | C34 | H38 | 64.5° | 160.1° |
| H37 | C32 | C34 | H39 | 55.5° | 40.1° |
| H37 | C32 | C34 | H40 | 175.5° | 79.9° |
| H37 | C32 | N6 | C26 | 13.4° | 145.1° |
| H37 | C32 | C33 | N7 | 59.5° | 64.7° |
| O7 | C33 | N7 | C36 | 179.8° | 1.5° |
| O7 | C33 | N7 | C38 | 2.6° | 178.6° |
| H38 | C34 | H39 | H40 | 120.0° | 120.1° |
| O8 | C35 | C36 | O4 | 177.7° | 179.9° |
| O8 | C35 | C36 | N7 | 148.0° | 109.9° |
| O8 | C35 | C36 | C37 | 95.9° | 9.0° |
| O8 | C35 | C36 | H41 | 28.3° | 129.6° |
| C35 | C36 | N7 | C37 | 119.6° | 120.2° |
| C35 | C36 | N7 | H41 | 120.3° | 120.6° |
| C35 | C36 | N7 | C38 | 95.3° | 109.7° |
| C35 | C36 | C37 | H41 | 122.3° | 120.6° |
| C35 | C36 | C37 | C40 | 87.5° | 121.9° |
| C35 | C36 | C37 | H42 | 31.7° | 2.6° |
| C35 | C36 | C37 | H43 | 153.3° | 118.8° |
| C35 | C36 | N7 | C33 | 82.7° | 70.2° |
| C36 | N7 | C38 | C33 | 178.0° | 179.9° |
| N7 | C36 | C37 | H41 | 117.3° | 119.1° |
| N7 | C36 | C37 | C40 | 32.8° | 1.6° |
| N7 | C36 | C37 | H42 | 152.0° | 117.6° |
| N7 | C36 | C37 | H43 | 86.4° | 121.0° |
| C36 | N7 | C38 | C40 | 2.1° | 18.6° |
| C36 | N7 | C38 | H44 | 121.6° | 138.2° |
| C36 | N7 | C38 | H45 | 117.4° | 100.9° |
| N7 | C36 | C35 | O4 | 34.3° | 70.1° |
| C38 | N7 | C36 | C37 | 24.3° | 10.5° |
| C38 | N7 | C36 | H41 | 144.5° | 129.7° |
| N7 | C38 | C40 | C37 | 16.8° | 18.9° |
| N7 | C38 | C40 | H44 | 119.5° | 119.6° |
| N7 | C38 | C40 | H45 | 119.5° | 119.6° |
| N7 | C38 | H44 | H45 | 121.5° | 121.0° |
| N7 | C38 | C40 | C39 | 137.3° | 99.9° |
| N7 | C38 | C40 | H49 | 100.1° | 137.9° |
| C36 | C37 | C40 | H42 | 119.2° | 119.2° |
| C36 | C37 | C40 | H43 | 119.2° | 119.3° |
| C36 | C37 | H42 | H43 | 122.3° | 121.4° |
| C36 | C37 | C40 | C38 | 34.1° | 12.4° |
| C36 | C37 | C40 | C39 | 157.2° | 106.5° |
| C36 | C37 | C40 | H49 | 85.1° | 131.3° |
| C37 | C36 | C35 | O4 | 81.7° | 170.9° |
| C37 | C36 | N7 | C33 | 157.7° | 169.6° |
| H41 | C36 | C37 | C40 | 150.1° | 117.5° |
| H41 | C36 | C37 | H42 | 90.7° | 123.2° |
| H41 | C36 | C37 | H43 | 30.9° | 1.8° |
| H41 | C36 | C35 | O4 | 154.0° | 50.4° |
| H41 | C36 | N7 | C33 | 37.5° | 50.4° |
| C40 | C37 | H42 | H43 | 122.4° | 121.5° |
| C37 | C40 | C38 | C39 | 120.5° | 118.8° |
| C37 | C40 | C38 | H49 | 116.9° | 118.9° |
| C37 | C40 | C38 | H44 | 102.7° | 138.5° |
| C37 | C40 | C38 | H45 | 136.3° | 100.6° |
| C37 | C40 | C39 | H49 | 116.7° | 122.3° |
| C37 | C40 | C39 | H46 | 180.0° | 60.0° |
| C37 | C40 | C39 | H47 | 60.0° | 180.0° |
| C37 | C40 | C39 | H48 | 60.0° | 60.0° |
| H42 | C37 | C40 | C38 | 153.2° | 106.9° |
| H42 | C37 | C40 | C39 | 83.6° | 134.3° |
| H42 | C37 | C40 | H49 | 34.1° | 12.0° |
| H43 | C37 | C40 | C38 | 85.1° | 131.6° |
| H43 | C37 | C40 | C39 | 38.0° | 12.8° |
| H43 | C37 | C40 | H49 | 155.7° | 109.4° |
| C40 | C38 | H44 | H45 | 121.5° | 120.8° |
| C38 | C40 | C39 | H49 | 123.6° | 122.3° |
| C38 | C40 | C39 | H46 | 60.3° | 55.4° |
| C38 | C40 | C39 | H47 | 179.7° | 64.5° |
| C38 | C40 | C39 | H48 | 59.7° | 175.5° |
| C40 | C38 | N7 | C33 | 180.0° | 161.5° |
| H44 | C38 | C40 | C39 | 17.8° | 19.7° |
| H44 | C38 | C40 | H49 | 140.4° | 102.5° |
| H44 | C38 | N7 | C33 | 60.5° | 41.9° |
| H45 | C38 | C40 | C39 | 103.2° | 140.5° |
| H45 | C38 | C40 | H49 | 19.4° | 18.3° |
| H45 | C38 | N7 | C33 | 60.5° | 79.0° |
| C40 | C39 | H46 | H47 | 120.0° | 120.0° |
| C40 | C39 | H46 | H48 | 120.0° | 120.1° |
| C40 | C39 | H47 | H48 | 120.0° | 120.0° |
| H46 | C39 | H47 | H48 | 120.0° | 120.0° |
| H46 | C39 | C40 | H49 | 63.3° | 177.7° |
| H47 | C39 | C40 | H49 | 56.7° | 57.8° |
| H48 | C39 | C40 | H49 | 176.7° | 62.2° |
