PRD_000777
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C7 | sing | 1.51Å | 1.51Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | N2 | sing | 1.46Å | 1.47Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.37Å | 1.37Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | N3 | doub | 1.29Å | 1.26Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | O1 | doub | 1.21Å | 1.22Å | |
| N4 | C8 | sing | 1.47Å | 1.45Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.55Å | |
| C8 | C10 | sing | 1.53Å | 1.55Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| N5 | C13 | sing | 1.46Å | 1.46Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C15 | sing | 1.53Å | 1.50Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | N6 | sing | 1.47Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| N6 | C19 | sing | 1.47Å | 1.44Å | |
| N6 | H37 | sing | 1.01Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | O3 | doub | 1.21Å | 1.20Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | H41 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | H42 | sing | 1.08Å | 1.08Å | |
| C25 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | H43 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H44 | sing | 1.08Å | 1.08Å | |
| C27 | H45 | sing | 1.08Å | 1.08Å | |
| N7 | C28 | sing | 1.46Å | 1.47Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | O4 | doub | 1.21Å | 1.21Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | O5 | doub | 1.21Å | 1.34Å | |
| C32 | O6 | sing | 1.34Å | 1.24Å | |
| O6 | H52 | sing | 0.97Å | 0.95Å | |
| N8 | C33 | sing | 1.46Å | 1.43Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | O7 | doub | 1.21Å | 1.24Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| N9 | C36 | sing | 1.46Å | 1.45Å | |
| N9 | H58 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | O8 | doub | 1.21Å | 1.33Å | |
| C37 | O9 | sing | 1.34Å | 1.24Å | |
| O9 | H60 | sing | 0.97Å | 0.95Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C39 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C7 | N4 | sing | 1.35Å | 1.33Å | |
| C9 | N5 | sing | 1.35Å | 1.34Å | |
| C20 | N7 | sing | 1.35Å | 1.35Å | |
| C29 | N8 | sing | 1.35Å | 1.32Å | |
| C34 | N9 | sing | 1.35Å | 1.36Å |
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° | 111.1° |
| N1 | C1 | C2 | 115.3° | 109.5° |
| N1 | C1 | C7 | 105.6° | 109.5° |
| N1 | C1 | H3 | 108.3° | 109.5° |
| H1 | N1 | H2 | 109.4° | 111.0° |
| C2 | C1 | C7 | 112.5° | 109.5° |
| C2 | C1 | H3 | 107.4° | 109.5° |
| C1 | C2 | C3 | 118.7° | 109.5° |
| C1 | C2 | H4 | 107.1° | 109.5° |
| C1 | C2 | H5 | 107.1° | 109.5° |
| C7 | C1 | H3 | 107.4° | 109.5° |
| C1 | C7 | O1 | 118.3° | 120.0° |
| C1 | C7 | N4 | 120.6° | 120.0° |
| C3 | C2 | H4 | 107.1° | 109.4° |
| C3 | C2 | H5 | 107.1° | 109.4° |
| C2 | C3 | C4 | 112.3° | 109.5° |
| C2 | C3 | H6 | 108.7° | 109.5° |
| C2 | C3 | H7 | 108.8° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| C4 | C3 | H6 | 108.8° | 109.4° |
| C4 | C3 | H7 | 108.7° | 109.5° |
| C3 | C4 | N2 | 112.2° | 109.5° |
| C3 | C4 | H8 | 108.8° | 109.4° |
| C3 | C4 | H9 | 108.8° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| N2 | C4 | H8 | 108.8° | 109.5° |
| N2 | C4 | H9 | 108.8° | 109.5° |
| C4 | N2 | C5 | 126.4° | 120.0° |
| C4 | N2 | H10 | 116.8° | 120.0° |
| H8 | C4 | H9 | 109.5° | 109.4° |
| C5 | N2 | H10 | 116.8° | 120.0° |
| N2 | C5 | C6 | 120.7° | 120.0° |
| N2 | C5 | N3 | 124.3° | 120.0° |
| C6 | C5 | N3 | 115.0° | 120.0° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C5 | C6 | H12 | 109.4° | 109.5° |
| C5 | C6 | H13 | 109.5° | 109.4° |
| C5 | N3 | H14 | 112.0° | 120.0° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| H11 | C6 | H13 | 109.5° | 109.4° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| O1 | C7 | N4 | 121.0° | 120.0° |
| C8 | N4 | H15 | 118.5° | 120.0° |
| N4 | C8 | C9 | 110.7° | 109.5° |
| N4 | C8 | C10 | 109.4° | 109.5° |
| N4 | C8 | H16 | 107.6° | 109.5° |
| C8 | N4 | C7 | 122.9° | 120.0° |
| H15 | N4 | C7 | 118.5° | 120.0° |
| C9 | C8 | C10 | 115.8° | 109.5° |
| C9 | C8 | H16 | 106.4° | 109.5° |
| C8 | C9 | O2 | 121.7° | 120.0° |
| C8 | C9 | N5 | 116.8° | 120.0° |
| C10 | C8 | H16 | 106.4° | 109.5° |
| C8 | C10 | C11 | 114.5° | 109.5° |
| C8 | C10 | C12 | 112.6° | 109.5° |
| C8 | C10 | H17 | 107.0° | 109.5° |
| O2 | C9 | N5 | 121.5° | 120.0° |
| C11 | C10 | C12 | 108.3° | 109.5° |
| C11 | C10 | H17 | 106.9° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.4° |
| C10 | C11 | H19 | 109.5° | 109.5° |
| C10 | C11 | H20 | 109.5° | 109.4° |
| C12 | C10 | H17 | 107.1° | 109.4° |
| C10 | C12 | H21 | 109.5° | 109.5° |
| C10 | C12 | H22 | 109.4° | 109.5° |
| C10 | C12 | H23 | 109.5° | 109.4° |
| H18 | C11 | H19 | 109.4° | 109.5° |
| H18 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H21 | C12 | H23 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.4° | 109.5° |
| C13 | N5 | H24 | 116.6° | 120.0° |
| N5 | C13 | C14 | 112.4° | 109.5° |
| N5 | C13 | C15 | 108.8° | 109.5° |
| N5 | C13 | H25 | 110.9° | 109.5° |
| C13 | N5 | C9 | 126.8° | 120.0° |
| H24 | N5 | C9 | 116.6° | 120.0° |
| C14 | C13 | C15 | 104.1° | 109.5° |
| C14 | C13 | H25 | 110.1° | 109.4° |
| C13 | C14 | H26 | 109.3° | 109.5° |
| C13 | C14 | H27 | 109.3° | 109.5° |
| C13 | C14 | N6 | 110.1° | 109.5° |
| C15 | C13 | H25 | 110.3° | 109.4° |
| C13 | C15 | C16 | 109.4° | 109.5° |
| C13 | C15 | H28 | 109.5° | 109.5° |
| C13 | C15 | H29 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.4° |
| H26 | C14 | N6 | 109.3° | 109.5° |
| H27 | C14 | N6 | 109.3° | 109.4° |
| C14 | N6 | C19 | 119.2° | 111.0° |
| C14 | N6 | H37 | 107.0° | 111.0° |
| C16 | C15 | H28 | 109.5° | 109.5° |
| C16 | C15 | H29 | 109.5° | 109.5° |
| C15 | C16 | C17 | 110.8° | 109.5° |
| C15 | C16 | C18 | 113.7° | 109.5° |
| C15 | C16 | H30 | 107.5° | 109.5° |
| H28 | C15 | H29 | 109.5° | 109.5° |
| C17 | C16 | C18 | 109.8° | 109.5° |
| C17 | C16 | H30 | 107.3° | 109.5° |
| C16 | C17 | H31 | 109.5° | 109.5° |
| C16 | C17 | H32 | 109.5° | 109.4° |
| C16 | C17 | H33 | 109.5° | 109.5° |
| C18 | C16 | H30 | 107.5° | 109.5° |
| C16 | C18 | H34 | 109.5° | 109.5° |
| C16 | C18 | H35 | 109.5° | 109.5° |
| C16 | C18 | H36 | 109.4° | 109.5° |
| H31 | C17 | H32 | 109.5° | 109.4° |
| H31 | C17 | H33 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.5° | 109.4° |
| H34 | C18 | H35 | 109.4° | 109.5° |
| H34 | C18 | H36 | 109.5° | 109.5° |
| H35 | C18 | H36 | 109.5° | 109.5° |
| C19 | N6 | H37 | 107.0° | 111.0° |
| N6 | C19 | C20 | 111.6° | 109.4° |
| N6 | C19 | C21 | 106.3° | 109.4° |
| N6 | C19 | H38 | 107.7° | 109.5° |
| C20 | C19 | C21 | 117.2° | 109.5° |
| C20 | C19 | H38 | 106.8° | 109.5° |
| C19 | C20 | O3 | 121.4° | 120.1° |
| C19 | C20 | N7 | 119.9° | 120.0° |
| C21 | C19 | H38 | 106.8° | 109.5° |
| C19 | C21 | C22 | 115.2° | 109.5° |
| C19 | C21 | H39 | 108.0° | 109.5° |
| C19 | C21 | H40 | 108.0° | 109.4° |
| O3 | C20 | N7 | 118.7° | 119.9° |
| C22 | C21 | H39 | 108.0° | 109.5° |
| C22 | C21 | H40 | 108.0° | 109.5° |
| C21 | C22 | C23 | 121.3° | 120.0° |
| C21 | C22 | C24 | 119.1° | 120.0° |
| H39 | C21 | H40 | 109.4° | 109.5° |
| C23 | C22 | C24 | 119.6° | 120.0° |
| C22 | C23 | C25 | 120.2° | 120.0° |
| C22 | C23 | H41 | 119.9° | 120.0° |
| C22 | C24 | C26 | 119.4° | 120.0° |
| C22 | C24 | H42 | 120.3° | 120.0° |
| C25 | C23 | H41 | 119.9° | 120.0° |
| C23 | C25 | C27 | 121.4° | 120.0° |
| C23 | C25 | H43 | 119.3° | 120.0° |
| C26 | C24 | H42 | 120.3° | 120.0° |
| C24 | C26 | C27 | 121.6° | 120.0° |
| C24 | C26 | H44 | 119.2° | 120.0° |
| C27 | C25 | H43 | 119.3° | 120.0° |
| C25 | C27 | C26 | 117.7° | 120.0° |
| C25 | C27 | H45 | 121.2° | 120.0° |
| C27 | C26 | H44 | 119.2° | 120.0° |
| C26 | C27 | H45 | 121.2° | 120.0° |
| C28 | N7 | H46 | 118.2° | 120.1° |
| N7 | C28 | C29 | 107.4° | 109.5° |
| N7 | C28 | C30 | 106.3° | 109.4° |
| N7 | C28 | H47 | 111.4° | 109.5° |
| C28 | N7 | C20 | 123.6° | 120.0° |
| H46 | N7 | C20 | 118.2° | 119.9° |
| C29 | C28 | C30 | 110.1° | 109.5° |
| C29 | C28 | H47 | 111.0° | 109.4° |
| C28 | C29 | O4 | 121.0° | 120.0° |
| C28 | C29 | N8 | 117.6° | 120.0° |
| C30 | C28 | H47 | 110.6° | 109.4° |
| C28 | C30 | C31 | 116.9° | 109.5° |
| C28 | C30 | H48 | 107.6° | 109.5° |
| C28 | C30 | H49 | 107.6° | 109.5° |
| O4 | C29 | N8 | 121.4° | 120.0° |
| C31 | C30 | H48 | 107.6° | 109.5° |
| C31 | C30 | H49 | 107.6° | 109.5° |
| C30 | C31 | C32 | 108.0° | 109.5° |
| C30 | C31 | H50 | 109.8° | 109.5° |
| C30 | C31 | H51 | 109.8° | 109.4° |
| H48 | C30 | H49 | 109.5° | 109.4° |
| C32 | C31 | H50 | 109.8° | 109.4° |
| C32 | C31 | H51 | 109.9° | 109.5° |
| C31 | C32 | O5 | 119.9° | 120.0° |
| C31 | C32 | O6 | 121.5° | 120.0° |
| H50 | C31 | H51 | 109.5° | 109.5° |
| O5 | C32 | O6 | 118.6° | 120.0° |
| C32 | O6 | H52 | 109.5° | 116.9° |
| C33 | N8 | H53 | 118.3° | 120.0° |
| N8 | C33 | C34 | 108.0° | 109.5° |
| N8 | C33 | C35 | 106.3° | 109.5° |
| N8 | C33 | H54 | 111.7° | 109.5° |
| C33 | N8 | C29 | 123.4° | 120.0° |
| H53 | N8 | C29 | 118.3° | 120.1° |
| C34 | C33 | C35 | 110.0° | 109.5° |
| C34 | C33 | H54 | 110.5° | 109.5° |
| C33 | C34 | O7 | 120.6° | 120.0° |
| C33 | C34 | N9 | 115.8° | 120.0° |
| C35 | C33 | H54 | 110.2° | 109.4° |
| C33 | C35 | H55 | 109.5° | 109.5° |
| C33 | C35 | H56 | 109.5° | 109.6° |
| C33 | C35 | H57 | 109.4° | 109.5° |
| O7 | C34 | N9 | 123.5° | 120.0° |
| H55 | C35 | H56 | 109.5° | 109.4° |
| H55 | C35 | H57 | 109.5° | 109.4° |
| H56 | C35 | H57 | 109.4° | 109.4° |
| C36 | N9 | H58 | 117.6° | 120.0° |
| N9 | C36 | C37 | 106.3° | 109.5° |
| N9 | C36 | C38 | 111.5° | 109.5° |
| N9 | C36 | H59 | 108.7° | 109.5° |
| C36 | N9 | C34 | 124.9° | 120.0° |
| H58 | N9 | C34 | 117.6° | 120.0° |
| C37 | C36 | C38 | 114.7° | 109.4° |
| C37 | C36 | H59 | 108.0° | 109.5° |
| C36 | C37 | O8 | 118.9° | 120.0° |
| C36 | C37 | O9 | 121.8° | 120.0° |
| C38 | C36 | H59 | 107.5° | 109.5° |
| C36 | C38 | C39 | 111.6° | 109.4° |
| C36 | C38 | H61 | 109.0° | 109.5° |
| C36 | C38 | H62 | 108.9° | 109.5° |
| O8 | C37 | O9 | 119.2° | 120.0° |
| C37 | O9 | H60 | 109.5° | 117.0° |
| C39 | C38 | H61 | 108.9° | 109.5° |
| C39 | C38 | H62 | 108.9° | 109.5° |
| C38 | C39 | C40 | 113.1° | 109.4° |
| C38 | C39 | H63 | 108.6° | 109.5° |
| C38 | C39 | H64 | 108.6° | 109.4° |
| H61 | C38 | H62 | 109.5° | 109.5° |
| C40 | C39 | H63 | 108.5° | 109.5° |
| C40 | C39 | H64 | 108.6° | 109.5° |
| C39 | C40 | C41 | 111.3° | 109.5° |
| C39 | C40 | H65 | 109.0° | 109.5° |
| C39 | C40 | H66 | 109.0° | 109.5° |
| H63 | C39 | H64 | 109.5° | 109.5° |
| C41 | C40 | H65 | 109.0° | 109.4° |
| C41 | C40 | H66 | 109.0° | 109.5° |
| C40 | C41 | H67 | 109.5° | 109.4° |
| C40 | C41 | H68 | 109.5° | 109.5° |
| C40 | C41 | H69 | 109.5° | 109.5° |
| H65 | C40 | H66 | 109.5° | 109.5° |
| H67 | C41 | H68 | 109.4° | 109.5° |
| H67 | C41 | H69 | 109.5° | 109.4° |
| H68 | C41 | H69 | 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° | 124.0° |
| N1 | C1 | C2 | C7 | 121.2° | 120.0° |
| N1 | C1 | C2 | H3 | 120.8° | 120.1° |
| N1 | C1 | C7 | H3 | 115.4° | 120.0° |
| N1 | C1 | C2 | C3 | 29.7° | 65.0° |
| N1 | C1 | C2 | H4 | 91.7° | 55.0° |
| N1 | C1 | C2 | H5 | 151.0° | 175.0° |
| N1 | C1 | C7 | O1 | 121.8° | 20.0° |
| N1 | C1 | C7 | N4 | 58.2° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 176.1° |
| H1 | N1 | C1 | C7 | 55.1° | 64.0° |
| H1 | N1 | C1 | H3 | 59.8° | 56.0° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C7 | 64.9° | 60.0° |
| H2 | N1 | C1 | H3 | 179.7° | 180.0° |
| C2 | C1 | C7 | H3 | 118.0° | 120.0° |
| C1 | C2 | C3 | H4 | 121.3° | 120.0° |
| C1 | C2 | C3 | H5 | 121.3° | 120.0° |
| C1 | C2 | H4 | H5 | 115.8° | 120.0° |
| C1 | C2 | C3 | C4 | 120.6° | 180.0° |
| C1 | C2 | C3 | H6 | 0.1° | 60.0° |
| C1 | C2 | C3 | H7 | 119.0° | 60.0° |
| C2 | C1 | C7 | O1 | 111.6° | 100.0° |
| C2 | C1 | C7 | N4 | 68.4° | 80.0° |
| C7 | C1 | C2 | C3 | 150.9° | 175.0° |
| C7 | C1 | C2 | H4 | 29.5° | 65.0° |
| C7 | C1 | C2 | H5 | 87.8° | 55.1° |
| C1 | C7 | O1 | N4 | 180.0° | 180.0° |
| C1 | C7 | N4 | C8 | 172.1° | 180.0° |
| C1 | C7 | N4 | H15 | 7.9° | 0.1° |
| H3 | C1 | C2 | C3 | 91.1° | 55.0° |
| H3 | C1 | C2 | H4 | 147.6° | 175.0° |
| H3 | C1 | C2 | H5 | 30.2° | 64.9° |
| H3 | C1 | C7 | O1 | 6.4° | 140.1° |
| H3 | C1 | C7 | N4 | 173.6° | 39.9° |
| C3 | C2 | H4 | H5 | 115.8° | 119.9° |
| C2 | C3 | C4 | H6 | 120.4° | 120.0° |
| C2 | C3 | C4 | H7 | 120.4° | 120.0° |
| C2 | C3 | H6 | H7 | 118.7° | 120.0° |
| C2 | C3 | C4 | N2 | 153.4° | 180.0° |
| C2 | C3 | C4 | H8 | 86.2° | 60.0° |
| C2 | C3 | C4 | H9 | 33.0° | 60.0° |
| H4 | C2 | C3 | C4 | 118.1° | 60.0° |
| H4 | C2 | C3 | H6 | 121.4° | 179.9° |
| H4 | C2 | C3 | H7 | 2.3° | 60.0° |
| H5 | C2 | C3 | C4 | 0.8° | 60.0° |
| H5 | C2 | C3 | H6 | 121.2° | 60.0° |
| H5 | C2 | C3 | H7 | 119.7° | 180.0° |
| C4 | C3 | H6 | H7 | 118.7° | 120.0° |
| C3 | C4 | N2 | H8 | 120.4° | 120.0° |
| C3 | C4 | N2 | H9 | 120.4° | 120.0° |
| C3 | C4 | H8 | H9 | 118.8° | 119.9° |
| C3 | C4 | N2 | C5 | 96.6° | 180.0° |
| C3 | C4 | N2 | H10 | 83.5° | 0.1° |
| H6 | C3 | C4 | N2 | 33.0° | 60.0° |
| H6 | C3 | C4 | H8 | 153.4° | 179.9° |
| H6 | C3 | C4 | H9 | 87.4° | 60.0° |
| H7 | C3 | C4 | N2 | 86.2° | 60.0° |
| H7 | C3 | C4 | H8 | 34.2° | 60.1° |
| H7 | C3 | C4 | H9 | 153.4° | 180.0° |
| N2 | C4 | H8 | H9 | 118.8° | 120.0° |
| C4 | N2 | C5 | H10 | 180.0° | 179.9° |
| C4 | N2 | C5 | C6 | 170.6° | 179.9° |
| C4 | N2 | C5 | N3 | 9.2° | 0.1° |
| H8 | C4 | N2 | C5 | 23.8° | 59.9° |
| H8 | C4 | N2 | H10 | 156.2° | 120.0° |
| H9 | C4 | N2 | C5 | 143.0° | 60.1° |
| H9 | C4 | N2 | H10 | 36.9° | 120.1° |
| N2 | C5 | C6 | N3 | 179.8° | 180.0° |
| N2 | C5 | C6 | H11 | 180.0° | 0.0° |
| N2 | C5 | C6 | H12 | 60.0° | 120.0° |
| N2 | C5 | C6 | H13 | 60.0° | 120.0° |
| N2 | C5 | N3 | H14 | 179.8° | 180.0° |
| H10 | N2 | C5 | C6 | 9.4° | 0.0° |
| H10 | N2 | C5 | N3 | 170.7° | 180.0° |
| C5 | C6 | H11 | H12 | 120.0° | 120.0° |
| C5 | C6 | H11 | H13 | 120.0° | 120.0° |
| C5 | C6 | H12 | H13 | 120.0° | 120.0° |
| C6 | C5 | N3 | H14 | 0.0° | 0.0° |
| N3 | C5 | C6 | H11 | 0.2° | 180.0° |
| N3 | C5 | C6 | H12 | 120.2° | 60.0° |
| N3 | C5 | C6 | H13 | 119.9° | 60.0° |
| H11 | C6 | H12 | H13 | 120.0° | 120.0° |
| O1 | C7 | N4 | C8 | 7.9° | 0.0° |
| O1 | C7 | N4 | H15 | 172.1° | 179.9° |
| C8 | N4 | H15 | C7 | 180.0° | 179.9° |
| N4 | C8 | C9 | C10 | 125.3° | 120.0° |
| N4 | C8 | C9 | H16 | 116.6° | 120.0° |
| N4 | C8 | C10 | H16 | 116.0° | 120.0° |
| N4 | C8 | C9 | O2 | 92.0° | 29.9° |
| N4 | C8 | C10 | C11 | 179.3° | 177.4° |
| N4 | C8 | C10 | C12 | 56.4° | 57.4° |
| N4 | C8 | C10 | H17 | 61.1° | 62.6° |
| N4 | C8 | C9 | N5 | 89.4° | 150.2° |
| H15 | N4 | C8 | C9 | 54.3° | 25.0° |
| H15 | N4 | C8 | C10 | 74.5° | 95.0° |
| H15 | N4 | C8 | H16 | 170.2° | 145.0° |
| C9 | C8 | C10 | H16 | 118.0° | 120.0° |
| C8 | C9 | O2 | N5 | 178.6° | 180.0° |
| C9 | C8 | C10 | C11 | 53.4° | 62.6° |
| C9 | C8 | C10 | C12 | 177.7° | 177.4° |
| C9 | C8 | C10 | H17 | 64.9° | 57.4° |
| C8 | C9 | N5 | C13 | 171.0° | 175.0° |
| C8 | C9 | N5 | H24 | 9.1° | 4.9° |
| C9 | C8 | N4 | C7 | 125.7° | 154.9° |
| C10 | C8 | C9 | O2 | 33.4° | 90.1° |
| C8 | C10 | C11 | C12 | 126.6° | 120.0° |
| C8 | C10 | C11 | H17 | 118.3° | 120.0° |
| C8 | C10 | C12 | H17 | 117.4° | 120.0° |
| C8 | C10 | C11 | H18 | 180.0° | 53.9° |
| C8 | C10 | C11 | H19 | 60.0° | 173.9° |
| C8 | C10 | C11 | H20 | 60.0° | 66.1° |
| C8 | C10 | C12 | H21 | 180.0° | 60.0° |
| C8 | C10 | C12 | H22 | 60.0° | 180.0° |
| C8 | C10 | C12 | H23 | 60.0° | 60.0° |
| C10 | C8 | N4 | C7 | 105.5° | 85.0° |
| C10 | C8 | C9 | N5 | 145.3° | 89.8° |
| H16 | C8 | C9 | O2 | 151.4° | 149.9° |
| H16 | C8 | C10 | C11 | 64.7° | 57.4° |
| H16 | C8 | C10 | C12 | 59.6° | 62.7° |
| H16 | C8 | C10 | H17 | 177.1° | 177.4° |
| H16 | C8 | N4 | C7 | 9.8° | 35.0° |
| H16 | C8 | C9 | N5 | 27.3° | 30.2° |
| O2 | C9 | N5 | C13 | 10.4° | 5.0° |
| O2 | C9 | N5 | H24 | 169.6° | 175.1° |
| C11 | C10 | C12 | H17 | 115.0° | 120.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H20 | 120.0° | 119.9° |
| C10 | C11 | H19 | H20 | 120.0° | 120.0° |
| C11 | C10 | C12 | H21 | 52.4° | 180.0° |
| C11 | C10 | C12 | H22 | 67.7° | 60.0° |
| C11 | C10 | C12 | H23 | 172.4° | 60.0° |
| C12 | C10 | C11 | H18 | 53.4° | 66.1° |
| C12 | C10 | C11 | H19 | 173.4° | 53.9° |
| C12 | C10 | C11 | H20 | 66.6° | 173.9° |
| C10 | C12 | H21 | H22 | 120.0° | 120.0° |
| C10 | C12 | H21 | H23 | 120.0° | 120.0° |
| C10 | C12 | H22 | H23 | 120.0° | 120.0° |
| H17 | C10 | C11 | H18 | 61.7° | 173.9° |
| H17 | C10 | C11 | H19 | 58.3° | 66.1° |
| H17 | C10 | C11 | H20 | 178.3° | 53.9° |
| H17 | C10 | C12 | H21 | 62.6° | 60.0° |
| H17 | C10 | C12 | H22 | 177.4° | 60.0° |
| H17 | C10 | C12 | H23 | 57.4° | 180.0° |
| H18 | C11 | H19 | H20 | 120.0° | 120.1° |
| H21 | C12 | H22 | H23 | 120.0° | 120.0° |
| C13 | N5 | H24 | C9 | 180.0° | 179.9° |
| N5 | C13 | C14 | C15 | 117.6° | 120.1° |
| N5 | C13 | C14 | H25 | 124.2° | 120.0° |
| N5 | C13 | C15 | H25 | 121.8° | 120.0° |
| N5 | C13 | C14 | H26 | 179.1° | 176.0° |
| N5 | C13 | C14 | H27 | 59.3° | 64.0° |
| N5 | C13 | C14 | N6 | 60.8° | 55.9° |
| N5 | C13 | C15 | C16 | 56.0° | 65.0° |
| N5 | C13 | C15 | H28 | 64.0° | 55.0° |
| N5 | C13 | C15 | H29 | 176.0° | 175.0° |
| H24 | N5 | C13 | C14 | 73.4° | 41.9° |
| H24 | N5 | C13 | C15 | 41.4° | 78.1° |
| H24 | N5 | C13 | H25 | 162.9° | 161.8° |
| C14 | C13 | C15 | H25 | 118.1° | 119.9° |
| C13 | C14 | H26 | H27 | 119.7° | 120.0° |
| C13 | C14 | H26 | N6 | 120.6° | 120.1° |
| C13 | C14 | H27 | N6 | 120.6° | 120.0° |
| C14 | C13 | C15 | C16 | 176.0° | 175.0° |
| C14 | C13 | C15 | H28 | 56.1° | 65.0° |
| C14 | C13 | C15 | H29 | 64.0° | 54.9° |
| C13 | C14 | N6 | C19 | 152.3° | 173.8° |
| C13 | C14 | N6 | H37 | 86.3° | 62.2° |
| C14 | C13 | N5 | C9 | 106.6° | 138.2° |
| C15 | C13 | C14 | H26 | 61.5° | 64.0° |
| C15 | C13 | C14 | H27 | 58.3° | 56.0° |
| C15 | C13 | C14 | N6 | 178.4° | 176.0° |
| C13 | C15 | C16 | H28 | 120.0° | 120.0° |
| C13 | C15 | C16 | H29 | 120.0° | 120.0° |
| C13 | C15 | H28 | H29 | 120.0° | 120.0° |
| C13 | C15 | C16 | C17 | 174.8° | 175.0° |
| C13 | C15 | C16 | C18 | 61.0° | 65.0° |
| C13 | C15 | C16 | H30 | 57.8° | 55.0° |
| C15 | C13 | N5 | C9 | 138.6° | 101.8° |
| H25 | C13 | C14 | H26 | 56.8° | 56.0° |
| H25 | C13 | C14 | H27 | 176.5° | 176.0° |
| H25 | C13 | C14 | N6 | 63.3° | 64.1° |
| H25 | C13 | C15 | C16 | 65.8° | 55.0° |
| H25 | C13 | C15 | H28 | 174.2° | 175.0° |
| H25 | C13 | C15 | H29 | 54.1° | 65.0° |
| H25 | C13 | N5 | C9 | 17.1° | 18.2° |
| H26 | C14 | H27 | N6 | 119.7° | 119.9° |
| H26 | C14 | N6 | C19 | 32.2° | 53.7° |
| H26 | C14 | N6 | H37 | 153.6° | 177.7° |
| H27 | C14 | N6 | C19 | 87.6° | 66.2° |
| H27 | C14 | N6 | H37 | 33.8° | 57.8° |
| C14 | N6 | C19 | H37 | 121.4° | 124.0° |
| C14 | N6 | C19 | C20 | 70.8° | 132.7° |
| C14 | N6 | C19 | C21 | 160.4° | 107.3° |
| C14 | N6 | C19 | H38 | 46.2° | 12.7° |
| C16 | C15 | H28 | H29 | 120.0° | 120.0° |
| C15 | C16 | C17 | C18 | 126.4° | 120.0° |
| C15 | C16 | C17 | H30 | 117.1° | 120.0° |
| C15 | C16 | C18 | H30 | 118.8° | 120.0° |
| C15 | C16 | C17 | H31 | 180.0° | 60.1° |
| C15 | C16 | C17 | H32 | 60.0° | 180.0° |
| C15 | C16 | C17 | H33 | 60.0° | 60.0° |
| C15 | C16 | C18 | H34 | 180.0° | 60.0° |
| C15 | C16 | C18 | H35 | 60.0° | 180.0° |
| C15 | C16 | C18 | H36 | 60.0° | 60.0° |
| H28 | C15 | C16 | C17 | 54.8° | 55.0° |
| H28 | C15 | C16 | C18 | 179.0° | 175.0° |
| H28 | C15 | C16 | H30 | 62.1° | 65.0° |
| H29 | C15 | C16 | C17 | 65.2° | 65.0° |
| H29 | C15 | C16 | C18 | 59.0° | 55.0° |
| H29 | C15 | C16 | H30 | 177.8° | 175.0° |
| C17 | C16 | C18 | H30 | 116.4° | 120.0° |
| C16 | C17 | H31 | H32 | 120.0° | 119.9° |
| C16 | C17 | H31 | H33 | 120.0° | 120.1° |
| C16 | C17 | H32 | H33 | 120.0° | 120.0° |
| C17 | C16 | C18 | H34 | 55.2° | 180.0° |
| C17 | C16 | C18 | H35 | 64.8° | 60.0° |
| C17 | C16 | C18 | H36 | 175.3° | 60.0° |
| C18 | C16 | C17 | H31 | 53.6° | 59.9° |
| C18 | C16 | C17 | H32 | 173.6° | 60.0° |
| C18 | C16 | C17 | H33 | 66.4° | 180.0° |
| C16 | C18 | H34 | H35 | 120.0° | 120.0° |
| C16 | C18 | H34 | H36 | 120.0° | 120.0° |
| C16 | C18 | H35 | H36 | 120.0° | 120.0° |
| H30 | C16 | C17 | H31 | 62.9° | 180.0° |
| H30 | C16 | C17 | H32 | 57.1° | 60.0° |
| H30 | C16 | C17 | H33 | 177.1° | 59.9° |
| H30 | C16 | C18 | H34 | 61.2° | 60.0° |
| H30 | C16 | C18 | H35 | 178.8° | 60.0° |
| H30 | C16 | C18 | H36 | 58.8° | 180.0° |
| H31 | C17 | H32 | H33 | 120.0° | 120.0° |
| H34 | C18 | H35 | H36 | 120.0° | 120.0° |
| N6 | C19 | C20 | C21 | 122.8° | 120.0° |
| N6 | C19 | C20 | H38 | 117.5° | 120.0° |
| N6 | C19 | C21 | H38 | 114.8° | 120.0° |
| N6 | C19 | C20 | O3 | 24.2° | 0.0° |
| N6 | C19 | C21 | C22 | 135.7° | 65.9° |
| N6 | C19 | C21 | H39 | 103.5° | 54.2° |
| N6 | C19 | C21 | H40 | 14.8° | 174.1° |
| N6 | C19 | C20 | N7 | 158.4° | 180.0° |
| H37 | N6 | C19 | C20 | 167.8° | 103.3° |
| H37 | N6 | C19 | C21 | 39.0° | 16.7° |
| H37 | N6 | C19 | H38 | 75.2° | 136.7° |
| C20 | C19 | C21 | H38 | 119.7° | 120.0° |
| C19 | C20 | O3 | N7 | 177.4° | 180.0° |
| C20 | C19 | C21 | C22 | 10.2° | 174.1° |
| C20 | C19 | C21 | H39 | 131.0° | 65.8° |
| C20 | C19 | C21 | H40 | 110.7° | 54.1° |
| C19 | C20 | N7 | C28 | 173.0° | 180.0° |
| C19 | C20 | N7 | H46 | 7.0° | 0.1° |
| C21 | C19 | C20 | O3 | 98.6° | 119.9° |
| C19 | C21 | C22 | H39 | 120.8° | 120.0° |
| C19 | C21 | C22 | H40 | 120.9° | 119.9° |
| C19 | C21 | H39 | H40 | 117.4° | 119.9° |
| C19 | C21 | C22 | C23 | 85.1° | 89.9° |
| C19 | C21 | C22 | C24 | 96.2° | 90.3° |
| C21 | C19 | C20 | N7 | 78.7° | 60.0° |
| H38 | C19 | C20 | O3 | 141.7° | 120.0° |
| H38 | C19 | C21 | C22 | 109.5° | 54.1° |
| H38 | C19 | C21 | H39 | 11.3° | 174.2° |
| H38 | C19 | C21 | H40 | 129.6° | 65.9° |
| H38 | C19 | C20 | N7 | 40.9° | 60.0° |
| O3 | C20 | N7 | C28 | 9.6° | 0.0° |
| O3 | C20 | N7 | H46 | 170.4° | 179.9° |
| C22 | C21 | H39 | H40 | 117.4° | 120.1° |
| C21 | C22 | C23 | C24 | 178.7° | 179.7° |
| C21 | C22 | C23 | C25 | 179.9° | 180.0° |
| C21 | C22 | C23 | H41 | 0.0° | 0.0° |
| C21 | C22 | C24 | C26 | 178.4° | 180.0° |
| C21 | C22 | C24 | H42 | 1.5° | 0.0° |
| H39 | C21 | C22 | C23 | 154.0° | 30.1° |
| H39 | C21 | C22 | C24 | 24.7° | 149.7° |
| H40 | C21 | C22 | C23 | 35.7° | 150.1° |
| H40 | C21 | C22 | C24 | 143.0° | 29.6° |
| C22 | C23 | C25 | H41 | 180.0° | 180.0° |
| C23 | C22 | C24 | C26 | 2.8° | 0.3° |
| C23 | C22 | C24 | H42 | 177.2° | 179.8° |
| C22 | C23 | C25 | C27 | 0.1° | 0.0° |
| C22 | C23 | C25 | H43 | 179.9° | 180.0° |
| C24 | C22 | C23 | C25 | 1.4° | 0.3° |
| C24 | C22 | C23 | H41 | 178.6° | 179.7° |
| C22 | C24 | C26 | H42 | 180.0° | 180.0° |
| C22 | C24 | C26 | C27 | 3.0° | 0.0° |
| C22 | C24 | C26 | H44 | 177.0° | 180.0° |
| C23 | C25 | C27 | H43 | 180.0° | 180.0° |
| C23 | C25 | C27 | C26 | 0.0° | 0.2° |
| C23 | C25 | C27 | H45 | 180.0° | 180.0° |
| H41 | C23 | C25 | C27 | 179.9° | 179.9° |
| H41 | C23 | C25 | H43 | 0.1° | 0.0° |
| C24 | C26 | C27 | C25 | 1.5° | 0.2° |
| C24 | C26 | C27 | H44 | 180.0° | 180.0° |
| C24 | C26 | C27 | H45 | 178.5° | 180.0° |
| H42 | C24 | C26 | C27 | 177.0° | 180.0° |
| H42 | C24 | C26 | H44 | 3.0° | 0.0° |
| C25 | C27 | C26 | H45 | 180.0° | 179.8° |
| C25 | C27 | C26 | H44 | 178.4° | 179.8° |
| H43 | C25 | C27 | C26 | 180.0° | 179.8° |
| H43 | C25 | C27 | H45 | 0.0° | 0.1° |
| H44 | C26 | C27 | H45 | 1.5° | 0.1° |
| C28 | N7 | H46 | C20 | 180.0° | 179.9° |
| N7 | C28 | C29 | C30 | 115.3° | 120.0° |
| N7 | C28 | C29 | H47 | 122.0° | 120.1° |
| N7 | C28 | C30 | H47 | 121.1° | 120.1° |
| N7 | C28 | C29 | O4 | 45.7° | 0.0° |
| N7 | C28 | C30 | C31 | 177.6° | 65.0° |
| N7 | C28 | C30 | H48 | 61.4° | 55.0° |
| N7 | C28 | C30 | H49 | 56.5° | 175.0° |
| N7 | C28 | C29 | N8 | 134.9° | 179.9° |
| H46 | N7 | C28 | C29 | 12.5° | 24.9° |
| H46 | N7 | C28 | C30 | 105.3° | 95.1° |
| H46 | N7 | C28 | H47 | 134.2° | 144.9° |
| C29 | C28 | C30 | H47 | 123.0° | 119.9° |
| C28 | C29 | O4 | N8 | 179.4° | 179.9° |
| C29 | C28 | C30 | C31 | 61.6° | 175.0° |
| C29 | C28 | C30 | H48 | 177.3° | 65.0° |
| C29 | C28 | C30 | H49 | 59.4° | 55.0° |
| C28 | C29 | N8 | C33 | 176.2° | 180.0° |
| C28 | C29 | N8 | H53 | 3.8° | 0.0° |
| C29 | C28 | N7 | C20 | 167.6° | 155.0° |
| C30 | C28 | C29 | O4 | 69.6° | 120.0° |
| C28 | C30 | C31 | H48 | 121.0° | 120.1° |
| C28 | C30 | C31 | H49 | 121.0° | 120.0° |
| C28 | C30 | H48 | H49 | 116.6° | 120.0° |
| C28 | C30 | C31 | C32 | 76.6° | 180.0° |
| C28 | C30 | C31 | H50 | 43.2° | 60.0° |
| C28 | C30 | C31 | H51 | 163.6° | 60.0° |
| C30 | C28 | N7 | C20 | 74.7° | 85.0° |
| C30 | C28 | C29 | N8 | 109.9° | 60.0° |
| H47 | C28 | C29 | O4 | 167.6° | 120.1° |
| H47 | C28 | C30 | C31 | 61.4° | 55.0° |
| H47 | C28 | C30 | H48 | 59.7° | 175.1° |
| H47 | C28 | C30 | H49 | 177.6° | 65.0° |
| H47 | C28 | N7 | C20 | 45.8° | 35.0° |
| H47 | C28 | C29 | N8 | 12.9° | 60.0° |
| O4 | C29 | N8 | C33 | 4.3° | 0.1° |
| O4 | C29 | N8 | H53 | 175.6° | 180.0° |
| C31 | C30 | H48 | H49 | 116.7° | 119.9° |
| C30 | C31 | C32 | H50 | 119.8° | 120.0° |
| C30 | C31 | C32 | H51 | 119.8° | 120.0° |
| C30 | C31 | H50 | H51 | 120.7° | 120.0° |
| C30 | C31 | C32 | O5 | 40.0° | 0.1° |
| C30 | C31 | C32 | O6 | 137.8° | 180.0° |
| H48 | C30 | C31 | C32 | 162.3° | 60.0° |
| H48 | C30 | C31 | H50 | 77.9° | 179.9° |
| H48 | C30 | C31 | H51 | 42.5° | 60.0° |
| H49 | C30 | C31 | C32 | 44.4° | 59.9° |
| H49 | C30 | C31 | H50 | 164.2° | 60.0° |
| H49 | C30 | C31 | H51 | 75.4° | 179.9° |
| C32 | C31 | H50 | H51 | 120.7° | 120.0° |
| C31 | C32 | O5 | O6 | 177.9° | 179.9° |
| C31 | C32 | O6 | H52 | 177.9° | 179.9° |
| H50 | C31 | C32 | O5 | 159.8° | 120.0° |
| H50 | C31 | C32 | O6 | 18.1° | 60.1° |
| H51 | C31 | C32 | O5 | 79.8° | 119.9° |
| H51 | C31 | C32 | O6 | 102.4° | 60.0° |
| O5 | C32 | O6 | H52 | 0.0° | 0.0° |
| C33 | N8 | H53 | C29 | 180.0° | 180.0° |
| N8 | C33 | C34 | C35 | 115.7° | 120.1° |
| N8 | C33 | C34 | H54 | 122.4° | 120.0° |
| N8 | C33 | C35 | H54 | 121.2° | 120.0° |
| N8 | C33 | C34 | O7 | 7.5° | 0.1° |
| N8 | C33 | C35 | H55 | 180.0° | 180.0° |
| N8 | C33 | C35 | H56 | 60.0° | 60.0° |
| N8 | C33 | C35 | H57 | 60.0° | 60.0° |
| N8 | C33 | C34 | N9 | 174.6° | 180.0° |
| H53 | N8 | C33 | C34 | 12.0° | 25.0° |
| H53 | N8 | C33 | C35 | 106.1° | 95.0° |
| H53 | N8 | C33 | H54 | 133.6° | 145.0° |
| C34 | C33 | C35 | H54 | 122.1° | 120.0° |
| C33 | C34 | O7 | N9 | 177.7° | 179.9° |
| C34 | C33 | C35 | H55 | 63.3° | 60.0° |
| C34 | C33 | C35 | H56 | 176.7° | 180.0° |
| C34 | C33 | C35 | H57 | 56.7° | 60.0° |
| C33 | C34 | N9 | C36 | 176.1° | 180.0° |
| C33 | C34 | N9 | H58 | 3.9° | 0.0° |
| C34 | C33 | N8 | C29 | 168.0° | 155.0° |
| C35 | C33 | C34 | O7 | 108.2° | 120.0° |
| C33 | C35 | H55 | H56 | 120.0° | 120.1° |
| C33 | C35 | H55 | H57 | 120.0° | 120.0° |
| C33 | C35 | H56 | H57 | 120.0° | 120.0° |
| C35 | C33 | N8 | C29 | 73.9° | 84.9° |
| C35 | C33 | C34 | N9 | 69.7° | 59.9° |
| H54 | C33 | C34 | O7 | 129.9° | 120.0° |
| H54 | C33 | C35 | H55 | 58.8° | 60.0° |
| H54 | C33 | C35 | H56 | 61.2° | 60.0° |
| H54 | C33 | C35 | H57 | 178.8° | 180.0° |
| H54 | C33 | N8 | C29 | 46.4° | 35.0° |
| H54 | C33 | C34 | N9 | 52.3° | 60.0° |
| O7 | C34 | N9 | C36 | 6.1° | 0.1° |
| O7 | C34 | N9 | H58 | 173.9° | 179.9° |
| H55 | C35 | H56 | H57 | 120.0° | 119.9° |
| C36 | N9 | H58 | C34 | 180.0° | 180.0° |
| N9 | C36 | C37 | C38 | 123.7° | 120.0° |
| N9 | C36 | C37 | H59 | 116.5° | 120.0° |
| N9 | C36 | C38 | H59 | 119.1° | 120.1° |
| N9 | C36 | C37 | O8 | 82.9° | 0.0° |
| N9 | C36 | C37 | O9 | 94.5° | 180.0° |
| N9 | C36 | C38 | C39 | 112.7° | 65.0° |
| N9 | C36 | C38 | H61 | 7.6° | 54.9° |
| N9 | C36 | C38 | H62 | 127.0° | 175.0° |
| H58 | N9 | C36 | C37 | 121.4° | 95.0° |
| H58 | N9 | C36 | C38 | 112.9° | 25.0° |
| H58 | N9 | C36 | H59 | 5.4° | 145.0° |
| C37 | C36 | C38 | H59 | 120.1° | 119.9° |
| C36 | C37 | O8 | O9 | 177.5° | 179.9° |
| C36 | C37 | O9 | H60 | 177.5° | 180.0° |
| C37 | C36 | C38 | C39 | 126.4° | 175.0° |
| C37 | C36 | C38 | H61 | 113.2° | 65.0° |
| C37 | C36 | C38 | H62 | 6.1° | 55.0° |
| C37 | C36 | N9 | C34 | 58.6° | 85.1° |
| C38 | C36 | C37 | O8 | 40.7° | 120.0° |
| C38 | C36 | C37 | O9 | 141.8° | 60.0° |
| C36 | C38 | C39 | H61 | 120.3° | 120.0° |
| C36 | C38 | C39 | H62 | 120.3° | 120.0° |
| C36 | C38 | H61 | H62 | 119.0° | 120.0° |
| C36 | C38 | C39 | C40 | 164.4° | 180.0° |
| C36 | C38 | C39 | H63 | 43.9° | 60.0° |
| C36 | C38 | C39 | H64 | 75.0° | 60.0° |
| C38 | C36 | N9 | C34 | 67.1° | 155.0° |
| H59 | C36 | C37 | O8 | 160.6° | 120.0° |
| H59 | C36 | C37 | O9 | 21.9° | 59.9° |
| H59 | C36 | C38 | C39 | 6.3° | 55.1° |
| H59 | C36 | C38 | H61 | 126.7° | 175.0° |
| H59 | C36 | C38 | H62 | 114.0° | 65.0° |
| H59 | C36 | N9 | C34 | 174.5° | 34.9° |
| O8 | C37 | O9 | H60 | 0.0° | 0.1° |
| C39 | C38 | H61 | H62 | 119.0° | 120.0° |
| C38 | C39 | C40 | H63 | 120.5° | 120.0° |
| C38 | C39 | C40 | H64 | 120.6° | 120.0° |
| C38 | C39 | H63 | H64 | 118.4° | 120.0° |
| C38 | C39 | C40 | C41 | 89.5° | 180.0° |
| C38 | C39 | C40 | H65 | 150.2° | 60.0° |
| C38 | C39 | C40 | H66 | 30.8° | 60.0° |
| H61 | C38 | C39 | C40 | 75.2° | 60.0° |
| H61 | C38 | C39 | H63 | 164.3° | 180.0° |
| H61 | C38 | C39 | H64 | 45.3° | 60.0° |
| H62 | C38 | C39 | C40 | 44.1° | 60.0° |
| H62 | C38 | C39 | H63 | 76.4° | 60.0° |
| H62 | C38 | C39 | H64 | 164.7° | 180.0° |
| C40 | C39 | H63 | H64 | 118.3° | 120.0° |
| C39 | C40 | C41 | H65 | 120.3° | 120.0° |
| C39 | C40 | C41 | H66 | 120.3° | 120.0° |
| C39 | C40 | H65 | H66 | 119.2° | 120.0° |
| C39 | C40 | C41 | H67 | 180.0° | 60.0° |
| C39 | C40 | C41 | H68 | 60.0° | 60.0° |
| C39 | C40 | C41 | H69 | 60.0° | 180.0° |
| H63 | C39 | C40 | C41 | 31.0° | 60.0° |
| H63 | C39 | C40 | H65 | 89.2° | 180.0° |
| H63 | C39 | C40 | H66 | 151.3° | 60.0° |
| H64 | C39 | C40 | C41 | 149.9° | 60.0° |
| H64 | C39 | C40 | H65 | 29.7° | 59.9° |
| H64 | C39 | C40 | H66 | 89.8° | 179.9° |
| C41 | C40 | H65 | H66 | 119.2° | 120.0° |
| C40 | C41 | H67 | H68 | 120.0° | 120.0° |
| C40 | C41 | H67 | H69 | 120.0° | 120.0° |
| C40 | C41 | H68 | H69 | 120.0° | 120.1° |
| H65 | C40 | C41 | H67 | 59.7° | 180.0° |
| H65 | C40 | C41 | H68 | 179.7° | 60.0° |
| H65 | C40 | C41 | H69 | 60.3° | 60.0° |
| H66 | C40 | C41 | H67 | 59.7° | 60.0° |
| H66 | C40 | C41 | H68 | 60.2° | 180.0° |
| H66 | C40 | C41 | H69 | 179.7° | 59.9° |
| H67 | C41 | H68 | H69 | 120.0° | 119.9° |
