PRD_000228
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | H1 | sing | 1.09Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C2 | H3 | sing | 1.09Å | 0.00Å | |
| N1 | C3 | sing | 1.47Å | 1.43Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.17Å | |
| C5 | O3 | sing | 1.43Å | 1.37Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| N2 | C6 | sing | 1.47Å | 1.46Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O4 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.46Å | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | O5 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | O6 | doub | 1.21Å | 1.22Å | |
| C15 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C16 | O7 | sing | 1.43Å | 1.26Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| N5 | C23 | sing | 1.46Å | 1.45Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| O7 | H28 | sing | 0.97Å | 0.95Å | |
| C17 | C24 | sing | 1.51Å | 1.50Å | |
| N6 | C24 | sing | 1.47Å | 1.43Å | |
| O8 | C17 | doub | 1.21Å | 1.21Å | |
| C18 | N6 | sing | 1.48Å | 1.45Å | |
| C18 | C30 | sing | 1.55Å | 1.49Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | C16 | sing | 1.53Å | 1.54Å | |
| C19 | N6 | sing | 1.47Å | 1.35Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | H33 | sing | 1.08Å | 1.08Å | |
| C21 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | H34 | sing | 1.08Å | 1.08Å | |
| C22 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | H35 | sing | 1.08Å | 1.08Å | |
| C23 | C16 | sing | 1.53Å | 1.48Å | |
| C23 | C25 | sing | 1.53Å | 1.55Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | C26 | sing | 1.54Å | 1.56Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | H42 | sing | 1.08Å | 1.08Å | |
| C28 | C22 | doub | 1.38Å | 1.36Å | Aromatic |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| C29 | C25 | sing | 1.51Å | 1.54Å | |
| C30 | C26 | sing | 1.55Å | 1.48Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| N7 | C31 | sing | 1.46Å | 1.46Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | O9 | doub | 1.21Å | 1.22Å | |
| C33 | C34 | sing | 1.53Å | 1.49Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | C36 | sing | 1.53Å | 1.50Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| N8 | C37 | sing | 1.47Å | 1.46Å | |
| N8 | H57 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.50Å | |
| C37 | C39 | sing | 1.53Å | 1.55Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | O10 | doub | 1.21Å | 1.22Å | |
| C38 | O11 | sing | 1.34Å | 1.25Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | C41 | sing | 1.53Å | 1.54Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C40 | H62 | sing | 1.09Å | 1.10Å | |
| C41 | H63 | sing | 1.09Å | 1.10Å | |
| C41 | H64 | sing | 1.09Å | 1.10Å | |
| C41 | H65 | sing | 1.09Å | 1.10Å | |
| C42 | O11 | sing | 1.45Å | 1.56Å | |
| C42 | H66 | sing | 1.09Å | 1.10Å | |
| C42 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H68 | sing | 1.09Å | 1.10Å | |
| C13 | N5 | sing | 1.35Å | 1.32Å | |
| C17 | N7 | sing | 1.35Å | 1.35Å | |
| C32 | N8 | sing | 1.35Å | 1.33Å | |
| C1 | N1 | sing | 1.35Å | 24.82Å | |
| C4 | N2 | sing | 1.35Å | 1.41Å | |
| C7 | N3 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 90.0° | 120.0° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | C2 | H1 | 90.0° | 109.5° |
| C1 | C2 | H2 | 90.0° | 109.5° |
| C1 | C2 | H3 | 90.0° | 109.5° |
| C2 | C1 | N1 | 90.0° | 120.0° |
| H1 | C2 | H2 | 90.0° | 109.5° |
| H1 | C2 | H3 | 90.0° | 109.5° |
| H2 | C2 | H3 | 90.0° | 109.5° |
| C3 | N1 | H4 | 125.9° | 120.0° |
| N1 | C3 | C4 | 106.6° | 109.5° |
| N1 | C3 | C5 | 108.5° | 109.5° |
| N1 | C3 | H5 | 111.1° | 109.5° |
| C3 | N1 | C1 | 108.2° | 120.0° |
| H4 | N1 | C1 | 125.9° | 120.0° |
| C4 | C3 | C5 | 111.3° | 109.5° |
| C4 | C3 | H5 | 109.8° | 109.4° |
| C3 | C4 | O2 | 117.3° | 120.0° |
| C3 | C4 | N2 | 110.4° | 120.0° |
| C5 | C3 | H5 | 109.5° | 109.4° |
| C3 | C5 | O3 | 102.9° | 109.5° |
| C3 | C5 | H6 | 111.1° | 109.5° |
| C3 | C5 | H7 | 111.1° | 109.5° |
| O2 | C4 | N2 | 130.4° | 120.0° |
| O3 | C5 | H6 | 111.1° | 109.4° |
| O3 | C5 | H7 | 111.1° | 109.4° |
| C5 | O3 | H8 | 109.5° | 114.1° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C6 | N2 | H9 | 119.5° | 120.0° |
| N2 | C6 | C7 | 110.6° | 109.4° |
| N2 | C6 | C8 | 112.6° | 109.5° |
| N2 | C6 | H10 | 108.5° | 109.5° |
| C6 | N2 | C4 | 120.9° | 120.0° |
| H9 | N2 | C4 | 119.6° | 120.0° |
| C7 | C6 | C8 | 109.2° | 109.5° |
| C7 | C6 | H10 | 108.1° | 109.5° |
| C6 | C7 | O4 | 123.6° | 120.0° |
| C6 | C7 | N3 | 114.2° | 120.0° |
| C8 | C6 | H10 | 107.8° | 109.5° |
| C6 | C8 | C9 | 116.8° | 109.5° |
| C6 | C8 | H11 | 107.6° | 109.5° |
| C6 | C8 | H12 | 107.6° | 109.5° |
| O4 | C7 | N3 | 122.2° | 120.0° |
| C9 | C8 | H11 | 107.6° | 109.5° |
| C9 | C8 | H12 | 107.6° | 109.4° |
| C8 | C9 | C10 | 109.6° | 109.4° |
| C8 | C9 | C11 | 109.3° | 109.5° |
| C8 | C9 | H13 | 107.8° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| C10 | C9 | C11 | 113.9° | 109.5° |
| C10 | C9 | H13 | 108.2° | 109.5° |
| C9 | C10 | H14 | 109.5° | 109.5° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| C11 | C9 | H13 | 107.9° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.5° |
| C9 | C11 | H18 | 109.4° | 109.5° |
| C9 | C11 | H19 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.4° | 109.5° |
| H14 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| C12 | N3 | H20 | 119.1° | 120.0° |
| N3 | C12 | C13 | 110.5° | 109.5° |
| N3 | C12 | C14 | 111.7° | 109.5° |
| N3 | C12 | H21 | 108.3° | 109.5° |
| C12 | N3 | C7 | 121.9° | 120.0° |
| H20 | N3 | C7 | 119.0° | 120.0° |
| C13 | C12 | C14 | 111.0° | 109.5° |
| C13 | C12 | H21 | 107.7° | 109.4° |
| C12 | C13 | O5 | 119.5° | 119.9° |
| C12 | C13 | N5 | 115.0° | 120.0° |
| C14 | C12 | H21 | 107.5° | 109.5° |
| C12 | C14 | C15 | 112.0° | 109.5° |
| C12 | C14 | H22 | 108.8° | 109.5° |
| C12 | C14 | H23 | 108.8° | 109.4° |
| O5 | C13 | N5 | 125.5° | 120.0° |
| C15 | C14 | H22 | 108.9° | 109.5° |
| C15 | C14 | H23 | 108.8° | 109.5° |
| C14 | C15 | O6 | 120.9° | 120.0° |
| C14 | C15 | N4 | 113.8° | 119.9° |
| H22 | C14 | H23 | 109.4° | 109.5° |
| O6 | C15 | N4 | 124.9° | 120.0° |
| C15 | N4 | H24 | 120.0° | 120.0° |
| C15 | N4 | H25 | 120.0° | 120.0° |
| H24 | N4 | H25 | 120.0° | 120.0° |
| O7 | C16 | H26 | 93.9° | 109.5° |
| C16 | O7 | H28 | 109.5° | 114.0° |
| O7 | C16 | C19 | 123.1° | 109.5° |
| O7 | C16 | C23 | 122.4° | 109.4° |
| H26 | C16 | C19 | 93.2° | 109.5° |
| H26 | C16 | C23 | 93.3° | 109.4° |
| C23 | N5 | H27 | 116.9° | 120.0° |
| N5 | C23 | C16 | 101.8° | 109.5° |
| N5 | C23 | C25 | 111.3° | 109.5° |
| N5 | C23 | H36 | 110.7° | 109.4° |
| C23 | N5 | C13 | 126.1° | 120.0° |
| H27 | N5 | C13 | 116.9° | 120.0° |
| C17 | C24 | N6 | 120.1° | 109.9° |
| C24 | C17 | O8 | 124.3° | 120.0° |
| C17 | C24 | C26 | 107.6° | 109.9° |
| C17 | C24 | H37 | 108.9° | 109.9° |
| C24 | C17 | N7 | 113.7° | 120.0° |
| C24 | N6 | C18 | 116.6° | 108.6° |
| C24 | N6 | C19 | 117.5° | 111.0° |
| N6 | C24 | C26 | 101.5° | 107.2° |
| N6 | C24 | H37 | 109.9° | 109.9° |
| O8 | C17 | N7 | 121.8° | 120.0° |
| N6 | C18 | C30 | 101.3° | 104.8° |
| N6 | C18 | H29 | 111.5° | 110.4° |
| N6 | C18 | H30 | 111.5° | 110.3° |
| C18 | N6 | C19 | 120.5° | 111.0° |
| C30 | C18 | H29 | 111.5° | 110.4° |
| C30 | C18 | H30 | 111.5° | 110.4° |
| C18 | C30 | C26 | 108.1° | 101.7° |
| C18 | C30 | H44 | 109.8° | 111.0° |
| C18 | C30 | H45 | 109.8° | 111.0° |
| H29 | C18 | H30 | 109.5° | 110.4° |
| C16 | C19 | N6 | 134.2° | 109.4° |
| C16 | C19 | H31 | 103.0° | 109.5° |
| C16 | C19 | H32 | 103.0° | 109.5° |
| C19 | C16 | C23 | 113.3° | 109.4° |
| N6 | C19 | H31 | 103.0° | 109.5° |
| N6 | C19 | H32 | 103.0° | 109.4° |
| H31 | C19 | H32 | 109.5° | 109.6° |
| C27 | C20 | C28 | 121.1° | 120.0° |
| C27 | C20 | H33 | 119.4° | 120.0° |
| C20 | C27 | C21 | 117.4° | 120.0° |
| C20 | C27 | H42 | 121.3° | 120.0° |
| C28 | C20 | H33 | 119.5° | 120.0° |
| C20 | C28 | C22 | 119.2° | 120.0° |
| C20 | C28 | H43 | 120.4° | 120.0° |
| C29 | C21 | H34 | 118.9° | 120.0° |
| C21 | C29 | C22 | 119.0° | 120.0° |
| C29 | C21 | C27 | 122.1° | 120.0° |
| C21 | C29 | C25 | 122.0° | 120.0° |
| H34 | C21 | C27 | 118.9° | 120.0° |
| C29 | C22 | H35 | 119.4° | 120.0° |
| C29 | C22 | C28 | 121.2° | 120.0° |
| C22 | C29 | C25 | 119.0° | 120.0° |
| H35 | C22 | C28 | 119.4° | 119.9° |
| C16 | C23 | C25 | 113.3° | 109.5° |
| C16 | C23 | H36 | 110.3° | 109.4° |
| C25 | C23 | H36 | 109.4° | 109.5° |
| C23 | C25 | H38 | 109.3° | 109.5° |
| C23 | C25 | H39 | 109.3° | 109.5° |
| C23 | C25 | C29 | 110.1° | 109.5° |
| C26 | C24 | H37 | 108.1° | 110.0° |
| C24 | C26 | H40 | 110.8° | 110.7° |
| C24 | C26 | H41 | 110.8° | 110.7° |
| C24 | C26 | C30 | 104.2° | 103.0° |
| H38 | C25 | H39 | 109.4° | 109.4° |
| H38 | C25 | C29 | 109.3° | 109.5° |
| H39 | C25 | C29 | 109.3° | 109.5° |
| H40 | C26 | H41 | 109.5° | 110.6° |
| H40 | C26 | C30 | 110.8° | 110.7° |
| H41 | C26 | C30 | 110.8° | 110.8° |
| C21 | C27 | H42 | 121.3° | 120.0° |
| C22 | C28 | H43 | 120.4° | 120.0° |
| C26 | C30 | H44 | 109.8° | 111.0° |
| C26 | C30 | H45 | 109.8° | 111.0° |
| H44 | C30 | H45 | 109.5° | 110.9° |
| C31 | N7 | H46 | 118.2° | 120.0° |
| N7 | C31 | C32 | 105.8° | 109.5° |
| N7 | C31 | C33 | 114.6° | 109.5° |
| N7 | C31 | H47 | 109.2° | 109.5° |
| C31 | N7 | C17 | 123.6° | 120.0° |
| H46 | N7 | C17 | 118.2° | 120.0° |
| C32 | C31 | C33 | 110.1° | 109.5° |
| C32 | C31 | H47 | 108.6° | 109.4° |
| C31 | C32 | O9 | 119.2° | 120.0° |
| C31 | C32 | N8 | 116.9° | 120.0° |
| C33 | C31 | H47 | 108.3° | 109.5° |
| C31 | C33 | C34 | 107.3° | 109.5° |
| C31 | C33 | C35 | 109.1° | 109.5° |
| C31 | C33 | H48 | 108.4° | 109.5° |
| O9 | C32 | N8 | 123.8° | 120.0° |
| C34 | C33 | C35 | 114.1° | 109.5° |
| C34 | C33 | H48 | 109.0° | 109.5° |
| C33 | C34 | C36 | 115.4° | 109.5° |
| C33 | C34 | H49 | 108.0° | 109.5° |
| C33 | C34 | H50 | 108.0° | 109.5° |
| C35 | C33 | H48 | 108.7° | 109.5° |
| C33 | C35 | H51 | 109.5° | 109.5° |
| C33 | C35 | H52 | 109.5° | 109.5° |
| C33 | C35 | H53 | 109.5° | 109.5° |
| C36 | C34 | H49 | 108.0° | 109.4° |
| C36 | C34 | H50 | 107.9° | 109.4° |
| C34 | C36 | H54 | 109.5° | 109.4° |
| C34 | C36 | H55 | 109.5° | 109.4° |
| C34 | C36 | H56 | 109.5° | 109.5° |
| H49 | C34 | H50 | 109.5° | 109.5° |
| H51 | C35 | H52 | 109.4° | 109.4° |
| H51 | C35 | H53 | 109.4° | 109.5° |
| H52 | C35 | H53 | 109.5° | 109.5° |
| H54 | C36 | H55 | 109.5° | 109.5° |
| H54 | C36 | H56 | 109.5° | 109.5° |
| H55 | C36 | H56 | 109.5° | 109.5° |
| C37 | N8 | H57 | 119.2° | 119.9° |
| N8 | C37 | C38 | 109.4° | 109.5° |
| N8 | C37 | C39 | 109.1° | 109.5° |
| N8 | C37 | H58 | 109.8° | 109.4° |
| C37 | N8 | C32 | 121.7° | 120.0° |
| H57 | N8 | C32 | 119.1° | 120.1° |
| C38 | C37 | C39 | 110.6° | 109.5° |
| C38 | C37 | H58 | 109.3° | 109.5° |
| C37 | C38 | O10 | 128.4° | 120.0° |
| C37 | C38 | O11 | 113.3° | 120.0° |
| C39 | C37 | H58 | 108.6° | 109.5° |
| C37 | C39 | C40 | 110.4° | 109.4° |
| C37 | C39 | C41 | 107.2° | 109.5° |
| C37 | C39 | H59 | 109.2° | 109.4° |
| O10 | C38 | O11 | 118.3° | 120.1° |
| C38 | O11 | C42 | 110.7° | 117.0° |
| C40 | C39 | C41 | 110.8° | 109.5° |
| C40 | C39 | H59 | 109.7° | 109.5° |
| C39 | C40 | H60 | 109.5° | 109.5° |
| C39 | C40 | H61 | 109.5° | 109.4° |
| C39 | C40 | H62 | 109.5° | 109.5° |
| C41 | C39 | H59 | 109.4° | 109.5° |
| C39 | C41 | H63 | 109.5° | 109.5° |
| C39 | C41 | H64 | 109.5° | 109.5° |
| C39 | C41 | H65 | 109.5° | 109.5° |
| H60 | C40 | H61 | 109.5° | 109.4° |
| H60 | C40 | H62 | 109.4° | 109.5° |
| H61 | C40 | H62 | 109.5° | 109.5° |
| H63 | C41 | H64 | 109.5° | 109.4° |
| H63 | C41 | H65 | 109.5° | 109.5° |
| H64 | C41 | H65 | 109.4° | 109.5° |
| O11 | C42 | H66 | 109.5° | 109.5° |
| O11 | C42 | H67 | 109.5° | 109.5° |
| O11 | C42 | H68 | 109.5° | 109.4° |
| H66 | C42 | H67 | 109.4° | 109.5° |
| H66 | C42 | H68 | 109.4° | 109.5° |
| H67 | C42 | H68 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 90.0° | 179.7° |
| O1 | C1 | C2 | H1 | 90.0° | 0.0° |
| O1 | C1 | C2 | H2 | 90.0° | 120.0° |
| O1 | C1 | C2 | H3 | 90.0° | 120.0° |
| O1 | C1 | N1 | C3 | 90.0° | 0.1° |
| O1 | C1 | N1 | H4 | 90.0° | 180.0° |
| C1 | C2 | H1 | H2 | 90.0° | 120.0° |
| C1 | C2 | H1 | H3 | 90.0° | 120.0° |
| C1 | C2 | H2 | H3 | 90.0° | 120.0° |
| C2 | C1 | N1 | C3 | 90.0° | 179.7° |
| C2 | C1 | N1 | H4 | 90.0° | 0.3° |
| H1 | C2 | H2 | H3 | 90.0° | 120.0° |
| H1 | C2 | C1 | N1 | 90.0° | 179.7° |
| H2 | C2 | C1 | N1 | 90.0° | 59.7° |
| H3 | C2 | C1 | N1 | 90.0° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 118.1° | 120.1° |
| N1 | C3 | C4 | H5 | 120.5° | 120.0° |
| N1 | C3 | C5 | H5 | 121.5° | 120.0° |
| N1 | C3 | C4 | O2 | 63.2° | 0.1° |
| N1 | C3 | C5 | O3 | 66.5° | 65.0° |
| N1 | C3 | C5 | H6 | 52.4° | 175.0° |
| N1 | C3 | C5 | H7 | 174.6° | 55.0° |
| N1 | C3 | C4 | N2 | 130.9° | 180.0° |
| H4 | N1 | C3 | C4 | 153.4° | 25.0° |
| H4 | N1 | C3 | C5 | 33.4° | 95.0° |
| H4 | N1 | C3 | H5 | 87.1° | 145.0° |
| C4 | C3 | C5 | H5 | 121.6° | 119.9° |
| C3 | C4 | O2 | N2 | 162.6° | 179.9° |
| C4 | C3 | C5 | O3 | 176.6° | 55.0° |
| C4 | C3 | C5 | H6 | 64.5° | 64.9° |
| C4 | C3 | C5 | H7 | 57.6° | 175.0° |
| C3 | C4 | N2 | C6 | 176.2° | 175.0° |
| C3 | C4 | N2 | H9 | 3.8° | 5.0° |
| C4 | C3 | N1 | C1 | 26.6° | 155.0° |
| C5 | C3 | C4 | O2 | 54.9° | 120.0° |
| C3 | C5 | O3 | H6 | 118.9° | 120.0° |
| C3 | C5 | O3 | H7 | 118.9° | 120.0° |
| C3 | C5 | H6 | H7 | 123.1° | 120.1° |
| C3 | C5 | O3 | H8 | 180.0° | 179.9° |
| C5 | C3 | N1 | C1 | 146.6° | 84.9° |
| C5 | C3 | C4 | N2 | 111.0° | 59.9° |
| H5 | C3 | C4 | O2 | 176.4° | 120.1° |
| H5 | C3 | C5 | O3 | 55.0° | 175.0° |
| H5 | C3 | C5 | H6 | 173.9° | 55.0° |
| H5 | C3 | C5 | H7 | 64.0° | 65.0° |
| H5 | C3 | N1 | C1 | 92.9° | 35.0° |
| H5 | C3 | C4 | N2 | 10.4° | 60.0° |
| O2 | C4 | N2 | C6 | 12.6° | 5.0° |
| O2 | C4 | N2 | H9 | 167.4° | 175.0° |
| O3 | C5 | H6 | H7 | 123.0° | 119.9° |
| H6 | C5 | O3 | H8 | 61.1° | 60.0° |
| H7 | C5 | O3 | H8 | 61.1° | 59.9° |
| C6 | N2 | H9 | C4 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 124.4° | 120.0° |
| N2 | C6 | C7 | H10 | 118.6° | 120.0° |
| N2 | C6 | C8 | H10 | 119.6° | 120.0° |
| N2 | C6 | C7 | O4 | 44.7° | 15.8° |
| N2 | C6 | C8 | C9 | 66.0° | 173.2° |
| N2 | C6 | C8 | H11 | 55.0° | 53.2° |
| N2 | C6 | C8 | H12 | 172.9° | 66.9° |
| N2 | C6 | C7 | N3 | 132.6° | 164.3° |
| H9 | N2 | C6 | C7 | 54.8° | 28.4° |
| H9 | N2 | C6 | C8 | 67.6° | 91.6° |
| H9 | N2 | C6 | H10 | 173.2° | 148.4° |
| C7 | C6 | C8 | H10 | 117.2° | 120.0° |
| C6 | C7 | O4 | N3 | 177.1° | 179.9° |
| C7 | C6 | C8 | C9 | 170.8° | 66.8° |
| C7 | C6 | C8 | H11 | 68.2° | 173.1° |
| C7 | C6 | C8 | H12 | 49.7° | 53.1° |
| C6 | C7 | N3 | C12 | 166.5° | 173.7° |
| C6 | C7 | N3 | H20 | 13.5° | 6.2° |
| C7 | C6 | N2 | C4 | 125.2° | 151.6° |
| C8 | C6 | C7 | O4 | 79.7° | 104.2° |
| C6 | C8 | C9 | H11 | 121.1° | 120.0° |
| C6 | C8 | C9 | H12 | 121.1° | 120.0° |
| C6 | C8 | H11 | H12 | 116.7° | 120.1° |
| C6 | C8 | C9 | C10 | 177.8° | 66.4° |
| C6 | C8 | C9 | C11 | 56.8° | 173.7° |
| C6 | C8 | C9 | H13 | 60.3° | 53.6° |
| C8 | C6 | N2 | C4 | 112.4° | 88.4° |
| C8 | C6 | C7 | N3 | 103.0° | 75.7° |
| H10 | C6 | C7 | O4 | 163.3° | 135.8° |
| H10 | C6 | C8 | C9 | 53.6° | 53.2° |
| H10 | C6 | C8 | H11 | 174.6° | 66.8° |
| H10 | C6 | C8 | H12 | 67.5° | 173.1° |
| H10 | C6 | N2 | C4 | 6.8° | 31.7° |
| H10 | C6 | C7 | N3 | 14.0° | 44.3° |
| O4 | C7 | N3 | C12 | 10.9° | 6.4° |
| O4 | C7 | N3 | H20 | 169.1° | 173.7° |
| C9 | C8 | H11 | H12 | 116.7° | 119.9° |
| C8 | C9 | C10 | C11 | 122.8° | 120.0° |
| C8 | C9 | C10 | H13 | 117.2° | 119.9° |
| C8 | C9 | C11 | H13 | 116.9° | 120.0° |
| C8 | C9 | C10 | H14 | 180.0° | 175.9° |
| C8 | C9 | C10 | H15 | 60.0° | 55.9° |
| C8 | C9 | C10 | H16 | 60.0° | 64.1° |
| C8 | C9 | C11 | H17 | 180.0° | 60.0° |
| C8 | C9 | C11 | H18 | 60.0° | 180.0° |
| C8 | C9 | C11 | H19 | 60.0° | 60.0° |
| H11 | C8 | C9 | C10 | 56.7° | 53.7° |
| H11 | C8 | C9 | C11 | 177.8° | 66.3° |
| H11 | C8 | C9 | H13 | 60.8° | 173.7° |
| H12 | C8 | C9 | C10 | 61.2° | 173.6° |
| H12 | C8 | C9 | C11 | 64.3° | 53.7° |
| H12 | C8 | C9 | H13 | 178.7° | 66.4° |
| C10 | C9 | C11 | H13 | 120.1° | 120.1° |
| C9 | C10 | H14 | H15 | 120.0° | 120.0° |
| C9 | C10 | H14 | H16 | 120.0° | 120.1° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C10 | C9 | C11 | H17 | 57.0° | 180.0° |
| C10 | C9 | C11 | H18 | 63.0° | 60.0° |
| C10 | C9 | C11 | H19 | 177.0° | 60.0° |
| C11 | C9 | C10 | H14 | 57.2° | 64.1° |
| C11 | C9 | C10 | H15 | 177.1° | 175.9° |
| C11 | C9 | C10 | H16 | 62.8° | 55.9° |
| C9 | C11 | H17 | H18 | 120.0° | 120.0° |
| C9 | C11 | H17 | H19 | 120.0° | 120.1° |
| C9 | C11 | H18 | H19 | 119.9° | 120.1° |
| H13 | C9 | C10 | H14 | 62.8° | 56.0° |
| H13 | C9 | C10 | H15 | 57.2° | 64.0° |
| H13 | C9 | C10 | H16 | 177.3° | 176.0° |
| H13 | C9 | C11 | H17 | 63.0° | 60.0° |
| H13 | C9 | C11 | H18 | 176.9° | 60.0° |
| H13 | C9 | C11 | H19 | 57.0° | 180.0° |
| H14 | C10 | H15 | H16 | 120.0° | 120.0° |
| H17 | C11 | H18 | H19 | 120.0° | 119.9° |
| C12 | N3 | H20 | C7 | 180.0° | 179.9° |
| N3 | C12 | C13 | C14 | 124.5° | 120.0° |
| N3 | C12 | C13 | H21 | 118.1° | 120.0° |
| N3 | C12 | C14 | H21 | 118.7° | 120.0° |
| N3 | C12 | C13 | O5 | 79.5° | 0.1° |
| N3 | C12 | C14 | C15 | 54.9° | 66.5° |
| N3 | C12 | C14 | H22 | 65.5° | 53.5° |
| N3 | C12 | C14 | H23 | 175.3° | 173.5° |
| N3 | C12 | C13 | N5 | 101.5° | 180.0° |
| H20 | N3 | C12 | C13 | 39.1° | 83.3° |
| H20 | N3 | C12 | C14 | 85.0° | 36.7° |
| H20 | N3 | C12 | H21 | 156.8° | 156.7° |
| C13 | C12 | C14 | H21 | 117.5° | 120.0° |
| C12 | C13 | O5 | N5 | 178.9° | 179.9° |
| C13 | C12 | C14 | C15 | 178.8° | 173.4° |
| C13 | C12 | C14 | H22 | 58.4° | 66.5° |
| C13 | C12 | C14 | H23 | 60.8° | 53.4° |
| C12 | C13 | N5 | C23 | 178.5° | 180.0° |
| C12 | C13 | N5 | H27 | 1.6° | 0.1° |
| C13 | C12 | N3 | C7 | 140.9° | 96.7° |
| C14 | C12 | C13 | O5 | 45.0° | 120.0° |
| C12 | C14 | C15 | H22 | 120.4° | 120.0° |
| C12 | C14 | C15 | H23 | 120.4° | 120.0° |
| C12 | C14 | H22 | H23 | 118.8° | 120.0° |
| C12 | C14 | C15 | O6 | 83.1° | 4.4° |
| C12 | C14 | C15 | N4 | 90.2° | 175.6° |
| C14 | C12 | C13 | N5 | 134.0° | 60.0° |
| C14 | C12 | N3 | C7 | 95.0° | 143.3° |
| H21 | C12 | C13 | O5 | 162.4° | 120.1° |
| H21 | C12 | C14 | C15 | 63.7° | 53.5° |
| H21 | C12 | C14 | H22 | 175.8° | 173.5° |
| H21 | C12 | C14 | H23 | 56.7° | 66.5° |
| H21 | C12 | C13 | N5 | 16.6° | 60.0° |
| H21 | C12 | N3 | C7 | 23.2° | 23.3° |
| O5 | C13 | N5 | C23 | 2.6° | 0.1° |
| O5 | C13 | N5 | H27 | 177.4° | 180.0° |
| C15 | C14 | H22 | H23 | 118.8° | 120.0° |
| C14 | C15 | O6 | N4 | 172.6° | 180.0° |
| C14 | C15 | N4 | H24 | 173.1° | 0.1° |
| C14 | C15 | N4 | H25 | 7.0° | 180.0° |
| H22 | C14 | C15 | O6 | 156.5° | 115.6° |
| H22 | C14 | C15 | N4 | 30.2° | 64.4° |
| H23 | C14 | C15 | O6 | 37.3° | 124.4° |
| H23 | C14 | C15 | N4 | 149.4° | 55.6° |
| O6 | C15 | N4 | H24 | 0.0° | 179.9° |
| O6 | C15 | N4 | H25 | 180.0° | 0.0° |
| C15 | N4 | H24 | H25 | 180.0° | 179.9° |
| O7 | C16 | H26 | C19 | 123.5° | 120.1° |
| O7 | C16 | H26 | C23 | 122.9° | 120.0° |
| O7 | C16 | C23 | N5 | 90.0° | 60.0° |
| O7 | C16 | C19 | C23 | 168.2° | 119.9° |
| O7 | C16 | C19 | N6 | 133.9° | 60.1° |
| O7 | C16 | C19 | H31 | 10.9° | 59.9° |
| O7 | C16 | C19 | H32 | 103.0° | 180.0° |
| O7 | C16 | C23 | C25 | 29.5° | 60.0° |
| O7 | C16 | C23 | H36 | 152.5° | 180.0° |
| H26 | C16 | C23 | N5 | 173.2° | 180.0° |
| H26 | C16 | O7 | H28 | 83.6° | 180.0° |
| H26 | C16 | C19 | C23 | 95.0° | 120.0° |
| H26 | C16 | C19 | N6 | 37.1° | 60.0° |
| H26 | C16 | C19 | H31 | 85.9° | 180.0° |
| H26 | C16 | C19 | H32 | 160.2° | 59.9° |
| H26 | C16 | C23 | C25 | 67.3° | 60.0° |
| H26 | C16 | C23 | H36 | 55.7° | 60.0° |
| C23 | N5 | H27 | C13 | 180.0° | 179.9° |
| N5 | C23 | C16 | C19 | 78.2° | 60.0° |
| N5 | C23 | C16 | C25 | 119.6° | 120.1° |
| N5 | C23 | C16 | H36 | 117.5° | 119.9° |
| N5 | C23 | C25 | H36 | 122.6° | 120.0° |
| N5 | C23 | C25 | H38 | 68.6° | 55.0° |
| N5 | C23 | C25 | H39 | 171.7° | 175.0° |
| N5 | C23 | C25 | C29 | 51.5° | 65.0° |
| H27 | N5 | C23 | C16 | 67.4° | 25.1° |
| H27 | N5 | C23 | C25 | 53.6° | 95.0° |
| H27 | N5 | C23 | H36 | 175.4° | 145.0° |
| H28 | O7 | C16 | C19 | 180.0° | 60.0° |
| H28 | O7 | C16 | C23 | 12.9° | 60.0° |
| C17 | C24 | N6 | C26 | 118.4° | 119.4° |
| C17 | C24 | N6 | H37 | 127.4° | 121.0° |
| C24 | C17 | O8 | N7 | 174.4° | 180.0° |
| C17 | C24 | N6 | C18 | 111.4° | 120.4° |
| C17 | C24 | N6 | C19 | 94.2° | 117.3° |
| C17 | C24 | C26 | H37 | 117.5° | 121.1° |
| C17 | C24 | C26 | H40 | 13.9° | 21.2° |
| C17 | C24 | C26 | H41 | 135.6° | 144.3° |
| C17 | C24 | C26 | C30 | 105.2° | 97.1° |
| C24 | C17 | N7 | C31 | 163.7° | 174.4° |
| C24 | C17 | N7 | H46 | 16.3° | 5.7° |
| N6 | C24 | C17 | O8 | 36.2° | 0.0° |
| C24 | N6 | C18 | C19 | 153.5° | 122.3° |
| C24 | N6 | C18 | C30 | 10.6° | 24.1° |
| C24 | N6 | C18 | H29 | 108.1° | 94.8° |
| C24 | N6 | C18 | H30 | 129.2° | 142.9° |
| C24 | N6 | C19 | C16 | 65.2° | 170.0° |
| C24 | N6 | C19 | H31 | 57.8° | 50.0° |
| C24 | N6 | C19 | H32 | 171.7° | 70.1° |
| N6 | C24 | C26 | H37 | 115.6° | 119.5° |
| N6 | C24 | C26 | H40 | 140.9° | 140.7° |
| N6 | C24 | C26 | H41 | 97.4° | 96.2° |
| N6 | C24 | C26 | C30 | 21.7° | 22.3° |
| N6 | C24 | C17 | N7 | 148.9° | 180.0° |
| O8 | C17 | C24 | C26 | 79.0° | 117.8° |
| O8 | C17 | C24 | H37 | 164.1° | 121.0° |
| O8 | C17 | N7 | C31 | 11.2° | 5.6° |
| O8 | C17 | N7 | H46 | 168.7° | 174.3° |
| N6 | C18 | C30 | H29 | 118.7° | 118.9° |
| N6 | C18 | C30 | H30 | 118.7° | 118.8° |
| N6 | C18 | H29 | H30 | 123.8° | 122.3° |
| C18 | N6 | C19 | C16 | 141.5° | 69.2° |
| C18 | N6 | C19 | H31 | 95.5° | 170.9° |
| C18 | N6 | C19 | H32 | 18.4° | 50.8° |
| C18 | N6 | C24 | C26 | 7.0° | 1.0° |
| C18 | N6 | C24 | H37 | 121.2° | 118.6° |
| N6 | C18 | C30 | C26 | 24.8° | 37.1° |
| N6 | C18 | C30 | H44 | 144.6° | 155.2° |
| N6 | C18 | C30 | H45 | 95.0° | 81.0° |
| C30 | C18 | H29 | H30 | 123.8° | 122.3° |
| C30 | C18 | N6 | C19 | 164.1° | 146.4° |
| C18 | C30 | C26 | C24 | 29.8° | 35.7° |
| C18 | C30 | C26 | H40 | 148.9° | 154.1° |
| C18 | C30 | C26 | H41 | 89.4° | 82.8° |
| C18 | C30 | C26 | H44 | 119.8° | 118.1° |
| C18 | C30 | C26 | H45 | 119.8° | 118.1° |
| C18 | C30 | H44 | H45 | 120.6° | 123.9° |
| H29 | C18 | N6 | C19 | 45.4° | 27.5° |
| H29 | C18 | C30 | C26 | 93.9° | 81.8° |
| H29 | C18 | C30 | H44 | 25.9° | 36.3° |
| H29 | C18 | C30 | H45 | 146.4° | 160.1° |
| H30 | C18 | N6 | C19 | 77.3° | 94.8° |
| H30 | C18 | C30 | C26 | 143.5° | 155.9° |
| H30 | C18 | C30 | H44 | 96.7° | 86.0° |
| H30 | C18 | C30 | H45 | 23.7° | 37.8° |
| C16 | C19 | N6 | H31 | 123.1° | 120.0° |
| C16 | C19 | N6 | H32 | 123.1° | 119.9° |
| C16 | C19 | H31 | H32 | 109.0° | 120.0° |
| C19 | C16 | C23 | C25 | 162.2° | 180.0° |
| C19 | C16 | C23 | H36 | 39.3° | 60.0° |
| N6 | C19 | H31 | H32 | 109.0° | 120.0° |
| N6 | C19 | C16 | C23 | 57.9° | 180.0° |
| C19 | N6 | C24 | C26 | 147.4° | 123.3° |
| C19 | N6 | C24 | H37 | 33.1° | 3.7° |
| H31 | C19 | C16 | C23 | 179.1° | 60.0° |
| H32 | C19 | C16 | C23 | 65.2° | 60.1° |
| C27 | C20 | C28 | H33 | 180.0° | 179.7° |
| C20 | C27 | C21 | C29 | 1.4° | 0.1° |
| C20 | C27 | C21 | H34 | 178.6° | 180.0° |
| C20 | C27 | C21 | H42 | 180.0° | 179.9° |
| C27 | C20 | C28 | C22 | 0.8° | 0.1° |
| C27 | C20 | C28 | H43 | 179.2° | 180.0° |
| C20 | C28 | C22 | C29 | 1.9° | 0.0° |
| C20 | C28 | C22 | H35 | 178.0° | 180.0° |
| C28 | C20 | C27 | C21 | 0.8° | 0.1° |
| C28 | C20 | C27 | H42 | 179.2° | 180.0° |
| C20 | C28 | C22 | H43 | 180.0° | 179.9° |
| H33 | C20 | C27 | C21 | 179.2° | 179.8° |
| H33 | C20 | C27 | H42 | 0.7° | 0.3° |
| H33 | C20 | C28 | C22 | 179.2° | 179.7° |
| H33 | C20 | C28 | H43 | 0.8° | 0.3° |
| C29 | C21 | H34 | C27 | 180.0° | 179.9° |
| C21 | C29 | C22 | C25 | 179.9° | 180.0° |
| C21 | C29 | C22 | H35 | 178.6° | 180.0° |
| C21 | C29 | C25 | C23 | 71.5° | 90.0° |
| C21 | C29 | C25 | H38 | 168.3° | 30.0° |
| C21 | C29 | C25 | H39 | 48.6° | 150.0° |
| C29 | C21 | C27 | H42 | 178.6° | 180.0° |
| C21 | C29 | C22 | C28 | 1.4° | 0.0° |
| H34 | C21 | C29 | C22 | 179.7° | 180.0° |
| H34 | C21 | C27 | H42 | 1.4° | 0.1° |
| H34 | C21 | C29 | C25 | 0.4° | 0.0° |
| C29 | C22 | H35 | C28 | 180.0° | 180.0° |
| C22 | C29 | C25 | C23 | 108.6° | 90.0° |
| C22 | C29 | C25 | H38 | 11.5° | 149.9° |
| C22 | C29 | C25 | H39 | 131.3° | 30.0° |
| C22 | C29 | C21 | C27 | 0.3° | 0.1° |
| C29 | C22 | C28 | H43 | 178.1° | 180.0° |
| H35 | C22 | C28 | H43 | 1.9° | 0.1° |
| H35 | C22 | C29 | C25 | 1.3° | 0.0° |
| C16 | C23 | C25 | H36 | 123.4° | 120.0° |
| C16 | C23 | C25 | H38 | 45.4° | 65.0° |
| C16 | C23 | C25 | H39 | 74.3° | 54.9° |
| C16 | C23 | C25 | C29 | 165.5° | 175.0° |
| C16 | C23 | N5 | C13 | 112.6° | 155.0° |
| C23 | C25 | H38 | H39 | 119.7° | 120.0° |
| C23 | C25 | H38 | C29 | 120.6° | 120.0° |
| C23 | C25 | H39 | C29 | 120.6° | 120.0° |
| C25 | C23 | N5 | C13 | 126.4° | 84.9° |
| H36 | C23 | C25 | H38 | 168.8° | 175.0° |
| H36 | C23 | C25 | H39 | 49.1° | 65.0° |
| H36 | C23 | C25 | C29 | 71.1° | 55.0° |
| H36 | C23 | N5 | C13 | 4.6° | 35.1° |
| C24 | C26 | H40 | H41 | 122.4° | 123.2° |
| C24 | C26 | H40 | C30 | 115.2° | 113.6° |
| C24 | C26 | H41 | C30 | 115.1° | 113.7° |
| C24 | C26 | C30 | H44 | 149.5° | 153.8° |
| C24 | C26 | C30 | H45 | 90.0° | 82.4° |
| C26 | C24 | C17 | N7 | 95.8° | 62.2° |
| H37 | C24 | C26 | H40 | 103.6° | 99.9° |
| H37 | C24 | C26 | H41 | 18.1° | 23.2° |
| H37 | C24 | C26 | C30 | 137.3° | 141.8° |
| H37 | C24 | C17 | N7 | 21.1° | 59.0° |
| H38 | C25 | H39 | C29 | 119.7° | 120.0° |
| H40 | C26 | H41 | C30 | 122.4° | 123.2° |
| H40 | C26 | C30 | H44 | 91.3° | 87.9° |
| H40 | C26 | C30 | H45 | 29.2° | 36.0° |
| H41 | C26 | C30 | H44 | 30.4° | 35.3° |
| H41 | C26 | C30 | H45 | 150.8° | 159.1° |
| C27 | C21 | C29 | C25 | 179.6° | 179.9° |
| C28 | C22 | C29 | C25 | 178.7° | 180.0° |
| C26 | C30 | H44 | H45 | 120.7° | 123.9° |
| C31 | N7 | H46 | C17 | 180.0° | 180.0° |
| N7 | C31 | C32 | C33 | 124.3° | 120.0° |
| N7 | C31 | C32 | H47 | 117.2° | 120.0° |
| N7 | C31 | C33 | H47 | 122.2° | 120.0° |
| N7 | C31 | C32 | O9 | 71.2° | 1.4° |
| N7 | C31 | C33 | C34 | 55.7° | 53.1° |
| N7 | C31 | C33 | C35 | 179.8° | 66.9° |
| N7 | C31 | C33 | H48 | 62.0° | 173.1° |
| N7 | C31 | C32 | N8 | 107.4° | 178.5° |
| H46 | N7 | C31 | C32 | 54.0° | 31.5° |
| H46 | N7 | C31 | C33 | 67.5° | 88.5° |
| H46 | N7 | C31 | H47 | 170.8° | 151.5° |
| C32 | C31 | C33 | H47 | 118.7° | 120.0° |
| C31 | C32 | O9 | N8 | 178.5° | 180.0° |
| C32 | C31 | C33 | C34 | 174.8° | 66.9° |
| C32 | C31 | C33 | C35 | 61.1° | 173.1° |
| C32 | C31 | C33 | H48 | 57.1° | 53.1° |
| C31 | C32 | N8 | C37 | 177.4° | 175.1° |
| C31 | C32 | N8 | H57 | 2.6° | 5.0° |
| C32 | C31 | N7 | C17 | 126.0° | 148.5° |
| C33 | C31 | C32 | O9 | 53.1° | 121.4° |
| C31 | C33 | C34 | C35 | 121.0° | 120.0° |
| C31 | C33 | C34 | H48 | 117.3° | 120.0° |
| C31 | C33 | C35 | H48 | 118.0° | 120.0° |
| C31 | C33 | C34 | C36 | 49.1° | 71.0° |
| C31 | C33 | C34 | H49 | 71.8° | 169.0° |
| C31 | C33 | C34 | H50 | 170.0° | 49.0° |
| C31 | C33 | C35 | H51 | 180.0° | 66.8° |
| C31 | C33 | C35 | H52 | 60.0° | 173.2° |
| C31 | C33 | C35 | H53 | 60.0° | 53.2° |
| C33 | C31 | N7 | C17 | 112.5° | 91.5° |
| C33 | C31 | C32 | N8 | 128.3° | 58.5° |
| H47 | C31 | C32 | O9 | 171.6° | 118.6° |
| H47 | C31 | C33 | C34 | 66.5° | 173.1° |
| H47 | C31 | C33 | C35 | 57.6° | 53.2° |
| H47 | C31 | C33 | H48 | 175.8° | 66.9° |
| H47 | C31 | N7 | C17 | 9.2° | 28.5° |
| H47 | C31 | C32 | N8 | 9.8° | 61.5° |
| O9 | C32 | N8 | C37 | 1.1° | 4.9° |
| O9 | C32 | N8 | H57 | 178.9° | 175.1° |
| C34 | C33 | C35 | H48 | 121.9° | 120.0° |
| C33 | C34 | C36 | H49 | 120.9° | 120.1° |
| C33 | C34 | C36 | H50 | 120.9° | 120.0° |
| C33 | C34 | H49 | H50 | 117.3° | 120.0° |
| C34 | C33 | C35 | H51 | 59.9° | 53.1° |
| C34 | C33 | C35 | H52 | 179.9° | 66.8° |
| C34 | C33 | C35 | H53 | 60.0° | 173.2° |
| C33 | C34 | C36 | H54 | 180.0° | 70.9° |
| C33 | C34 | C36 | H55 | 60.0° | 49.0° |
| C33 | C34 | C36 | H56 | 60.0° | 169.0° |
| C35 | C33 | C34 | C36 | 71.9° | 169.1° |
| C35 | C33 | C34 | H49 | 167.2° | 49.0° |
| C35 | C33 | C34 | H50 | 48.9° | 71.0° |
| C33 | C35 | H51 | H52 | 120.0° | 120.0° |
| C33 | C35 | H51 | H53 | 120.0° | 120.1° |
| C33 | C35 | H52 | H53 | 120.0° | 120.0° |
| H48 | C33 | C34 | C36 | 166.4° | 49.0° |
| H48 | C33 | C34 | H49 | 45.5° | 71.0° |
| H48 | C33 | C34 | H50 | 72.8° | 169.0° |
| H48 | C33 | C35 | H51 | 62.0° | 173.2° |
| H48 | C33 | C35 | H52 | 58.0° | 53.2° |
| H48 | C33 | C35 | H53 | 178.1° | 66.8° |
| C36 | C34 | H49 | H50 | 117.3° | 119.9° |
| C34 | C36 | H54 | H55 | 120.0° | 119.9° |
| C34 | C36 | H54 | H56 | 120.0° | 120.0° |
| C34 | C36 | H55 | H56 | 120.0° | 120.0° |
| H49 | C34 | C36 | H54 | 59.1° | 169.0° |
| H49 | C34 | C36 | H55 | 179.1° | 71.0° |
| H49 | C34 | C36 | H56 | 60.9° | 49.0° |
| H50 | C34 | C36 | H54 | 59.1° | 49.1° |
| H50 | C34 | C36 | H55 | 60.8° | 169.0° |
| H50 | C34 | C36 | H56 | 179.1° | 71.0° |
| H51 | C35 | H52 | H53 | 119.9° | 120.0° |
| H54 | C36 | H55 | H56 | 120.0° | 120.1° |
| C37 | N8 | H57 | C32 | 180.0° | 180.0° |
| N8 | C37 | C38 | C39 | 120.2° | 120.0° |
| N8 | C37 | C38 | H58 | 120.2° | 120.0° |
| N8 | C37 | C39 | H58 | 119.7° | 120.0° |
| N8 | C37 | C38 | O10 | 3.2° | 0.0° |
| N8 | C37 | C38 | O11 | 179.4° | 180.0° |
| N8 | C37 | C39 | C40 | 61.3° | 65.0° |
| N8 | C37 | C39 | C41 | 59.5° | 175.0° |
| N8 | C37 | C39 | H59 | 178.0° | 55.0° |
| H57 | N8 | C37 | C38 | 43.5° | 25.0° |
| H57 | N8 | C37 | C39 | 77.6° | 95.0° |
| H57 | N8 | C37 | H58 | 163.4° | 145.0° |
| C38 | C37 | C39 | H58 | 120.0° | 120.1° |
| C37 | C38 | O10 | O11 | 177.3° | 180.0° |
| C38 | C37 | C39 | C40 | 178.3° | 55.0° |
| C38 | C37 | C39 | C41 | 60.8° | 65.0° |
| C38 | C37 | C39 | H59 | 57.6° | 175.0° |
| C37 | C38 | O11 | C42 | 150.7° | 179.9° |
| C38 | C37 | N8 | C32 | 136.5° | 155.0° |
| C39 | C37 | C38 | O10 | 123.4° | 120.0° |
| C39 | C37 | C38 | O11 | 59.2° | 60.0° |
| C37 | C39 | C40 | C41 | 118.6° | 120.0° |
| C37 | C39 | C40 | H59 | 120.4° | 119.9° |
| C37 | C39 | C41 | H59 | 118.3° | 120.0° |
| C37 | C39 | C40 | H60 | 180.0° | 60.1° |
| C37 | C39 | C40 | H61 | 60.0° | 180.0° |
| C37 | C39 | C40 | H62 | 60.0° | 60.0° |
| C37 | C39 | C41 | H63 | 180.0° | 180.0° |
| C37 | C39 | C41 | H64 | 60.0° | 60.0° |
| C37 | C39 | C41 | H65 | 60.0° | 60.0° |
| C39 | C37 | N8 | C32 | 102.3° | 85.0° |
| H58 | C37 | C38 | O10 | 117.0° | 120.0° |
| H58 | C37 | C38 | O11 | 60.4° | 60.0° |
| H58 | C37 | C39 | C40 | 58.3° | 175.1° |
| H58 | C37 | C39 | C41 | 179.2° | 55.1° |
| H58 | C37 | C39 | H59 | 62.4° | 65.0° |
| H58 | C37 | N8 | C32 | 16.6° | 35.0° |
| O10 | C38 | O11 | C42 | 27.0° | 0.0° |
| C38 | O11 | C42 | H66 | 180.0° | 60.0° |
| C38 | O11 | C42 | H67 | 60.0° | 180.0° |
| C38 | O11 | C42 | H68 | 60.0° | 60.1° |
| C40 | C39 | C41 | H59 | 121.1° | 120.0° |
| C39 | C40 | H60 | H61 | 120.0° | 119.9° |
| C39 | C40 | H60 | H62 | 120.0° | 120.1° |
| C39 | C40 | H61 | H62 | 120.0° | 120.0° |
| C40 | C39 | C41 | H63 | 59.4° | 60.0° |
| C40 | C39 | C41 | H64 | 60.6° | 60.0° |
| C40 | C39 | C41 | H65 | 179.5° | 180.0° |
| C41 | C39 | C40 | H60 | 61.4° | 59.9° |
| C41 | C39 | C40 | H61 | 178.6° | 60.0° |
| C41 | C39 | C40 | H62 | 58.6° | 180.0° |
| C39 | C41 | H63 | H64 | 120.0° | 120.0° |
| C39 | C41 | H63 | H65 | 120.0° | 120.0° |
| C39 | C41 | H64 | H65 | 120.0° | 120.0° |
| H59 | C39 | C40 | H60 | 59.6° | 180.0° |
| H59 | C39 | C40 | H61 | 60.4° | 60.1° |
| H59 | C39 | C40 | H62 | 179.6° | 59.9° |
| H59 | C39 | C41 | H63 | 61.7° | 60.0° |
| H59 | C39 | C41 | H64 | 178.3° | 180.0° |
| H59 | C39 | C41 | H65 | 58.4° | 60.0° |
| H60 | C40 | H61 | H62 | 120.0° | 120.0° |
| H63 | C41 | H64 | H65 | 120.0° | 120.0° |
| O11 | C42 | H66 | H67 | 120.0° | 120.0° |
| O11 | C42 | H66 | H68 | 120.0° | 120.0° |
| O11 | C42 | H67 | H68 | 120.0° | 119.9° |
| H66 | C42 | H67 | H68 | 120.0° | 120.0° |
