PRD_000104
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | N2 | sing | 1.46Å | 1.47Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.37Å | 1.34Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | N3 | sing | 1.33Å | 1.34Å | |
| C6 | N4 | doub | 1.33Å | 1.34Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | C7 | sing | 1.48Å | 1.47Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | N6 | sing | 1.47Å | 1.47Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| N6 | C12 | sing | 1.37Å | 1.35Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| C12 | N7 | sing | 1.33Å | 1.34Å | |
| C12 | N8 | doub | 1.33Å | 1.34Å | |
| N7 | H23 | sing | 0.97Å | 1.00Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å | |
| N8 | H25 | sing | 0.97Å | 1.00Å | |
| N8 | H26 | sing | 0.97Å | 1.00Å | |
| N9 | C13 | sing | 1.48Å | 1.45Å | |
| N9 | H27 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | H32 | sing | 1.08Å | 1.08Å | |
| C19 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | H33 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | H34 | sing | 1.08Å | 1.08Å | |
| C21 | O4 | sing | 1.36Å | 1.36Å | |
| O4 | H35 | sing | 0.97Å | 0.95Å | |
| N10 | C22 | sing | 1.48Å | 1.47Å | |
| N10 | H36 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.55Å | |
| C22 | C24 | sing | 1.53Å | 1.55Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | H40 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | H41 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
| C28 | H42 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | H43 | sing | 1.08Å | 1.08Å | |
| C30 | O6 | sing | 1.36Å | 1.36Å | |
| O6 | H44 | sing | 0.97Å | 0.95Å | |
| N11 | C31 | sing | 1.48Å | 1.47Å | |
| N11 | H45 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | O7 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | N12 | sing | 1.46Å | 1.47Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| N12 | C36 | sing | 1.37Å | 1.35Å | |
| N12 | H53 | sing | 0.97Å | 1.00Å | |
| C36 | N13 | sing | 1.33Å | 1.34Å | |
| C36 | N14 | doub | 1.33Å | 1.34Å | |
| N13 | H54 | sing | 0.97Å | 1.00Å | |
| N13 | H55 | sing | 0.97Å | 1.00Å | |
| N14 | H56 | sing | 0.97Å | 1.00Å | |
| N14 | H57 | sing | 0.97Å | 1.00Å | |
| N15 | C37 | sing | 1.48Å | 1.45Å | |
| N15 | H58 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.54Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | O8 | doub | 1.21Å | 1.23Å | |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C42 | sing | 1.38Å | 1.41Å | Aromatic |
| C41 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | H62 | sing | 1.08Å | 1.08Å | |
| C42 | C44 | doub | 1.38Å | 1.41Å | Aromatic |
| C42 | H63 | sing | 1.08Å | 1.08Å | |
| C43 | C45 | doub | 1.38Å | 1.41Å | Aromatic |
| C43 | H64 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | H65 | sing | 1.08Å | 1.08Å | |
| C45 | H66 | sing | 1.08Å | 1.08Å | |
| N1 | C38 | sing | 1.37Å | 1.34Å | |
| C2 | N5 | sing | 1.36Å | 1.34Å | |
| C8 | N9 | sing | 1.37Å | 1.34Å | |
| C14 | N10 | sing | 1.36Å | 1.34Å | |
| C23 | N11 | sing | 1.37Å | 1.34Å | |
| C32 | N15 | sing | 1.36Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 116.4° | 122.6° |
| N1 | C1 | C2 | 112.9° | 108.5° |
| N1 | C1 | C3 | 108.7° | 109.6° |
| N1 | C1 | H2 | 108.7° | 109.7° |
| C1 | N1 | C38 | 127.2° | 114.8° |
| H1 | N1 | C38 | 116.4° | 122.5° |
| C2 | C1 | C3 | 110.9° | 109.6° |
| C2 | C1 | H2 | 107.7° | 109.6° |
| C1 | C2 | O1 | 119.3° | 120.5° |
| C1 | C2 | N5 | 117.4° | 119.0° |
| C3 | C1 | H2 | 107.7° | 109.8° |
| C1 | C3 | C4 | 112.9° | 109.4° |
| C1 | C3 | H3 | 108.6° | 109.5° |
| C1 | C3 | H4 | 108.6° | 109.5° |
| O1 | C2 | N5 | 123.3° | 120.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C4 | C3 | H4 | 108.6° | 109.5° |
| C3 | C4 | C5 | 112.1° | 109.5° |
| C3 | C4 | H5 | 108.8° | 109.5° |
| C3 | C4 | H6 | 108.8° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | H5 | 108.8° | 109.5° |
| C5 | C4 | H6 | 108.8° | 109.5° |
| C4 | C5 | N2 | 112.7° | 109.5° |
| C4 | C5 | H7 | 108.6° | 109.4° |
| C4 | C5 | H8 | 108.7° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| N2 | C5 | H7 | 108.7° | 109.5° |
| N2 | C5 | H8 | 108.7° | 109.5° |
| C5 | N2 | C6 | 126.1° | 120.0° |
| C5 | N2 | H9 | 116.9° | 120.0° |
| H7 | C5 | H8 | 109.4° | 109.5° |
| C6 | N2 | H9 | 117.0° | 120.0° |
| N2 | C6 | N3 | 121.9° | 120.0° |
| N2 | C6 | N4 | 119.1° | 120.0° |
| N3 | C6 | N4 | 119.1° | 120.0° |
| C6 | N3 | H10 | 120.0° | 120.1° |
| C6 | N3 | H11 | 120.0° | 120.0° |
| C6 | N4 | H12 | 120.0° | 120.1° |
| C6 | N4 | H13 | 120.0° | 120.0° |
| H10 | N3 | H11 | 120.0° | 119.9° |
| H12 | N4 | H13 | 120.0° | 120.0° |
| C7 | N5 | H14 | 117.4° | 121.9° |
| N5 | C7 | C8 | 111.7° | 108.8° |
| N5 | C7 | C9 | 108.7° | 109.6° |
| N5 | C7 | H15 | 109.4° | 109.6° |
| C7 | N5 | C2 | 125.1° | 116.3° |
| H14 | N5 | C2 | 117.4° | 121.9° |
| C8 | C7 | C9 | 110.1° | 109.6° |
| C8 | C7 | H15 | 108.4° | 109.6° |
| C7 | C8 | O2 | 121.3° | 120.7° |
| C7 | C8 | N9 | 115.8° | 118.6° |
| C9 | C7 | H15 | 108.5° | 109.6° |
| C7 | C9 | C10 | 114.6° | 109.5° |
| C7 | C9 | H16 | 108.2° | 109.4° |
| C7 | C9 | H17 | 108.2° | 109.5° |
| O2 | C8 | N9 | 122.9° | 120.7° |
| C10 | C9 | H16 | 108.2° | 109.5° |
| C10 | C9 | H17 | 108.2° | 109.5° |
| C9 | C10 | C11 | 112.2° | 109.5° |
| C9 | C10 | H18 | 108.8° | 109.5° |
| C9 | C10 | H19 | 108.8° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| C11 | C10 | H18 | 108.8° | 109.4° |
| C11 | C10 | H19 | 108.8° | 109.4° |
| C10 | C11 | N6 | 113.0° | 109.5° |
| C10 | C11 | H20 | 108.6° | 109.5° |
| C10 | C11 | H21 | 108.6° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.4° |
| N6 | C11 | H20 | 108.6° | 109.5° |
| N6 | C11 | H21 | 108.6° | 109.4° |
| C11 | N6 | C12 | 126.5° | 120.0° |
| C11 | N6 | H22 | 116.8° | 120.0° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| C12 | N6 | H22 | 116.7° | 120.0° |
| N6 | C12 | N7 | 121.9° | 120.0° |
| N6 | C12 | N8 | 119.0° | 120.0° |
| N7 | C12 | N8 | 119.1° | 120.0° |
| C12 | N7 | H23 | 120.0° | 120.0° |
| C12 | N7 | H24 | 120.0° | 120.0° |
| C12 | N8 | H25 | 120.0° | 120.0° |
| C12 | N8 | H26 | 120.0° | 119.9° |
| H23 | N7 | H24 | 120.0° | 120.0° |
| H25 | N8 | H26 | 120.0° | 120.0° |
| C13 | N9 | H27 | 115.6° | 122.6° |
| N9 | C13 | C14 | 108.5° | 108.5° |
| N9 | C13 | C15 | 109.3° | 109.7° |
| N9 | C13 | H28 | 110.5° | 109.6° |
| C13 | N9 | C8 | 128.8° | 114.8° |
| H27 | N9 | C8 | 115.6° | 122.6° |
| C14 | C13 | C15 | 110.0° | 109.7° |
| C14 | C13 | H28 | 109.3° | 109.6° |
| C13 | C14 | O3 | 120.5° | 120.5° |
| C13 | C14 | N10 | 114.9° | 119.1° |
| C15 | C13 | H28 | 109.2° | 109.8° |
| C13 | C15 | C16 | 114.5° | 109.5° |
| C13 | C15 | H29 | 108.2° | 109.4° |
| C13 | C15 | H30 | 108.2° | 109.5° |
| O3 | C14 | N10 | 124.6° | 120.5° |
| C16 | C15 | H29 | 108.2° | 109.5° |
| C16 | C15 | H30 | 108.2° | 109.5° |
| C15 | C16 | C17 | 119.7° | 119.9° |
| C15 | C16 | C18 | 120.3° | 119.9° |
| H29 | C15 | H30 | 109.5° | 109.4° |
| C17 | C16 | C18 | 119.9° | 120.2° |
| C16 | C17 | C19 | 120.2° | 120.0° |
| C16 | C17 | H31 | 119.9° | 120.0° |
| C16 | C18 | C20 | 120.3° | 120.0° |
| C16 | C18 | H32 | 119.8° | 120.0° |
| C19 | C17 | H31 | 119.9° | 119.9° |
| C17 | C19 | C21 | 120.0° | 119.9° |
| C17 | C19 | H33 | 120.0° | 120.0° |
| C20 | C18 | H32 | 119.9° | 120.0° |
| C18 | C20 | C21 | 119.9° | 120.0° |
| C18 | C20 | H34 | 120.1° | 120.0° |
| C21 | C19 | H33 | 120.0° | 120.0° |
| C19 | C21 | C20 | 119.7° | 119.9° |
| C19 | C21 | O4 | 120.2° | 120.1° |
| C21 | C20 | H34 | 120.1° | 120.1° |
| C20 | C21 | O4 | 120.1° | 120.0° |
| C21 | O4 | H35 | 109.5° | 114.0° |
| C22 | N10 | H36 | 115.3° | 121.9° |
| N10 | C22 | C23 | 115.4° | 108.8° |
| N10 | C22 | C24 | 109.7° | 109.6° |
| N10 | C22 | H37 | 106.8° | 109.6° |
| C22 | N10 | C14 | 129.3° | 116.3° |
| H36 | N10 | C14 | 115.4° | 121.8° |
| C23 | C22 | C24 | 112.4° | 109.6° |
| C23 | C22 | H37 | 105.9° | 109.6° |
| C22 | C23 | O5 | 119.5° | 120.7° |
| C22 | C23 | N11 | 117.4° | 118.6° |
| C24 | C22 | H37 | 105.9° | 109.7° |
| C22 | C24 | C25 | 113.8° | 109.5° |
| C22 | C24 | H38 | 108.4° | 109.5° |
| C22 | C24 | H39 | 108.4° | 109.5° |
| O5 | C23 | N11 | 123.1° | 120.7° |
| C25 | C24 | H38 | 108.4° | 109.5° |
| C25 | C24 | H39 | 108.4° | 109.5° |
| C24 | C25 | C26 | 120.2° | 120.0° |
| C24 | C25 | C27 | 120.1° | 119.9° |
| H38 | C24 | H39 | 109.4° | 109.4° |
| C26 | C25 | C27 | 119.6° | 120.1° |
| C25 | C26 | C28 | 120.3° | 120.1° |
| C25 | C26 | H40 | 119.9° | 119.9° |
| C25 | C27 | C29 | 120.5° | 120.1° |
| C25 | C27 | H41 | 119.7° | 120.0° |
| C28 | C26 | H40 | 119.8° | 120.0° |
| C26 | C28 | C30 | 120.0° | 119.9° |
| C26 | C28 | H42 | 120.0° | 120.1° |
| C29 | C27 | H41 | 119.8° | 120.0° |
| C27 | C29 | C30 | 119.9° | 119.9° |
| C27 | C29 | H43 | 120.0° | 120.1° |
| C30 | C28 | H42 | 120.0° | 120.0° |
| C28 | C30 | C29 | 119.7° | 119.9° |
| C28 | C30 | O6 | 120.2° | 120.0° |
| C30 | C29 | H43 | 120.0° | 120.0° |
| C29 | C30 | O6 | 120.1° | 120.0° |
| C30 | O6 | H44 | 109.5° | 114.0° |
| C31 | N11 | H45 | 116.7° | 122.6° |
| N11 | C31 | C32 | 110.4° | 108.5° |
| N11 | C31 | C33 | 110.3° | 109.6° |
| N11 | C31 | H46 | 108.7° | 109.6° |
| C31 | N11 | C23 | 126.7° | 114.8° |
| H45 | N11 | C23 | 116.6° | 122.6° |
| C32 | C31 | C33 | 111.7° | 109.7° |
| C32 | C31 | H46 | 107.7° | 109.6° |
| C31 | C32 | O7 | 121.7° | 120.5° |
| C31 | C32 | N15 | 115.8° | 119.0° |
| C33 | C31 | H46 | 107.8° | 109.8° |
| C31 | C33 | C34 | 113.6° | 109.5° |
| C31 | C33 | H47 | 108.4° | 109.5° |
| C31 | C33 | H48 | 108.4° | 109.4° |
| O7 | C32 | N15 | 122.4° | 120.5° |
| C34 | C33 | H47 | 108.5° | 109.5° |
| C34 | C33 | H48 | 108.4° | 109.5° |
| C33 | C34 | C35 | 109.8° | 109.5° |
| C33 | C34 | H49 | 109.4° | 109.5° |
| C33 | C34 | H50 | 109.4° | 109.5° |
| H47 | C33 | H48 | 109.5° | 109.5° |
| C35 | C34 | H49 | 109.4° | 109.5° |
| C35 | C34 | H50 | 109.4° | 109.5° |
| C34 | C35 | N12 | 111.8° | 109.5° |
| C34 | C35 | H51 | 108.9° | 109.5° |
| C34 | C35 | H52 | 108.9° | 109.5° |
| H49 | C34 | H50 | 109.5° | 109.5° |
| N12 | C35 | H51 | 108.9° | 109.5° |
| N12 | C35 | H52 | 108.9° | 109.5° |
| C35 | N12 | C36 | 125.5° | 120.0° |
| C35 | N12 | H53 | 117.3° | 120.0° |
| H51 | C35 | H52 | 109.5° | 109.5° |
| C36 | N12 | H53 | 117.3° | 120.0° |
| N12 | C36 | N13 | 121.9° | 119.9° |
| N12 | C36 | N14 | 119.3° | 120.0° |
| N13 | C36 | N14 | 118.8° | 120.0° |
| C36 | N13 | H54 | 120.0° | 120.0° |
| C36 | N13 | H55 | 120.0° | 120.0° |
| C36 | N14 | H56 | 120.0° | 120.1° |
| C36 | N14 | H57 | 120.0° | 120.0° |
| H54 | N13 | H55 | 120.0° | 120.0° |
| H56 | N14 | H57 | 120.0° | 120.0° |
| C37 | N15 | H58 | 116.4° | 121.9° |
| N15 | C37 | C38 | 108.5° | 108.8° |
| N15 | C37 | C39 | 108.7° | 109.6° |
| N15 | C37 | H59 | 109.3° | 109.6° |
| C37 | N15 | C32 | 127.2° | 116.3° |
| H58 | N15 | C32 | 116.4° | 121.9° |
| C38 | C37 | C39 | 113.9° | 109.4° |
| C38 | C37 | H59 | 108.2° | 109.7° |
| C37 | C38 | O8 | 120.2° | 120.7° |
| C37 | C38 | N1 | 116.6° | 118.6° |
| C39 | C37 | H59 | 108.2° | 109.7° |
| C37 | C39 | C40 | 114.5° | 109.5° |
| C37 | C39 | H60 | 108.2° | 109.5° |
| C37 | C39 | H61 | 108.2° | 109.4° |
| O8 | C38 | N1 | 123.1° | 120.6° |
| C40 | C39 | H60 | 108.2° | 109.5° |
| C40 | C39 | H61 | 108.2° | 109.5° |
| C39 | C40 | C41 | 119.8° | 120.0° |
| C39 | C40 | C42 | 120.5° | 120.0° |
| H60 | C39 | H61 | 109.4° | 109.4° |
| C41 | C40 | C42 | 119.6° | 120.0° |
| C40 | C41 | C43 | 120.2° | 120.0° |
| C40 | C41 | H62 | 119.9° | 120.0° |
| C40 | C42 | C44 | 120.1° | 120.0° |
| C40 | C42 | H63 | 120.0° | 120.0° |
| C43 | C41 | H62 | 119.9° | 120.0° |
| C41 | C43 | C45 | 120.0° | 120.0° |
| C41 | C43 | H64 | 120.0° | 120.0° |
| C44 | C42 | H63 | 120.0° | 120.0° |
| C42 | C44 | C45 | 120.1° | 120.0° |
| C42 | C44 | H65 | 119.9° | 120.0° |
| C45 | C43 | H64 | 120.0° | 120.0° |
| C43 | C45 | C44 | 120.0° | 120.0° |
| C43 | C45 | H66 | 120.0° | 120.0° |
| C45 | C44 | H65 | 119.9° | 120.0° |
| C44 | C45 | H66 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C38 | 180.0° | 179.6° |
| N1 | C1 | C2 | C3 | 122.3° | 119.7° |
| N1 | C1 | C2 | H2 | 120.1° | 119.7° |
| N1 | C1 | C3 | H2 | 117.6° | 120.6° |
| N1 | C1 | C2 | O1 | 109.5° | 23.7° |
| N1 | C1 | C3 | C4 | 68.4° | 52.2° |
| N1 | C1 | C3 | H3 | 52.1° | 67.8° |
| N1 | C1 | C3 | H4 | 171.1° | 172.2° |
| C1 | N1 | C38 | C37 | 169.7° | 179.6° |
| C1 | N1 | C38 | O8 | 7.4° | 0.0° |
| N1 | C1 | C2 | N5 | 70.0° | 156.3° |
| H1 | N1 | C1 | C2 | 125.9° | 90.1° |
| H1 | N1 | C1 | C3 | 2.4° | 150.3° |
| H1 | N1 | C1 | H2 | 114.6° | 29.6° |
| H1 | N1 | C38 | C37 | 10.3° | 0.7° |
| H1 | N1 | C38 | O8 | 172.7° | 179.6° |
| C2 | C1 | C3 | H2 | 117.7° | 120.5° |
| C1 | C2 | O1 | N5 | 179.4° | 180.0° |
| C2 | C1 | C3 | C4 | 166.9° | 171.1° |
| C2 | C1 | C3 | H3 | 72.6° | 51.1° |
| C2 | C1 | C3 | H4 | 46.4° | 68.9° |
| C1 | C2 | N5 | C7 | 175.3° | 179.9° |
| C1 | C2 | N5 | H14 | 4.8° | 0.3° |
| C2 | C1 | N1 | C38 | 54.2° | 90.3° |
| C3 | C1 | C2 | O1 | 128.3° | 143.4° |
| C1 | C3 | C4 | H3 | 120.5° | 120.0° |
| C1 | C3 | C4 | H4 | 120.5° | 120.0° |
| C1 | C3 | H3 | H4 | 118.4° | 120.0° |
| C1 | C3 | C4 | C5 | 170.7° | 180.0° |
| C1 | C3 | C4 | H5 | 69.0° | 60.0° |
| C1 | C3 | C4 | H6 | 50.3° | 60.0° |
| C3 | C1 | N1 | C38 | 177.7° | 29.4° |
| C3 | C1 | C2 | N5 | 52.3° | 36.6° |
| H2 | C1 | C2 | O1 | 10.6° | 96.0° |
| H2 | C1 | C3 | C4 | 49.2° | 68.4° |
| H2 | C1 | C3 | H3 | 169.7° | 171.6° |
| H2 | C1 | C3 | H4 | 71.3° | 51.6° |
| H2 | C1 | N1 | C38 | 65.3° | 150.0° |
| H2 | C1 | C2 | N5 | 170.0° | 84.0° |
| O1 | C2 | N5 | C7 | 5.3° | 0.1° |
| O1 | C2 | N5 | H14 | 174.7° | 179.7° |
| C4 | C3 | H3 | H4 | 118.4° | 120.0° |
| C3 | C4 | C5 | H5 | 120.4° | 120.0° |
| C3 | C4 | C5 | H6 | 120.4° | 120.0° |
| C3 | C4 | H5 | H6 | 118.8° | 120.0° |
| C3 | C4 | C5 | N2 | 62.2° | 180.0° |
| C3 | C4 | C5 | H7 | 177.4° | 60.0° |
| C3 | C4 | C5 | H8 | 58.4° | 60.0° |
| H3 | C3 | C4 | C5 | 50.2° | 60.0° |
| H3 | C3 | C4 | H5 | 170.6° | 180.0° |
| H3 | C3 | C4 | H6 | 70.2° | 60.0° |
| H4 | C3 | C4 | C5 | 68.8° | 60.0° |
| H4 | C3 | C4 | H5 | 51.6° | 60.1° |
| H4 | C3 | C4 | H6 | 170.8° | NaN° |
| C5 | C4 | H5 | H6 | 118.8° | 120.0° |
| C4 | C5 | N2 | H7 | 120.5° | 120.0° |
| C4 | C5 | N2 | H8 | 120.5° | 120.0° |
| C4 | C5 | H7 | H8 | 118.5° | 120.0° |
| C4 | C5 | N2 | C6 | 88.2° | 180.0° |
| C4 | C5 | N2 | H9 | 91.8° | 0.0° |
| H5 | C4 | C5 | N2 | 58.2° | 60.0° |
| H5 | C4 | C5 | H7 | 62.3° | 180.0° |
| H5 | C4 | C5 | H8 | 178.7° | 60.0° |
| H6 | C4 | C5 | N2 | 177.5° | 60.0° |
| H6 | C4 | C5 | H7 | 57.0° | 60.0° |
| H6 | C4 | C5 | H8 | 62.0° | 180.0° |
| N2 | C5 | H7 | H8 | 118.5° | 120.0° |
| C5 | N2 | C6 | H9 | 180.0° | 180.0° |
| C5 | N2 | C6 | N3 | 1.0° | 0.0° |
| C5 | N2 | C6 | N4 | 178.9° | 180.0° |
| H7 | C5 | N2 | C6 | 32.3° | 60.0° |
| H7 | C5 | N2 | H9 | 147.7° | 120.0° |
| H8 | C5 | N2 | C6 | 151.3° | 60.0° |
| H8 | C5 | N2 | H9 | 28.7° | 120.0° |
| N2 | C6 | N3 | N4 | 180.0° | 180.0° |
| N2 | C6 | N3 | H10 | 180.0° | 0.0° |
| N2 | C6 | N3 | H11 | 0.1° | 180.0° |
| N2 | C6 | N4 | H12 | 180.0° | 0.1° |
| N2 | C6 | N4 | H13 | 0.0° | 180.0° |
| H9 | N2 | C6 | N3 | 179.0° | 180.0° |
| H9 | N2 | C6 | N4 | 1.0° | 0.0° |
| C6 | N3 | H10 | H11 | 179.9° | 180.0° |
| N3 | C6 | N4 | H12 | 0.0° | 180.0° |
| N3 | C6 | N4 | H13 | 180.0° | 0.1° |
| N4 | C6 | N3 | H10 | 0.0° | 180.0° |
| N4 | C6 | N3 | H11 | 180.0° | 0.0° |
| C6 | N4 | H12 | H13 | 180.0° | 179.9° |
| C7 | N5 | H14 | C2 | 180.0° | 179.9° |
| N5 | C7 | C8 | C9 | 120.9° | 119.8° |
| N5 | C7 | C8 | H15 | 120.5° | 119.9° |
| N5 | C7 | C9 | H15 | 118.9° | 120.4° |
| N5 | C7 | C8 | O2 | 150.4° | 22.6° |
| N5 | C7 | C9 | C10 | 58.0° | 65.0° |
| N5 | C7 | C9 | H16 | 62.7° | 55.0° |
| N5 | C7 | C9 | H17 | 178.8° | 175.0° |
| N5 | C7 | C8 | N9 | 27.2° | 157.3° |
| H14 | N5 | C7 | C8 | 45.7° | 89.4° |
| H14 | N5 | C7 | C9 | 76.0° | 30.4° |
| H14 | N5 | C7 | H15 | 165.7° | 150.8° |
| C8 | C7 | C9 | H15 | 118.5° | 120.3° |
| C7 | C8 | O2 | N9 | 177.4° | 179.9° |
| C8 | C7 | C9 | C10 | 179.3° | 175.7° |
| C8 | C7 | C9 | H16 | 59.9° | 64.3° |
| C8 | C7 | C9 | H17 | 58.6° | 55.7° |
| C7 | C8 | N9 | C13 | 168.5° | 179.8° |
| C7 | C8 | N9 | H27 | 11.5° | 0.3° |
| C8 | C7 | N5 | C2 | 134.2° | 90.7° |
| C9 | C7 | C8 | O2 | 29.5° | 97.2° |
| C7 | C9 | C10 | H16 | 120.8° | 119.9° |
| C7 | C9 | C10 | H17 | 120.7° | 120.0° |
| C7 | C9 | H16 | H17 | 117.7° | 120.0° |
| C7 | C9 | C10 | C11 | 177.1° | 180.0° |
| C7 | C9 | C10 | H18 | 56.7° | 60.0° |
| C7 | C9 | C10 | H19 | 62.5° | 60.0° |
| C9 | C7 | N5 | C2 | 104.1° | 149.5° |
| C9 | C7 | C8 | N9 | 148.1° | 82.9° |
| H15 | C7 | C8 | O2 | 89.0° | 142.5° |
| H15 | C7 | C9 | C10 | 60.9° | 55.4° |
| H15 | C7 | C9 | H16 | 178.4° | 175.4° |
| H15 | C7 | C9 | H17 | 59.9° | 64.6° |
| H15 | C7 | N5 | C2 | 14.3° | 29.1° |
| H15 | C7 | C8 | N9 | 93.3° | 37.4° |
| O2 | C8 | N9 | C13 | 9.1° | 0.1° |
| O2 | C8 | N9 | H27 | 170.9° | 179.8° |
| C10 | C9 | H16 | H17 | 117.7° | 120.0° |
| C9 | C10 | C11 | H18 | 120.4° | 120.0° |
| C9 | C10 | C11 | H19 | 120.4° | 120.0° |
| C9 | C10 | H18 | H19 | 118.8° | 120.1° |
| C9 | C10 | C11 | N6 | 55.5° | 180.0° |
| C9 | C10 | C11 | H20 | 65.1° | 60.0° |
| C9 | C10 | C11 | H21 | 176.0° | 60.0° |
| H16 | C9 | C10 | C11 | 62.2° | 60.0° |
| H16 | C9 | C10 | H18 | 177.4° | 180.0° |
| H16 | C9 | C10 | H19 | 58.2° | 60.0° |
| H17 | C9 | C10 | C11 | 56.3° | 60.0° |
| H17 | C9 | C10 | H18 | 64.1° | 60.0° |
| H17 | C9 | C10 | H19 | 176.7° | 180.0° |
| C11 | C10 | H18 | H19 | 118.7° | 119.9° |
| C10 | C11 | N6 | H20 | 120.5° | 120.0° |
| C10 | C11 | N6 | H21 | 120.5° | 120.0° |
| C10 | C11 | H20 | H21 | 118.4° | 120.0° |
| C10 | C11 | N6 | C12 | 72.3° | 180.0° |
| C10 | C11 | N6 | H22 | 107.7° | 0.0° |
| H18 | C10 | C11 | N6 | 175.9° | 59.9° |
| H18 | C10 | C11 | H20 | 55.4° | 179.9° |
| H18 | C10 | C11 | H21 | 63.6° | 60.1° |
| H19 | C10 | C11 | N6 | 64.9° | 60.0° |
| H19 | C10 | C11 | H20 | 174.5° | 60.0° |
| H19 | C10 | C11 | H21 | 55.6° | 180.0° |
| N6 | C11 | H20 | H21 | 118.4° | 120.0° |
| C11 | N6 | C12 | H22 | 180.0° | 180.0° |
| C11 | N6 | C12 | N7 | 1.8° | 0.1° |
| C11 | N6 | C12 | N8 | 178.1° | 180.0° |
| H20 | C11 | N6 | C12 | 167.2° | 59.9° |
| H20 | C11 | N6 | H22 | 12.8° | 120.0° |
| H21 | C11 | N6 | C12 | 48.2° | 60.0° |
| H21 | C11 | N6 | H22 | 131.8° | 120.0° |
| N6 | C12 | N7 | N8 | 179.9° | 179.9° |
| N6 | C12 | N7 | H23 | 179.8° | 0.1° |
| N6 | C12 | N7 | H24 | 0.2° | 180.0° |
| N6 | C12 | N8 | H25 | 179.9° | 180.0° |
| N6 | C12 | N8 | H26 | 0.2° | 0.1° |
| H22 | N6 | C12 | N7 | 178.2° | 180.0° |
| H22 | N6 | C12 | N8 | 1.9° | 0.1° |
| C12 | N7 | H23 | H24 | 180.0° | 179.9° |
| N7 | C12 | N8 | H25 | 0.0° | 0.1° |
| N7 | C12 | N8 | H26 | 180.0° | 180.0° |
| N8 | C12 | N7 | H23 | 0.0° | 180.0° |
| N8 | C12 | N7 | H24 | 180.0° | 0.1° |
| C12 | N8 | H25 | H26 | 180.0° | 179.9° |
| C13 | N9 | H27 | C8 | 180.0° | 179.9° |
| N9 | C13 | C14 | C15 | 119.5° | 119.7° |
| N9 | C13 | C14 | H28 | 120.6° | 119.6° |
| N9 | C13 | C15 | H28 | 121.0° | 120.5° |
| N9 | C13 | C14 | O3 | 2.8° | 24.9° |
| N9 | C13 | C15 | C16 | 59.9° | 60.0° |
| N9 | C13 | C15 | H29 | 60.9° | 60.0° |
| N9 | C13 | C15 | H30 | 179.4° | 180.0° |
| N9 | C13 | C14 | N10 | 177.5° | 155.0° |
| H27 | N9 | C13 | C14 | 22.4° | 90.4° |
| H27 | N9 | C13 | C15 | 97.5° | 149.9° |
| H27 | N9 | C13 | H28 | 142.2° | 29.2° |
| C14 | C13 | C15 | H28 | 120.0° | 120.5° |
| C13 | C14 | O3 | N10 | 179.6° | 179.9° |
| C14 | C13 | C15 | C16 | 178.8° | 179.0° |
| C14 | C13 | C15 | H29 | 58.1° | 59.0° |
| C14 | C13 | C15 | H30 | 60.4° | 60.9° |
| C13 | C14 | N10 | C22 | 174.3° | 179.8° |
| C13 | C14 | N10 | H36 | 5.7° | 0.2° |
| C14 | C13 | N9 | C8 | 157.6° | 89.7° |
| C15 | C13 | C14 | O3 | 116.6° | 144.6° |
| C13 | C15 | C16 | H29 | 120.7° | 120.0° |
| C13 | C15 | C16 | H30 | 120.7° | 120.0° |
| C13 | C15 | H29 | H30 | 117.7° | 120.0° |
| C13 | C15 | C16 | C17 | 75.5° | 90.0° |
| C13 | C15 | C16 | C18 | 101.9° | 90.3° |
| C15 | C13 | N9 | C8 | 82.5° | 30.0° |
| C15 | C13 | C14 | N10 | 63.0° | 35.3° |
| H28 | C13 | C14 | O3 | 123.4° | 94.7° |
| H28 | C13 | C15 | C16 | 61.1° | 60.5° |
| H28 | C13 | C15 | H29 | 178.1° | 179.5° |
| H28 | C13 | C15 | H30 | 59.6° | 59.5° |
| H28 | C13 | N9 | C8 | 37.8° | 150.7° |
| H28 | C13 | C14 | N10 | 56.9° | 85.3° |
| O3 | C14 | N10 | C22 | 6.0° | 0.1° |
| O3 | C14 | N10 | H36 | 174.0° | 179.8° |
| C16 | C15 | H29 | H30 | 117.7° | 120.0° |
| C15 | C16 | C17 | C18 | 177.4° | 179.7° |
| C15 | C16 | C17 | C19 | 176.8° | 180.0° |
| C15 | C16 | C17 | H31 | 3.2° | 0.0° |
| C15 | C16 | C18 | C20 | 176.7° | 180.0° |
| C15 | C16 | C18 | H32 | 3.3° | 0.1° |
| H29 | C15 | C16 | C17 | 163.8° | 30.0° |
| H29 | C15 | C16 | C18 | 18.9° | 149.7° |
| H30 | C15 | C16 | C17 | 45.3° | 150.0° |
| H30 | C15 | C16 | C18 | 137.4° | 29.7° |
| C16 | C17 | C19 | H31 | 180.0° | 180.0° |
| C17 | C16 | C18 | C20 | 0.6° | 0.3° |
| C17 | C16 | C18 | H32 | 179.4° | 179.8° |
| C16 | C17 | C19 | C21 | 0.1° | 0.0° |
| C16 | C17 | C19 | H33 | 179.9° | 180.0° |
| C18 | C16 | C17 | C19 | 0.6° | 0.3° |
| C18 | C16 | C17 | H31 | 179.4° | 179.7° |
| C16 | C18 | C20 | H32 | 180.0° | 179.9° |
| C16 | C18 | C20 | C21 | 0.1° | 0.0° |
| C16 | C18 | C20 | H34 | 179.9° | 180.0° |
| C17 | C19 | C21 | H33 | 180.0° | 180.0° |
| C17 | C19 | C21 | C20 | 0.4° | 0.3° |
| C17 | C19 | C21 | O4 | 179.4° | 180.0° |
| H31 | C17 | C19 | C21 | 179.9° | 180.0° |
| H31 | C17 | C19 | H33 | 0.1° | 0.0° |
| C18 | C20 | C21 | C19 | 0.4° | 0.3° |
| C18 | C20 | C21 | H34 | 180.0° | 180.0° |
| C18 | C20 | C21 | O4 | 179.5° | 180.0° |
| H32 | C18 | C20 | C21 | 179.9° | 179.9° |
| H32 | C18 | C20 | H34 | 0.1° | 0.1° |
| C19 | C21 | C20 | O4 | 179.9° | 179.8° |
| C19 | C21 | C20 | H34 | 179.6° | 179.7° |
| C19 | C21 | O4 | H35 | 180.0° | 90.0° |
| H33 | C19 | C21 | C20 | 179.6° | 179.7° |
| H33 | C19 | C21 | O4 | 0.5° | 0.0° |
| C20 | C21 | O4 | H35 | 0.1° | 89.7° |
| H34 | C20 | C21 | O4 | 0.6° | 0.0° |
| C22 | N10 | H36 | C14 | 180.0° | 180.0° |
| N10 | C22 | C23 | C24 | 126.9° | 119.8° |
| N10 | C22 | C23 | H37 | 117.9° | 119.8° |
| N10 | C22 | C24 | H37 | 114.9° | 120.3° |
| N10 | C22 | C23 | O5 | 87.5° | 22.5° |
| N10 | C22 | C24 | C25 | 178.8° | 65.0° |
| N10 | C22 | C24 | H38 | 58.1° | 55.0° |
| N10 | C22 | C24 | H39 | 60.6° | 175.0° |
| N10 | C22 | C23 | N11 | 91.0° | 157.5° |
| H36 | N10 | C22 | C23 | 176.8° | 88.0° |
| H36 | N10 | C22 | C24 | 55.0° | 31.8° |
| H36 | N10 | C22 | H37 | 59.4° | 152.2° |
| C23 | C22 | C24 | H37 | 115.2° | 120.4° |
| C22 | C23 | O5 | N11 | 178.4° | 180.0° |
| C23 | C22 | C24 | C25 | 51.4° | 175.7° |
| C23 | C22 | C24 | H38 | 172.0° | 64.3° |
| C23 | C22 | C24 | H39 | 69.2° | 55.7° |
| C22 | C23 | N11 | C31 | 177.4° | 179.8° |
| C22 | C23 | N11 | H45 | 2.6° | 0.1° |
| C23 | C22 | N10 | C14 | 3.1° | 92.0° |
| C24 | C22 | C23 | O5 | 145.7° | 97.3° |
| C22 | C24 | C25 | H38 | 120.7° | 120.0° |
| C22 | C24 | C25 | H39 | 120.6° | 120.0° |
| C22 | C24 | H38 | H39 | 118.0° | 120.0° |
| C22 | C24 | C25 | C26 | 60.0° | 90.0° |
| C22 | C24 | C25 | C27 | 117.1° | 90.3° |
| C24 | C22 | N10 | C14 | 125.0° | 148.2° |
| C24 | C22 | C23 | N11 | 35.8° | 82.8° |
| H37 | C22 | C23 | O5 | 30.5° | 142.3° |
| H37 | C22 | C24 | C25 | 63.8° | 55.4° |
| H37 | C22 | C24 | H38 | 56.8° | 175.4° |
| H37 | C22 | C24 | H39 | 175.5° | 64.7° |
| H37 | C22 | N10 | C14 | 120.6° | 27.8° |
| H37 | C22 | C23 | N11 | 151.0° | 37.7° |
| O5 | C23 | N11 | C31 | 1.0° | 0.2° |
| O5 | C23 | N11 | H45 | 179.0° | 179.9° |
| C25 | C24 | H38 | H39 | 118.0° | 120.0° |
| C24 | C25 | C26 | C27 | 177.2° | 179.7° |
| C24 | C25 | C26 | C28 | 176.5° | 180.0° |
| C24 | C25 | C26 | H40 | 3.6° | 0.0° |
| C24 | C25 | C27 | C29 | 176.6° | 179.9° |
| C24 | C25 | C27 | H41 | 3.4° | 0.0° |
| H38 | C24 | C25 | C26 | 60.6° | 30.0° |
| H38 | C24 | C25 | C27 | 122.2° | 149.7° |
| H39 | C24 | C25 | C26 | 179.3° | 150.0° |
| H39 | C24 | C25 | C27 | 3.5° | 29.8° |
| C25 | C26 | C28 | H40 | 180.0° | 180.0° |
| C26 | C25 | C27 | C29 | 0.6° | 0.2° |
| C26 | C25 | C27 | H41 | 179.4° | 179.7° |
| C25 | C26 | C28 | C30 | 0.2° | 0.0° |
| C25 | C26 | C28 | H42 | 179.8° | 180.0° |
| C27 | C25 | C26 | C28 | 0.7° | 0.3° |
| C27 | C25 | C26 | H40 | 179.3° | 179.8° |
| C25 | C27 | C29 | H41 | 180.0° | 179.9° |
| C25 | C27 | C29 | C30 | 0.1° | 0.1° |
| C25 | C27 | C29 | H43 | 179.9° | 179.9° |
| C26 | C28 | C30 | H42 | 180.0° | 179.9° |
| C26 | C28 | C30 | C29 | 0.5° | 0.3° |
| C26 | C28 | C30 | O6 | 179.1° | 180.0° |
| H40 | C26 | C28 | C30 | 179.8° | 180.0° |
| H40 | C26 | C28 | H42 | 0.2° | 0.1° |
| C27 | C29 | C30 | C28 | 0.7° | 0.3° |
| C27 | C29 | C30 | H43 | 180.0° | 180.0° |
| C27 | C29 | C30 | O6 | 179.0° | 179.9° |
| H41 | C27 | C29 | C30 | 179.9° | 180.0° |
| H41 | C27 | C29 | H43 | 0.1° | 0.0° |
| C28 | C30 | C29 | O6 | 179.7° | 179.8° |
| C28 | C30 | C29 | H43 | 179.3° | 179.7° |
| C28 | C30 | O6 | H44 | 180.0° | 90.0° |
| H42 | C28 | C30 | C29 | 179.5° | 179.7° |
| H42 | C28 | C30 | O6 | 0.8° | 0.1° |
| C29 | C30 | O6 | H44 | 0.4° | 89.7° |
| H43 | C29 | C30 | O6 | 1.0° | 0.1° |
| C31 | N11 | H45 | C23 | 180.0° | 179.9° |
| N11 | C31 | C32 | C33 | 123.2° | 119.7° |
| N11 | C31 | C32 | H46 | 118.6° | 119.7° |
| N11 | C31 | C33 | H46 | 118.6° | 120.4° |
| N11 | C31 | C32 | O7 | 134.4° | 24.5° |
| N11 | C31 | C33 | C34 | 72.1° | 52.8° |
| N11 | C31 | C33 | H47 | 48.5° | 67.3° |
| N11 | C31 | C33 | H48 | 167.3° | 172.8° |
| N11 | C31 | C32 | N15 | 43.8° | 155.5° |
| H45 | N11 | C31 | C32 | 46.4° | 90.7° |
| H45 | N11 | C31 | C33 | 77.6° | 149.6° |
| H45 | N11 | C31 | H46 | 164.4° | 29.0° |
| C32 | C31 | C33 | H46 | 118.2° | 120.5° |
| C31 | C32 | O7 | N15 | 178.1° | 180.0° |
| C32 | C31 | C33 | C34 | 164.7° | 171.8° |
| C32 | C31 | C33 | H47 | 74.7° | 51.7° |
| C32 | C31 | C33 | H48 | 44.1° | 68.2° |
| C31 | C32 | N15 | C37 | 174.1° | 179.8° |
| C31 | C32 | N15 | H58 | 5.9° | 0.3° |
| C32 | C31 | N11 | C23 | 133.5° | 89.3° |
| C33 | C31 | C32 | O7 | 11.2° | 144.2° |
| C31 | C33 | C34 | H47 | 120.6° | 120.0° |
| C31 | C33 | C34 | H48 | 120.6° | 120.0° |
| C31 | C33 | H47 | H48 | 118.1° | 119.9° |
| C31 | C33 | C34 | C35 | 175.7° | 180.0° |
| C31 | C33 | C34 | H49 | 55.6° | 60.0° |
| C31 | C33 | C34 | H50 | 64.3° | 60.0° |
| C33 | C31 | N11 | C23 | 102.5° | 30.5° |
| C33 | C31 | C32 | N15 | 167.0° | 35.8° |
| H46 | C31 | C32 | O7 | 107.0° | 95.2° |
| H46 | C31 | C33 | C34 | 46.5° | 67.7° |
| H46 | C31 | C33 | H47 | 167.1° | 172.3° |
| H46 | C31 | C33 | H48 | 74.1° | 52.3° |
| H46 | C31 | N11 | C23 | 15.6° | 151.0° |
| H46 | C31 | C32 | N15 | 74.8° | 84.8° |
| O7 | C32 | N15 | C37 | 4.1° | 0.2° |
| O7 | C32 | N15 | H58 | 175.9° | 179.8° |
| C34 | C33 | H47 | H48 | 118.1° | 120.0° |
| C33 | C34 | C35 | H49 | 120.1° | 120.0° |
| C33 | C34 | C35 | H50 | 120.0° | 120.0° |
| C33 | C34 | H49 | H50 | 119.8° | 120.0° |
| C33 | C34 | C35 | N12 | 167.8° | 180.0° |
| C33 | C34 | C35 | H51 | 71.8° | 60.0° |
| C33 | C34 | C35 | H52 | 47.5° | 60.0° |
| H47 | C33 | C34 | C35 | 63.7° | 60.0° |
| H47 | C33 | C34 | H49 | 176.2° | 180.0° |
| H47 | C33 | C34 | H50 | 56.3° | 60.1° |
| H48 | C33 | C34 | C35 | 55.1° | 60.0° |
| H48 | C33 | C34 | H49 | 65.0° | 60.0° |
| H48 | C33 | C34 | H50 | 175.1° | 179.9° |
| C35 | C34 | H49 | H50 | 119.8° | 120.0° |
| C34 | C35 | N12 | H51 | 120.4° | 120.0° |
| C34 | C35 | N12 | H52 | 120.3° | 120.0° |
| C34 | C35 | H51 | H52 | 119.0° | 120.0° |
| C34 | C35 | N12 | C36 | 88.9° | 180.0° |
| C34 | C35 | N12 | H53 | 91.1° | 0.0° |
| H49 | C34 | C35 | N12 | 47.8° | 60.0° |
| H49 | C34 | C35 | H51 | 168.1° | 180.0° |
| H49 | C34 | C35 | H52 | 72.6° | 60.0° |
| H50 | C34 | C35 | N12 | 72.1° | 60.0° |
| H50 | C34 | C35 | H51 | 48.2° | 60.0° |
| H50 | C34 | C35 | H52 | 167.5° | 180.0° |
| N12 | C35 | H51 | H52 | 118.9° | 120.0° |
| C35 | N12 | C36 | H53 | 180.0° | 180.0° |
| C35 | N12 | C36 | N13 | 0.8° | 0.0° |
| C35 | N12 | C36 | N14 | 179.2° | 180.0° |
| H51 | C35 | N12 | C36 | 150.7° | 60.0° |
| H51 | C35 | N12 | H53 | 29.3° | 120.0° |
| H52 | C35 | N12 | C36 | 31.4° | 60.0° |
| H52 | C35 | N12 | H53 | 148.6° | 120.0° |
| N12 | C36 | N13 | N14 | 180.0° | 180.0° |
| N12 | C36 | N13 | H54 | 179.9° | 0.0° |
| N12 | C36 | N13 | H55 | 0.0° | 180.0° |
| N12 | C36 | N14 | H56 | 180.0° | 0.0° |
| N12 | C36 | N14 | H57 | 0.1° | 180.0° |
| H53 | N12 | C36 | N13 | 179.2° | 180.0° |
| H53 | N12 | C36 | N14 | 0.8° | 0.0° |
| C36 | N13 | H54 | H55 | 180.0° | 180.0° |
| N13 | C36 | N14 | H56 | 0.0° | 180.0° |
| N13 | C36 | N14 | H57 | 180.0° | 0.0° |
| N14 | C36 | N13 | H54 | 0.0° | 180.0° |
| N14 | C36 | N13 | H55 | 180.0° | 0.0° |
| C36 | N14 | H56 | H57 | 180.0° | 180.0° |
| C37 | N15 | H58 | C32 | 180.0° | 179.9° |
| N15 | C37 | C38 | C39 | 121.2° | 119.7° |
| N15 | C37 | C38 | H59 | 118.5° | 119.9° |
| N15 | C37 | C39 | H59 | 118.6° | 120.3° |
| N15 | C37 | C38 | O8 | 34.2° | 23.3° |
| N15 | C37 | C39 | C40 | 59.0° | 65.0° |
| N15 | C37 | C39 | H60 | 61.8° | 55.0° |
| N15 | C37 | C39 | H61 | 179.8° | 175.0° |
| N15 | C37 | C38 | N1 | 148.6° | 156.4° |
| H58 | N15 | C37 | C38 | 37.1° | 88.6° |
| H58 | N15 | C37 | C39 | 87.3° | 31.0° |
| H58 | N15 | C37 | H59 | 154.9° | 151.4° |
| C38 | C37 | C39 | H59 | 120.3° | 120.4° |
| C37 | C38 | O8 | N1 | 177.0° | 179.6° |
| C38 | C37 | C39 | C40 | 179.9° | 175.8° |
| C38 | C37 | C39 | H60 | 59.4° | 64.2° |
| C38 | C37 | C39 | H61 | 59.1° | 55.7° |
| C38 | C37 | N15 | C32 | 142.9° | 91.5° |
| C39 | C37 | C38 | O8 | 155.4° | 96.4° |
| C37 | C39 | C40 | H60 | 120.8° | 120.1° |
| C37 | C39 | C40 | H61 | 120.8° | 120.0° |
| C37 | C39 | H60 | H61 | 117.7° | 119.9° |
| C37 | C39 | C40 | C41 | 71.4° | 90.0° |
| C37 | C39 | C40 | C42 | 107.8° | 90.3° |
| C39 | C37 | C38 | N1 | 27.4° | 83.9° |
| C39 | C37 | N15 | C32 | 92.7° | 148.9° |
| H59 | C37 | C38 | O8 | 84.3° | 143.2° |
| H59 | C37 | C39 | C40 | 59.6° | 55.3° |
| H59 | C37 | C39 | H60 | 179.6° | 175.4° |
| H59 | C37 | C39 | H61 | 61.2° | 64.7° |
| H59 | C37 | C38 | N1 | 92.9° | 36.5° |
| H59 | C37 | N15 | C32 | 25.1° | 28.5° |
| C40 | C39 | H60 | H61 | 117.7° | 120.0° |
| C39 | C40 | C41 | C42 | 179.2° | 179.7° |
| C39 | C40 | C41 | C43 | 179.0° | 180.0° |
| C39 | C40 | C41 | H62 | 0.9° | 0.0° |
| C39 | C40 | C42 | C44 | 179.5° | 180.0° |
| C39 | C40 | C42 | H63 | 0.5° | 0.0° |
| H60 | C39 | C40 | C41 | 167.8° | 30.0° |
| H60 | C39 | C40 | C42 | 12.9° | 149.7° |
| H61 | C39 | C40 | C41 | 49.4° | 150.0° |
| H61 | C39 | C40 | C42 | 131.4° | 29.7° |
| C40 | C41 | C43 | H62 | 180.0° | 180.0° |
| C41 | C40 | C42 | C44 | 0.3° | 0.3° |
| C41 | C40 | C42 | H63 | 179.7° | 179.7° |
| C40 | C41 | C43 | C45 | 0.4° | 0.0° |
| C40 | C41 | C43 | H64 | 179.6° | 179.9° |
| C42 | C40 | C41 | C43 | 0.2° | 0.3° |
| C42 | C40 | C41 | H62 | 179.8° | 179.7° |
| C40 | C42 | C44 | H63 | 180.0° | 180.0° |
| C40 | C42 | C44 | C45 | 0.6° | 0.0° |
| C40 | C42 | C44 | H65 | 179.4° | 180.0° |
| C41 | C43 | C45 | H64 | 180.0° | 179.9° |
| C41 | C43 | C45 | C44 | 0.0° | 0.3° |
| C41 | C43 | C45 | H66 | 180.0° | 180.0° |
| H62 | C41 | C43 | C45 | 179.7° | 180.0° |
| H62 | C41 | C43 | H64 | 0.3° | 0.1° |
| C42 | C44 | C45 | C43 | 0.5° | 0.3° |
| C42 | C44 | C45 | H65 | 180.0° | 180.0° |
| C42 | C44 | C45 | H66 | 179.5° | 180.0° |
| H63 | C42 | C44 | C45 | 179.4° | 180.0° |
| H63 | C42 | C44 | H65 | 0.6° | 0.0° |
| C43 | C45 | C44 | H66 | 180.0° | 179.7° |
| C43 | C45 | C44 | H65 | 179.5° | 179.7° |
| H64 | C43 | C45 | C44 | 180.0° | 179.8° |
| H64 | C43 | C45 | H66 | 0.0° | 0.1° |
| H65 | C44 | C45 | H66 | 0.5° | 0.0° |
