PRD_000243
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.42Å | 1.43Å | Aromatic |
| C9 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| N2 | C16 | sing | 1.47Å | 1.46Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.56Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | O3 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C21 | sing | 1.46Å | 1.45Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | O4 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| N4 | C27 | sing | 1.46Å | 1.46Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | O5 | doub | 1.21Å | 1.22Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| N5 | C30 | sing | 1.47Å | 1.45Å | |
| N5 | H40 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | O6 | doub | 1.21Å | 1.24Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | O7 | doub | 1.21Å | 1.25Å | |
| C34 | O8 | sing | 1.34Å | 1.24Å | |
| O8 | H46 | sing | 0.97Å | 0.95Å | |
| N6 | C35 | sing | 1.46Å | 1.44Å | |
| N6 | H47 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C35 | C37 | sing | 1.53Å | 1.54Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | O9 | doub | 1.21Å | 1.24Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | doub | 1.36Å | 1.38Å | Aromatic |
| C38 | C41 | sing | 1.41Å | 1.41Å | Aromatic |
| C39 | C40 | sing | 1.39Å | 1.37Å | Aromatic |
| C39 | H51 | sing | 1.08Å | 1.08Å | |
| C40 | C43 | doub | 1.36Å | 1.39Å | Aromatic |
| C40 | H52 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | doub | 1.42Å | 1.42Å | Aromatic |
| C41 | C44 | sing | 1.41Å | 1.40Å | Aromatic |
| C42 | C43 | sing | 1.41Å | 1.39Å | Aromatic |
| C42 | C47 | sing | 1.41Å | 1.40Å | Aromatic |
| C43 | H53 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | doub | 1.36Å | 1.40Å | Aromatic |
| C44 | H54 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | sing | 1.39Å | 1.38Å | Aromatic |
| C45 | H55 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | doub | 1.36Å | 1.38Å | Aromatic |
| C46 | H56 | sing | 1.08Å | 1.08Å | |
| C47 | H57 | sing | 1.08Å | 1.08Å | |
| N7 | H58 | sing | 0.97Å | 1.00Å | |
| N7 | H59 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C31 | N6 | sing | 1.35Å | 1.32Å | |
| C36 | N7 | sing | 1.35Å | 1.33Å | |
| C17 | N3 | sing | 1.35Å | 1.33Å | |
| C22 | N4 | sing | 1.35Å | 1.33Å | |
| C28 | N5 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.2° | 120.0° |
| O1 | C1 | N1 | 122.0° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | N1 | 116.8° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.3° | 120.0° |
| N1 | C3 | C4 | 107.0° | 109.5° |
| N1 | C3 | C5 | 110.3° | 109.5° |
| N1 | C3 | H5 | 109.3° | 109.5° |
| C3 | N1 | C1 | 121.3° | 120.0° |
| H4 | N1 | C1 | 119.4° | 120.0° |
| C4 | C3 | C5 | 113.6° | 109.5° |
| C4 | C3 | H5 | 108.5° | 109.4° |
| C3 | C4 | O2 | 120.0° | 120.0° |
| C3 | C4 | N2 | 116.5° | 120.0° |
| C5 | C3 | H5 | 108.1° | 109.5° |
| C3 | C5 | C6 | 112.9° | 109.4° |
| C3 | C5 | H6 | 108.6° | 109.5° |
| C3 | C5 | H7 | 108.6° | 109.5° |
| O2 | C4 | N2 | 123.0° | 120.0° |
| C6 | C5 | H6 | 108.6° | 109.4° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C5 | C6 | C7 | 118.9° | 120.2° |
| C5 | C6 | C9 | 123.0° | 120.2° |
| H6 | C5 | H7 | 109.5° | 109.6° |
| C7 | C6 | C9 | 118.1° | 119.6° |
| C6 | C7 | C8 | 121.8° | 121.0° |
| C6 | C7 | H8 | 119.1° | 119.5° |
| C6 | C9 | C10 | 120.3° | 119.4° |
| C6 | C9 | C12 | 120.7° | 121.3° |
| C8 | C7 | H8 | 119.1° | 119.5° |
| C7 | C8 | C11 | 121.2° | 121.0° |
| C7 | C8 | H9 | 119.4° | 119.5° |
| C11 | C8 | H9 | 119.4° | 119.5° |
| C8 | C11 | C10 | 119.2° | 119.7° |
| C8 | C11 | H10 | 120.4° | 120.2° |
| C10 | C9 | C12 | 119.0° | 119.4° |
| C9 | C10 | C11 | 119.4° | 119.4° |
| C9 | C10 | C15 | 120.2° | 119.4° |
| C9 | C12 | C13 | 119.2° | 119.6° |
| C9 | C12 | H11 | 120.4° | 120.2° |
| C11 | C10 | C15 | 120.4° | 121.3° |
| C10 | C11 | H10 | 120.4° | 120.1° |
| C10 | C15 | C14 | 119.6° | 119.6° |
| C10 | C15 | H14 | 120.2° | 120.2° |
| C13 | C12 | H11 | 120.4° | 120.2° |
| C12 | C13 | C14 | 121.2° | 121.0° |
| C12 | C13 | H12 | 119.4° | 119.5° |
| C14 | C13 | H12 | 119.4° | 119.5° |
| C13 | C14 | C15 | 120.8° | 121.0° |
| C13 | C14 | H13 | 119.6° | 119.5° |
| C15 | C14 | H13 | 119.6° | 119.5° |
| C14 | C15 | H14 | 120.2° | 120.2° |
| C16 | N2 | H15 | 118.8° | 120.0° |
| N2 | C16 | C17 | 104.3° | 109.5° |
| N2 | C16 | C18 | 111.7° | 109.4° |
| N2 | C16 | H16 | 109.9° | 109.5° |
| C16 | N2 | C4 | 122.3° | 120.0° |
| H15 | N2 | C4 | 118.8° | 120.1° |
| C17 | C16 | C18 | 113.3° | 109.4° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C16 | C17 | O3 | 122.3° | 120.0° |
| C16 | C17 | N3 | 113.7° | 120.0° |
| C18 | C16 | H16 | 108.6° | 109.5° |
| C16 | C18 | C19 | 110.1° | 109.4° |
| C16 | C18 | C20 | 110.7° | 109.5° |
| C16 | C18 | H17 | 108.8° | 109.5° |
| O3 | C17 | N3 | 123.8° | 120.0° |
| C19 | C18 | C20 | 109.1° | 109.5° |
| C19 | C18 | H17 | 109.0° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.5° | 109.5° |
| C20 | C18 | H17 | 109.2° | 109.5° |
| C18 | C20 | H21 | 109.5° | 109.5° |
| C18 | C20 | H22 | 109.5° | 109.5° |
| C18 | C20 | H23 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.4° | 109.4° |
| H18 | C19 | H20 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H21 | C20 | H22 | 109.4° | 109.5° |
| H21 | C20 | H23 | 109.4° | 109.4° |
| H22 | C20 | H23 | 109.5° | 109.4° |
| C21 | N3 | H24 | 117.5° | 120.0° |
| N3 | C21 | C22 | 120.7° | 109.5° |
| N3 | C21 | C23 | 108.1° | 109.5° |
| N3 | C21 | H25 | 105.3° | 109.5° |
| C21 | N3 | C17 | 125.0° | 120.0° |
| H24 | N3 | C17 | 117.5° | 120.0° |
| C22 | C21 | C23 | 112.4° | 109.4° |
| C22 | C21 | H25 | 104.4° | 109.4° |
| C21 | C22 | O4 | 121.3° | 120.0° |
| C21 | C22 | N4 | 116.5° | 120.0° |
| C23 | C21 | H25 | 104.4° | 109.4° |
| C21 | C23 | C24 | 111.2° | 109.5° |
| C21 | C23 | H26 | 109.0° | 109.5° |
| C21 | C23 | H27 | 109.0° | 109.4° |
| O4 | C22 | N4 | 122.0° | 120.0° |
| C24 | C23 | H26 | 109.1° | 109.5° |
| C24 | C23 | H27 | 109.0° | 109.5° |
| C23 | C24 | C25 | 114.3° | 109.5° |
| C23 | C24 | C26 | 108.8° | 109.5° |
| C23 | C24 | H28 | 108.0° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| C25 | C24 | C26 | 109.3° | 109.5° |
| C25 | C24 | H28 | 108.1° | 109.5° |
| C24 | C25 | H29 | 109.5° | 109.5° |
| C24 | C25 | H30 | 109.5° | 109.5° |
| C24 | C25 | H31 | 109.5° | 109.4° |
| C26 | C24 | H28 | 108.3° | 109.4° |
| C24 | C26 | H32 | 109.5° | 109.5° |
| C24 | C26 | H33 | 109.5° | 109.5° |
| C24 | C26 | H34 | 109.5° | 109.4° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H29 | C25 | H31 | 109.4° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.4° | 109.5° |
| H32 | C26 | H34 | 109.5° | 109.5° |
| H33 | C26 | H34 | 109.5° | 109.5° |
| C27 | N4 | H35 | 119.6° | 120.0° |
| N4 | C27 | C28 | 105.3° | 109.5° |
| N4 | C27 | C29 | 110.7° | 109.5° |
| N4 | C27 | H36 | 110.8° | 109.4° |
| C27 | N4 | C22 | 120.7° | 120.0° |
| H35 | N4 | C22 | 119.6° | 120.0° |
| C28 | C27 | C29 | 110.1° | 109.5° |
| C28 | C27 | H36 | 109.9° | 109.5° |
| C27 | C28 | O5 | 120.3° | 120.0° |
| C27 | C28 | N5 | 116.6° | 120.0° |
| C29 | C27 | H36 | 109.9° | 109.4° |
| C27 | C29 | H37 | 109.5° | 109.4° |
| C27 | C29 | H38 | 109.4° | 109.5° |
| C27 | C29 | H39 | 109.5° | 109.5° |
| O5 | C28 | N5 | 123.1° | 120.1° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H37 | C29 | H39 | 109.5° | 109.5° |
| H38 | C29 | H39 | 109.5° | 109.5° |
| C30 | N5 | H40 | 118.6° | 120.0° |
| N5 | C30 | C31 | 105.7° | 109.5° |
| N5 | C30 | C32 | 109.8° | 109.4° |
| N5 | C30 | H41 | 110.8° | 109.5° |
| C30 | N5 | C28 | 122.8° | 120.0° |
| H40 | N5 | C28 | 118.6° | 120.1° |
| C31 | C30 | C32 | 111.3° | 109.5° |
| C31 | C30 | H41 | 109.7° | 109.5° |
| C30 | C31 | O6 | 121.5° | 120.0° |
| C30 | C31 | N6 | 115.1° | 120.0° |
| C32 | C30 | H41 | 109.5° | 109.5° |
| C30 | C32 | C33 | 116.3° | 109.5° |
| C30 | C32 | H42 | 107.8° | 109.5° |
| C30 | C32 | H43 | 107.7° | 109.4° |
| O6 | C31 | N6 | 123.4° | 120.0° |
| C33 | C32 | H42 | 107.7° | 109.5° |
| C33 | C32 | H43 | 107.7° | 109.5° |
| C32 | C33 | C34 | 113.3° | 109.5° |
| C32 | C33 | H44 | 108.5° | 109.5° |
| C32 | C33 | H45 | 108.5° | 109.5° |
| H42 | C32 | H43 | 109.5° | 109.5° |
| C34 | C33 | H44 | 108.5° | 109.4° |
| C34 | C33 | H45 | 108.5° | 109.5° |
| C33 | C34 | O7 | 119.3° | 120.0° |
| C33 | C34 | O8 | 118.6° | 120.0° |
| H44 | C33 | H45 | 109.5° | 109.5° |
| O7 | C34 | O8 | 122.2° | 120.0° |
| C34 | O8 | H46 | 109.5° | 117.0° |
| C35 | N6 | H47 | 118.8° | 120.1° |
| N6 | C35 | C36 | 107.3° | 109.5° |
| N6 | C35 | C37 | 108.3° | 109.4° |
| N6 | C35 | H48 | 109.9° | 109.5° |
| C35 | N6 | C31 | 122.4° | 120.0° |
| H47 | N6 | C31 | 118.8° | 119.9° |
| C36 | C35 | C37 | 113.7° | 109.4° |
| C36 | C35 | H48 | 108.9° | 109.5° |
| C35 | C36 | O9 | 117.5° | 120.0° |
| C35 | C36 | N7 | 120.6° | 120.0° |
| C37 | C35 | H48 | 108.6° | 109.5° |
| C35 | C37 | C38 | 113.0° | 109.4° |
| C35 | C37 | H49 | 108.6° | 109.5° |
| C35 | C37 | H50 | 108.6° | 109.4° |
| O9 | C36 | N7 | 121.6° | 120.0° |
| C38 | C37 | H49 | 108.6° | 109.5° |
| C38 | C37 | H50 | 108.6° | 109.5° |
| C37 | C38 | C39 | 118.3° | 120.2° |
| C37 | C38 | C41 | 123.1° | 120.2° |
| H49 | C37 | H50 | 109.5° | 109.5° |
| C39 | C38 | C41 | 118.5° | 119.6° |
| C38 | C39 | C40 | 121.7° | 121.0° |
| C38 | C39 | H51 | 119.1° | 119.5° |
| C38 | C41 | C42 | 120.0° | 119.4° |
| C38 | C41 | C44 | 120.9° | 121.3° |
| C40 | C39 | H51 | 119.1° | 119.5° |
| C39 | C40 | C43 | 121.0° | 121.0° |
| C39 | C40 | H52 | 119.5° | 119.5° |
| C43 | C40 | H52 | 119.5° | 119.5° |
| C40 | C43 | C42 | 119.5° | 119.6° |
| C40 | C43 | H53 | 120.3° | 120.2° |
| C42 | C41 | C44 | 119.0° | 119.4° |
| C41 | C42 | C43 | 119.3° | 119.4° |
| C41 | C42 | C47 | 120.2° | 119.4° |
| C41 | C44 | C45 | 119.4° | 119.6° |
| C41 | C44 | H54 | 120.3° | 120.2° |
| C43 | C42 | C47 | 120.5° | 121.3° |
| C42 | C43 | H53 | 120.3° | 120.2° |
| C42 | C47 | C46 | 119.7° | 119.7° |
| C42 | C47 | H57 | 120.1° | 120.2° |
| C45 | C44 | H54 | 120.3° | 120.1° |
| C44 | C45 | C46 | 121.2° | 121.0° |
| C44 | C45 | H55 | 119.4° | 119.5° |
| C46 | C45 | H55 | 119.4° | 119.5° |
| C45 | C46 | C47 | 120.4° | 121.0° |
| C45 | C46 | H56 | 119.8° | 119.5° |
| C47 | C46 | H56 | 119.8° | 119.5° |
| C46 | C47 | H57 | 120.1° | 120.2° |
| H58 | N7 | H59 | 120.1° | 120.0° |
| H58 | N7 | C36 | 120.0° | 120.0° |
| H59 | N7 | C36 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.4° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 29.9° |
| O1 | C1 | N1 | C3 | 2.0° | 5.1° |
| O1 | C1 | N1 | H4 | 178.0° | 174.8° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 179.6° | 174.6° |
| C2 | C1 | N1 | H4 | 0.4° | 5.4° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.4° | 89.8° |
| H2 | C2 | C1 | N1 | 61.6° | 30.3° |
| H3 | C2 | C1 | N1 | 58.4° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 122.0° | 120.0° |
| N1 | C3 | C4 | H5 | 117.8° | 120.0° |
| N1 | C3 | C5 | H5 | 119.5° | 120.0° |
| N1 | C3 | C4 | O2 | 34.1° | 20.1° |
| N1 | C3 | C5 | C6 | 65.7° | 63.9° |
| N1 | C3 | C5 | H6 | 54.8° | 56.0° |
| N1 | C3 | C5 | H7 | 173.9° | 176.1° |
| N1 | C3 | C4 | N2 | 137.7° | 160.0° |
| H4 | N1 | C3 | C4 | 91.2° | 114.5° |
| H4 | N1 | C3 | C5 | 32.8° | 125.5° |
| H4 | N1 | C3 | H5 | 151.5° | 5.4° |
| C4 | C3 | C5 | H5 | 120.4° | 120.0° |
| C3 | C4 | O2 | N2 | 171.2° | 179.9° |
| C4 | C3 | C5 | C6 | 174.3° | 176.1° |
| C4 | C3 | C5 | H6 | 65.2° | 64.0° |
| C4 | C3 | C5 | H7 | 53.8° | 56.1° |
| C3 | C4 | N2 | C16 | 179.9° | 179.9° |
| C3 | C4 | N2 | H15 | 0.1° | 0.0° |
| C4 | C3 | N1 | C1 | 88.8° | 65.5° |
| C5 | C3 | C4 | O2 | 87.8° | 100.0° |
| C3 | C5 | C6 | H6 | 120.5° | 120.0° |
| C3 | C5 | C6 | H7 | 120.5° | 120.0° |
| C3 | C5 | H6 | H7 | 118.5° | 120.0° |
| C3 | C5 | C6 | C7 | 0.1° | 96.1° |
| C3 | C5 | C6 | C9 | 178.4° | 84.1° |
| C5 | C3 | N1 | C1 | 147.2° | 54.6° |
| C5 | C3 | C4 | N2 | 100.4° | 80.0° |
| H5 | C3 | C4 | O2 | 151.9° | 140.0° |
| H5 | C3 | C5 | C6 | 53.8° | 56.1° |
| H5 | C3 | C5 | H6 | 174.3° | 176.1° |
| H5 | C3 | C5 | H7 | 66.7° | 63.9° |
| H5 | C3 | N1 | C1 | 28.5° | 174.6° |
| H5 | C3 | C4 | N2 | 19.9° | 40.0° |
| O2 | C4 | N2 | C16 | 8.4° | 0.0° |
| O2 | C4 | N2 | H15 | 171.6° | 179.9° |
| C6 | C5 | H6 | H7 | 118.4° | 120.0° |
| C5 | C6 | C7 | C9 | 178.6° | 179.7° |
| C5 | C6 | C7 | C8 | 178.4° | 179.9° |
| C5 | C6 | C7 | H8 | 1.6° | 0.0° |
| C5 | C6 | C9 | C10 | 178.3° | 179.9° |
| C5 | C6 | C9 | C12 | 1.2° | 0.0° |
| H6 | C5 | C6 | C7 | 120.6° | 23.8° |
| H6 | C5 | C6 | C9 | 57.9° | 155.9° |
| H7 | C5 | C6 | C7 | 120.4° | 143.9° |
| H7 | C5 | C6 | C9 | 61.1° | 35.8° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| C6 | C7 | C8 | C11 | 0.1° | 0.1° |
| C6 | C7 | C8 | H9 | 179.8° | 180.0° |
| C7 | C6 | C9 | C10 | 0.2° | 0.2° |
| C7 | C6 | C9 | C12 | 179.7° | 179.7° |
| C9 | C6 | C7 | C8 | 0.2° | 0.2° |
| C9 | C6 | C7 | H8 | 179.8° | 179.7° |
| C6 | C9 | C10 | C12 | 179.6° | 179.9° |
| C6 | C9 | C10 | C11 | 0.1° | 0.1° |
| C6 | C9 | C10 | C15 | 179.5° | 180.0° |
| C6 | C9 | C12 | C13 | 179.5° | 180.0° |
| C6 | C9 | C12 | H11 | 0.5° | 0.0° |
| C7 | C8 | C11 | H9 | 180.0° | 179.9° |
| C7 | C8 | C11 | C10 | 0.1° | 0.4° |
| C7 | C8 | C11 | H10 | 180.0° | 180.0° |
| H8 | C7 | C8 | C11 | 179.9° | 180.0° |
| H8 | C7 | C8 | H9 | 0.2° | 0.1° |
| C8 | C11 | C10 | C9 | 0.1° | 0.4° |
| C8 | C11 | C10 | H10 | 180.0° | 179.7° |
| C8 | C11 | C10 | C15 | 179.5° | 179.7° |
| H9 | C8 | C11 | C10 | 179.9° | 179.7° |
| H9 | C8 | C11 | H10 | 0.1° | 0.1° |
| C9 | C10 | C11 | C15 | 179.6° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C10 | C9 | C12 | C13 | 0.1° | 0.0° |
| C10 | C9 | C12 | H11 | 179.9° | 179.9° |
| C9 | C10 | C15 | C14 | 0.0° | 0.0° |
| C9 | C10 | C15 | H14 | 180.0° | 179.9° |
| C12 | C9 | C10 | C11 | 179.7° | 180.0° |
| C12 | C9 | C10 | C15 | 0.1° | 0.1° |
| C9 | C12 | C13 | H11 | 180.0° | 179.9° |
| C9 | C12 | C13 | C14 | 0.0° | 0.0° |
| C9 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C10 | C15 | C14 | 179.6° | 180.0° |
| C11 | C10 | C15 | H14 | 0.5° | 0.0° |
| C15 | C10 | C11 | H10 | 0.5° | 0.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.0° |
| C10 | C15 | C14 | H14 | 180.0° | 179.9° |
| C10 | C15 | C14 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | H13 | 179.9° | 180.0° |
| H11 | C12 | C13 | C14 | 180.0° | 179.9° |
| H11 | C12 | C13 | H12 | 0.0° | 0.0° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C13 | C14 | C15 | H14 | 179.9° | 180.0° |
| H12 | C13 | C14 | C15 | 179.9° | 179.9° |
| H12 | C13 | C14 | H13 | 0.1° | 0.1° |
| H13 | C14 | C15 | H14 | 0.1° | 0.0° |
| C16 | N2 | H15 | C4 | 180.0° | 179.9° |
| N2 | C16 | C17 | C18 | 121.7° | 119.9° |
| N2 | C16 | C17 | H16 | 117.3° | 120.1° |
| N2 | C16 | C18 | H16 | 121.4° | 120.0° |
| N2 | C16 | C17 | O3 | 119.5° | 13.4° |
| N2 | C16 | C18 | C19 | 76.8° | 178.8° |
| N2 | C16 | C18 | C20 | 43.9° | 58.9° |
| N2 | C16 | C18 | H17 | 163.8° | 61.1° |
| N2 | C16 | C17 | N3 | 64.0° | 166.5° |
| H15 | N2 | C16 | C17 | 43.3° | 24.9° |
| H15 | N2 | C16 | C18 | 79.4° | 95.0° |
| H15 | N2 | C16 | H16 | 159.9° | 145.0° |
| C17 | C16 | C18 | H16 | 121.2° | 120.1° |
| C16 | C17 | O3 | N3 | 176.2° | 180.0° |
| C17 | C16 | C18 | C19 | 165.7° | 61.2° |
| C17 | C16 | C18 | C20 | 73.6° | 178.8° |
| C17 | C16 | C18 | H17 | 46.4° | 58.8° |
| C16 | C17 | N3 | C21 | 176.0° | 175.0° |
| C16 | C17 | N3 | H24 | 4.1° | 4.9° |
| C17 | C16 | N2 | C4 | 136.7° | 155.0° |
| C18 | C16 | C17 | O3 | 2.2° | 106.5° |
| C16 | C18 | C19 | C20 | 121.6° | 120.0° |
| C16 | C18 | C19 | H17 | 119.2° | 120.0° |
| C16 | C18 | C20 | H17 | 119.7° | 120.0° |
| C16 | C18 | C19 | H18 | 180.0° | 57.9° |
| C16 | C18 | C19 | H19 | 60.0° | 177.8° |
| C16 | C18 | C19 | H20 | 60.0° | 62.2° |
| C16 | C18 | C20 | H21 | 180.0° | 60.0° |
| C16 | C18 | C20 | H22 | 60.0° | 179.9° |
| C16 | C18 | C20 | H23 | 60.0° | 60.0° |
| C18 | C16 | N2 | C4 | 100.6° | 85.1° |
| C18 | C16 | C17 | N3 | 174.4° | 73.6° |
| H16 | C16 | C17 | O3 | 123.2° | 133.5° |
| H16 | C16 | C18 | C19 | 44.6° | 58.8° |
| H16 | C16 | C18 | C20 | 165.3° | 61.1° |
| H16 | C16 | C18 | H17 | 74.8° | 178.9° |
| H16 | C16 | N2 | C4 | 20.1° | 34.9° |
| H16 | C16 | C17 | N3 | 53.4° | 46.5° |
| O3 | C17 | N3 | C21 | 7.6° | 4.9° |
| O3 | C17 | N3 | H24 | 172.4° | 175.1° |
| C19 | C18 | C20 | H17 | 119.0° | 120.0° |
| C18 | C19 | H18 | H19 | 120.0° | 120.0° |
| C18 | C19 | H18 | H20 | 120.0° | 120.1° |
| C18 | C19 | H19 | H20 | 120.0° | 120.0° |
| C19 | C18 | C20 | H21 | 58.7° | 179.9° |
| C19 | C18 | C20 | H22 | 61.3° | 60.0° |
| C19 | C18 | C20 | H23 | 178.7° | 60.0° |
| C20 | C18 | C19 | H18 | 58.4° | 62.1° |
| C20 | C18 | C19 | H19 | 178.4° | 57.9° |
| C20 | C18 | C19 | H20 | 61.6° | 177.9° |
| C18 | C20 | H21 | H22 | 120.0° | 120.0° |
| C18 | C20 | H21 | H23 | 120.0° | 120.0° |
| C18 | C20 | H22 | H23 | 120.0° | 120.0° |
| H17 | C18 | C19 | H18 | 60.8° | 177.9° |
| H17 | C18 | C19 | H19 | 59.2° | 62.1° |
| H17 | C18 | C19 | H20 | 179.2° | 57.8° |
| H17 | C18 | C20 | H21 | 60.3° | 60.0° |
| H17 | C18 | C20 | H22 | 179.7° | 60.0° |
| H17 | C18 | C20 | H23 | 59.7° | 180.0° |
| H18 | C19 | H19 | H20 | 120.0° | 120.0° |
| H21 | C20 | H22 | H23 | 120.0° | 119.9° |
| C21 | N3 | H24 | C17 | 180.0° | 180.0° |
| N3 | C21 | C22 | C23 | 129.5° | 120.0° |
| N3 | C21 | C22 | H25 | 118.0° | 120.0° |
| N3 | C21 | C23 | H25 | 111.8° | 120.0° |
| N3 | C21 | C22 | O4 | 136.4° | 17.3° |
| N3 | C21 | C23 | C24 | 55.2° | 175.9° |
| N3 | C21 | C23 | H26 | 65.1° | 55.9° |
| N3 | C21 | C23 | H27 | 175.5° | 64.1° |
| N3 | C21 | C22 | N4 | 47.4° | 162.7° |
| H24 | N3 | C21 | C22 | 104.9° | 28.6° |
| H24 | N3 | C21 | C23 | 26.4° | 91.4° |
| H24 | N3 | C21 | H25 | 137.6° | 148.6° |
| C22 | C21 | C23 | H25 | 112.5° | 119.9° |
| C21 | C22 | O4 | N4 | 175.9° | 180.0° |
| C22 | C21 | C23 | C24 | 169.1° | 64.0° |
| C22 | C21 | C23 | H26 | 70.6° | 175.9° |
| C22 | C21 | C23 | H27 | 48.8° | 56.0° |
| C21 | C22 | N4 | C27 | 177.4° | 175.0° |
| C21 | C22 | N4 | H35 | 2.6° | 5.0° |
| C22 | C21 | N3 | C17 | 75.1° | 151.5° |
| C23 | C21 | C22 | O4 | 7.0° | 102.7° |
| C21 | C23 | C24 | H26 | 120.3° | 120.0° |
| C21 | C23 | C24 | H27 | 120.3° | 120.0° |
| C21 | C23 | H26 | H27 | 119.2° | 119.9° |
| C21 | C23 | C24 | C25 | 175.5° | 66.4° |
| C21 | C23 | C24 | C26 | 62.1° | 173.6° |
| C21 | C23 | C24 | H28 | 55.2° | 53.7° |
| C23 | C21 | N3 | C17 | 153.6° | 88.5° |
| C23 | C21 | C22 | N4 | 176.9° | 77.2° |
| H25 | C21 | C22 | O4 | 105.6° | 137.3° |
| H25 | C21 | C23 | C24 | 56.6° | 55.9° |
| H25 | C21 | C23 | H26 | 176.8° | 64.2° |
| H25 | C21 | C23 | H27 | 63.7° | 175.9° |
| H25 | C21 | N3 | C17 | 42.4° | 31.5° |
| H25 | C21 | C22 | N4 | 70.6° | 42.7° |
| O4 | C22 | N4 | C27 | 1.3° | 4.9° |
| O4 | C22 | N4 | H35 | 178.7° | 175.0° |
| C24 | C23 | H26 | H27 | 119.2° | 120.0° |
| C23 | C24 | C25 | C26 | 122.2° | 120.0° |
| C23 | C24 | C25 | H28 | 120.2° | 120.1° |
| C23 | C24 | C26 | H28 | 117.1° | 120.0° |
| C23 | C24 | C25 | H29 | 180.0° | 174.5° |
| C23 | C24 | C25 | H30 | 60.0° | 65.5° |
| C23 | C24 | C25 | H31 | 60.0° | 54.4° |
| C23 | C24 | C26 | H32 | 180.0° | 60.0° |
| C23 | C24 | C26 | H33 | 60.0° | 180.0° |
| C23 | C24 | C26 | H34 | 60.0° | 60.0° |
| H26 | C23 | C24 | C25 | 55.2° | 53.7° |
| H26 | C23 | C24 | C26 | 177.7° | 66.4° |
| H26 | C23 | C24 | H28 | 65.0° | 173.7° |
| H27 | C23 | C24 | C25 | 64.2° | 173.6° |
| H27 | C23 | C24 | C26 | 58.2° | 53.6° |
| H27 | C23 | C24 | H28 | 175.5° | 66.3° |
| C25 | C24 | C26 | H28 | 117.5° | 119.9° |
| C24 | C25 | H29 | H30 | 120.0° | 120.0° |
| C24 | C25 | H29 | H31 | 120.0° | 120.0° |
| C24 | C25 | H30 | H31 | 120.0° | 119.9° |
| C25 | C24 | C26 | H32 | 54.6° | 180.0° |
| C25 | C24 | C26 | H33 | 65.4° | 60.0° |
| C25 | C24 | C26 | H34 | 174.6° | 60.0° |
| C26 | C24 | C25 | H29 | 57.8° | 54.4° |
| C26 | C24 | C25 | H30 | 177.8° | 174.4° |
| C26 | C24 | C25 | H31 | 62.2° | 65.6° |
| C24 | C26 | H32 | H33 | 120.0° | 120.0° |
| C24 | C26 | H32 | H34 | 120.0° | 119.9° |
| C24 | C26 | H33 | H34 | 120.0° | 120.0° |
| H28 | C24 | C25 | H29 | 59.8° | 65.5° |
| H28 | C24 | C25 | H30 | 60.3° | 54.5° |
| H28 | C24 | C25 | H31 | 179.8° | 174.5° |
| H28 | C24 | C26 | H32 | 62.9° | 60.1° |
| H28 | C24 | C26 | H33 | 177.2° | 60.0° |
| H28 | C24 | C26 | H34 | 57.2° | 180.0° |
| H29 | C25 | H30 | H31 | 120.0° | 120.0° |
| H32 | C26 | H33 | H34 | 120.0° | 120.0° |
| C27 | N4 | H35 | C22 | 180.0° | 180.0° |
| N4 | C27 | C28 | C29 | 119.4° | 120.0° |
| N4 | C27 | C28 | H36 | 119.4° | 120.0° |
| N4 | C27 | C29 | H36 | 122.7° | 119.9° |
| N4 | C27 | C28 | O5 | 27.4° | 0.0° |
| N4 | C27 | C29 | H37 | 180.0° | 60.0° |
| N4 | C27 | C29 | H38 | 60.0° | 180.0° |
| N4 | C27 | C29 | H39 | 60.0° | 60.0° |
| N4 | C27 | C28 | N5 | 151.5° | 180.0° |
| H35 | N4 | C27 | C28 | 106.3° | 25.0° |
| H35 | N4 | C27 | C29 | 12.7° | 95.0° |
| H35 | N4 | C27 | H36 | 134.9° | 145.0° |
| C28 | C27 | C29 | H36 | 121.2° | 120.0° |
| C27 | C28 | O5 | N5 | 178.9° | 180.0° |
| C28 | C27 | C29 | H37 | 63.9° | 60.0° |
| C28 | C27 | C29 | H38 | 176.1° | 60.0° |
| C28 | C27 | C29 | H39 | 56.1° | 180.0° |
| C27 | C28 | N5 | C30 | 179.5° | 180.0° |
| C27 | C28 | N5 | H40 | 0.5° | 0.0° |
| C28 | C27 | N4 | C22 | 73.7° | 155.0° |
| C29 | C27 | C28 | O5 | 92.0° | 120.0° |
| C27 | C29 | H37 | H38 | 120.0° | 120.0° |
| C27 | C29 | H37 | H39 | 120.0° | 120.0° |
| C27 | C29 | H38 | H39 | 120.0° | 120.0° |
| C29 | C27 | N4 | C22 | 167.4° | 85.0° |
| C29 | C27 | C28 | N5 | 89.1° | 60.0° |
| H36 | C27 | C28 | O5 | 146.8° | 120.0° |
| H36 | C27 | C29 | H37 | 57.3° | 179.9° |
| H36 | C27 | C29 | H38 | 62.7° | 60.1° |
| H36 | C27 | C29 | H39 | 177.3° | 60.0° |
| H36 | C27 | N4 | C22 | 45.2° | 35.0° |
| H36 | C27 | C28 | N5 | 32.1° | 60.0° |
| O5 | C28 | N5 | C30 | 0.6° | 0.0° |
| O5 | C28 | N5 | H40 | 179.4° | 179.9° |
| H37 | C29 | H38 | H39 | 120.0° | 120.0° |
| C30 | N5 | H40 | C28 | 180.0° | 179.9° |
| N5 | C30 | C31 | C32 | 119.1° | 120.0° |
| N5 | C30 | C31 | H41 | 119.5° | 120.0° |
| N5 | C30 | C32 | H41 | 121.8° | 120.0° |
| N5 | C30 | C31 | O6 | 51.0° | 0.0° |
| N5 | C30 | C32 | C33 | 177.0° | 65.0° |
| N5 | C30 | C32 | H42 | 56.0° | 55.0° |
| N5 | C30 | C32 | H43 | 62.1° | 175.0° |
| N5 | C30 | C31 | N6 | 129.0° | 180.0° |
| H40 | N5 | C30 | C31 | 34.3° | 24.9° |
| H40 | N5 | C30 | C32 | 85.9° | 95.1° |
| H40 | N5 | C30 | H41 | 153.0° | 144.9° |
| C31 | C30 | C32 | H41 | 121.5° | 120.0° |
| C30 | C31 | O6 | N6 | 179.9° | 179.9° |
| C31 | C30 | C32 | C33 | 66.3° | 175.0° |
| C31 | C30 | C32 | H42 | 172.6° | 65.0° |
| C31 | C30 | C32 | H43 | 54.6° | 55.0° |
| C30 | C31 | N6 | C35 | 179.1° | 180.0° |
| C30 | C31 | N6 | H47 | 0.9° | 0.1° |
| C31 | C30 | N5 | C28 | 145.7° | 155.0° |
| C32 | C30 | C31 | O6 | 68.1° | 120.0° |
| C30 | C32 | C33 | H42 | 121.0° | 120.0° |
| C30 | C32 | C33 | H43 | 121.0° | 120.0° |
| C30 | C32 | H42 | H43 | 116.9° | 120.0° |
| C30 | C32 | C33 | C34 | 75.9° | 180.0° |
| C30 | C32 | C33 | H44 | 44.7° | 60.0° |
| C30 | C32 | C33 | H45 | 163.5° | 60.0° |
| C32 | C30 | C31 | N6 | 111.9° | 60.1° |
| C32 | C30 | N5 | C28 | 94.1° | 85.0° |
| H41 | C30 | C31 | O6 | 170.5° | 120.0° |
| H41 | C30 | C32 | C33 | 55.2° | 55.0° |
| H41 | C30 | C32 | H42 | 65.9° | 175.0° |
| H41 | C30 | C32 | H43 | 176.1° | 65.0° |
| H41 | C30 | C31 | N6 | 9.5° | 60.0° |
| H41 | C30 | N5 | C28 | 27.0° | 35.0° |
| O6 | C31 | N6 | C35 | 0.9° | 0.1° |
| O6 | C31 | N6 | H47 | 179.1° | 180.0° |
| C33 | C32 | H42 | H43 | 116.9° | 120.0° |
| C32 | C33 | C34 | H44 | 120.6° | 120.0° |
| C32 | C33 | C34 | H45 | 120.6° | 120.0° |
| C32 | C33 | H44 | H45 | 118.2° | 120.0° |
| C32 | C33 | C34 | O7 | 30.4° | 0.0° |
| C32 | C33 | C34 | O8 | 149.2° | 180.0° |
| H42 | C32 | C33 | C34 | 163.1° | 60.0° |
| H42 | C32 | C33 | H44 | 76.3° | 180.0° |
| H42 | C32 | C33 | H45 | 42.5° | 60.0° |
| H43 | C32 | C33 | C34 | 45.1° | 60.0° |
| H43 | C32 | C33 | H44 | 165.7° | 60.0° |
| H43 | C32 | C33 | H45 | 75.5° | NaN° |
| C34 | C33 | H44 | H45 | 118.2° | 120.0° |
| C33 | C34 | O7 | O8 | 179.6° | 179.9° |
| C33 | C34 | O8 | H46 | 179.6° | 180.0° |
| H44 | C33 | C34 | O7 | 151.0° | 120.0° |
| H44 | C33 | C34 | O8 | 28.6° | 60.0° |
| H45 | C33 | C34 | O7 | 90.2° | 120.0° |
| H45 | C33 | C34 | O8 | 90.2° | 60.0° |
| O7 | C34 | O8 | H46 | 0.0° | 0.1° |
| C35 | N6 | H47 | C31 | 180.0° | 179.9° |
| N6 | C35 | C36 | C37 | 119.8° | 119.9° |
| N6 | C35 | C36 | H48 | 118.9° | 120.0° |
| N6 | C35 | C37 | H48 | 119.4° | 120.0° |
| N6 | C35 | C36 | O9 | 53.0° | 0.1° |
| N6 | C35 | C37 | C38 | 71.5° | 64.5° |
| N6 | C35 | C37 | H49 | 49.0° | 55.5° |
| N6 | C35 | C37 | H50 | 168.0° | 175.5° |
| N6 | C35 | C36 | N7 | 120.7° | 180.0° |
| H47 | N6 | C35 | C36 | 55.9° | 91.2° |
| H47 | N6 | C35 | C37 | 67.3° | 28.7° |
| H47 | N6 | C35 | H48 | 174.2° | 148.7° |
| C36 | C35 | C37 | H48 | 121.5° | 120.0° |
| C35 | C36 | O9 | N7 | 173.6° | 179.9° |
| C36 | C35 | C37 | C38 | 169.4° | 175.5° |
| C36 | C35 | C37 | H49 | 70.1° | 64.5° |
| C36 | C35 | C37 | H50 | 48.9° | 55.6° |
| C35 | C36 | N7 | H58 | 173.4° | 0.0° |
| C35 | C36 | N7 | H59 | 6.6° | 180.0° |
| C36 | C35 | N6 | C31 | 124.1° | 88.7° |
| C37 | C35 | C36 | O9 | 66.8° | 120.0° |
| C35 | C37 | C38 | H49 | 120.5° | 120.0° |
| C35 | C37 | C38 | H50 | 120.5° | 119.9° |
| C35 | C37 | H49 | H50 | 118.4° | 120.0° |
| C35 | C37 | C38 | C39 | 58.9° | 100.8° |
| C35 | C37 | C38 | C41 | 118.3° | 79.5° |
| C37 | C35 | N6 | C31 | 112.7° | 151.4° |
| C37 | C35 | C36 | N7 | 119.5° | 60.1° |
| H48 | C35 | C36 | O9 | 171.9° | 120.0° |
| H48 | C35 | C37 | C38 | 47.9° | 55.5° |
| H48 | C35 | C37 | H49 | 168.4° | 175.5° |
| H48 | C35 | C37 | H50 | 72.6° | 64.5° |
| H48 | C35 | N6 | C31 | 5.8° | 31.4° |
| H48 | C35 | C36 | N7 | 1.7° | 60.0° |
| O9 | C36 | N7 | H58 | 0.0° | 180.0° |
| O9 | C36 | N7 | H59 | 180.0° | 0.1° |
| C38 | C37 | H49 | H50 | 118.4° | 120.0° |
| C37 | C38 | C39 | C41 | 177.3° | 179.7° |
| C37 | C38 | C39 | C40 | 177.2° | 180.0° |
| C37 | C38 | C39 | H51 | 2.8° | 0.1° |
| C37 | C38 | C41 | C42 | 177.2° | 180.0° |
| C37 | C38 | C41 | C44 | 2.2° | 0.0° |
| H49 | C37 | C38 | C39 | 179.4° | 19.2° |
| H49 | C37 | C38 | C41 | 2.2° | 160.5° |
| H50 | C37 | C38 | C39 | 61.6° | 139.2° |
| H50 | C37 | C38 | C41 | 121.2° | 40.5° |
| C38 | C39 | C40 | H51 | 180.0° | 179.9° |
| C38 | C39 | C40 | C43 | 0.3° | 0.0° |
| C38 | C39 | C40 | H52 | 179.7° | 179.9° |
| C39 | C38 | C41 | C42 | 0.0° | 0.3° |
| C39 | C38 | C41 | C44 | 179.4° | 179.7° |
| C41 | C38 | C39 | C40 | 0.1° | 0.3° |
| C41 | C38 | C39 | H51 | 179.9° | 179.8° |
| C38 | C41 | C42 | C44 | 179.4° | 180.0° |
| C38 | C41 | C42 | C43 | 0.0° | 0.0° |
| C38 | C41 | C42 | C47 | 179.6° | 180.0° |
| C38 | C41 | C44 | C45 | 179.4° | 180.0° |
| C38 | C41 | C44 | H54 | 0.6° | 0.0° |
| C39 | C40 | C43 | H52 | 180.0° | 179.9° |
| C39 | C40 | C43 | C42 | 0.2° | 0.3° |
| C39 | C40 | C43 | H53 | 179.7° | 180.0° |
| H51 | C39 | C40 | C43 | 179.8° | 179.9° |
| H51 | C39 | C40 | H52 | 0.2° | 0.0° |
| C40 | C43 | C42 | C41 | 0.1° | 0.3° |
| C40 | C43 | C42 | H53 | 180.0° | 179.7° |
| C40 | C43 | C42 | C47 | 179.4° | 179.7° |
| H52 | C40 | C43 | C42 | 179.7° | 179.8° |
| H52 | C40 | C43 | H53 | 0.3° | 0.1° |
| C41 | C42 | C43 | C47 | 179.5° | 179.9° |
| C41 | C42 | C43 | H53 | 179.9° | 180.0° |
| C42 | C41 | C44 | C45 | 0.0° | 0.0° |
| C42 | C41 | C44 | H54 | 180.0° | 180.0° |
| C41 | C42 | C47 | C46 | 0.2° | 0.1° |
| C41 | C42 | C47 | H57 | 179.8° | 180.0° |
| C44 | C41 | C42 | C43 | 179.4° | 180.0° |
| C44 | C41 | C42 | C47 | 0.2° | 0.1° |
| C41 | C44 | C45 | H54 | 180.0° | 179.9° |
| C41 | C44 | C45 | C46 | 0.2° | 0.0° |
| C41 | C44 | C45 | H55 | 179.8° | 179.9° |
| C43 | C42 | C47 | C46 | 179.3° | 180.0° |
| C43 | C42 | C47 | H57 | 0.7° | 0.1° |
| C47 | C42 | C43 | H53 | 0.6° | 0.0° |
| C42 | C47 | C46 | C45 | 0.1° | 0.1° |
| C42 | C47 | C46 | H57 | 180.0° | 179.9° |
| C42 | C47 | C46 | H56 | 180.0° | 180.0° |
| C44 | C45 | C46 | H55 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 0.1° | 0.0° |
| C44 | C45 | C46 | H56 | 179.9° | 180.0° |
| H54 | C44 | C45 | C46 | 179.8° | 180.0° |
| H54 | C44 | C45 | H55 | 0.2° | 0.0° |
| C45 | C46 | C47 | H56 | 180.0° | 180.0° |
| C45 | C46 | C47 | H57 | 179.9° | 180.0° |
| H55 | C45 | C46 | C47 | 179.8° | 179.9° |
| H55 | C45 | C46 | H56 | 0.2° | 0.0° |
| H56 | C46 | C47 | H57 | 0.0° | 0.1° |
| H58 | N7 | H59 | C36 | 179.9° | 180.0° |
