PRD_000427
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 | 1.50Å | |
| 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 | 1.47Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.20Å | |
| C5 | C6 | sing | 1.51Å | 1.54Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.36Å | 1.41Å | Aromatic |
| C6 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | 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 | 1.41Å | Aromatic |
| C9 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.38Å | 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 | 1.40Å | Aromatic |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| N2 | C16 | sing | 1.46Å | 1.46Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | O3 | doub | 1.21Å | 1.21Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C20 | sing | 1.53Å | 1.57Å | |
| 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 | 1.18Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.53Å | 1.61Å | |
| C21 | C26 | sing | 1.53Å | 1.56Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.56Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | O4 | sing | 1.43Å | 1.42Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| O4 | H36 | sing | 0.97Å | 0.95Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | O5 | doub | 1.21Å | 1.22Å | |
| N4 | C29 | sing | 1.47Å | 1.47Å | |
| N4 | H39 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | O6 | doub | 1.21Å | 1.21Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | O7 | doub | 1.21Å | 1.21Å | |
| C33 | O8 | sing | 1.34Å | 1.32Å | |
| O8 | H45 | sing | 0.97Å | 0.95Å | |
| N5 | C34 | sing | 1.47Å | 1.47Å | |
| N5 | H46 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.57Å | |
| C34 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | O9 | doub | 1.21Å | 1.35Å | |
| C36 | C37 | sing | 1.51Å | 1.55Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | doub | 1.36Å | 1.40Å | Aromatic |
| C37 | C40 | sing | 1.41Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | H50 | sing | 1.08Å | 1.08Å | |
| C39 | C42 | doub | 1.36Å | 1.39Å | Aromatic |
| C39 | H51 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | doub | 1.42Å | 1.41Å | Aromatic |
| C40 | C43 | sing | 1.40Å | 1.42Å | Aromatic |
| C41 | C42 | sing | 1.40Å | 1.40Å | Aromatic |
| C41 | C46 | sing | 1.41Å | 1.39Å | Aromatic |
| C42 | H52 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | doub | 1.36Å | 1.40Å | Aromatic |
| C43 | H53 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
| C44 | H54 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | doub | 1.36Å | 1.40Å | Aromatic |
| C45 | H55 | sing | 1.08Å | 1.08Å | |
| C46 | H56 | sing | 1.08Å | 1.08Å | |
| N6 | H57 | sing | 0.97Å | 1.00Å | |
| N6 | H58 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C4 | N2 | sing | 1.35Å | 1.35Å | |
| C17 | N3 | sing | 1.35Å | 1.37Å | |
| C28 | N4 | sing | 1.35Å | 1.35Å | |
| C30 | N5 | sing | 1.35Å | 1.35Å | |
| C35 | N6 | sing | 1.35Å | 1.22Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.3° | 120.0° |
| O1 | C1 | N1 | 118.0° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 119.7° | 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 | 121.2° | 120.0° |
| N1 | C3 | C4 | 105.0° | 109.5° |
| N1 | C3 | C5 | 112.8° | 109.5° |
| N1 | C3 | H5 | 109.0° | 109.5° |
| C3 | N1 | C1 | 117.7° | 120.0° |
| H4 | N1 | C1 | 121.1° | 120.0° |
| C4 | C3 | C5 | 113.3° | 109.5° |
| C4 | C3 | H5 | 108.4° | 109.4° |
| C3 | C4 | O2 | 117.9° | 120.0° |
| C3 | C4 | N2 | 117.1° | 120.0° |
| C5 | C3 | H5 | 108.1° | 109.5° |
| C3 | C5 | C6 | 118.3° | 109.5° |
| C3 | C5 | H6 | 107.2° | 109.5° |
| C3 | C5 | H7 | 107.2° | 109.5° |
| O2 | C4 | N2 | 125.0° | 120.0° |
| C6 | C5 | H6 | 107.2° | 109.4° |
| C6 | C5 | H7 | 107.2° | 109.4° |
| C5 | C6 | C7 | 122.3° | 120.2° |
| C5 | C6 | C9 | 119.0° | 120.2° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C9 | 118.6° | 119.6° |
| C6 | C7 | C8 | 122.1° | 121.0° |
| C6 | C7 | H8 | 119.0° | 119.5° |
| C6 | C9 | C10 | 119.7° | 119.4° |
| C6 | C9 | C12 | 121.2° | 121.3° |
| C8 | C7 | H8 | 119.0° | 119.5° |
| C7 | C8 | C11 | 118.3° | 121.0° |
| C7 | C8 | H9 | 120.8° | 119.5° |
| C11 | C8 | H9 | 120.9° | 119.5° |
| C8 | C11 | C10 | 121.1° | 119.6° |
| C8 | C11 | H10 | 119.5° | 120.2° |
| C10 | C9 | C12 | 119.1° | 119.4° |
| C9 | C10 | C11 | 120.2° | 119.3° |
| C9 | C10 | C15 | 118.9° | 119.4° |
| C9 | C12 | C13 | 122.8° | 119.6° |
| C9 | C12 | H11 | 118.6° | 120.2° |
| C11 | C10 | C15 | 120.8° | 121.3° |
| C10 | C11 | H10 | 119.5° | 120.2° |
| C10 | C15 | C14 | 120.9° | 119.7° |
| C10 | C15 | H14 | 119.6° | 120.2° |
| C13 | C12 | H11 | 118.6° | 120.2° |
| C12 | C13 | C14 | 116.9° | 121.0° |
| C12 | C13 | H12 | 121.6° | 119.5° |
| C14 | C13 | H12 | 121.5° | 119.5° |
| C13 | C14 | C15 | 121.3° | 121.0° |
| C13 | C14 | H13 | 119.4° | 119.5° |
| C15 | C14 | H13 | 119.3° | 119.5° |
| C14 | C15 | H14 | 119.5° | 120.2° |
| C16 | N2 | H15 | 119.5° | 120.1° |
| N2 | C16 | C17 | 102.8° | 109.5° |
| N2 | C16 | C18 | 108.5° | 109.5° |
| N2 | C16 | H16 | 109.7° | 109.5° |
| C16 | N2 | C4 | 120.9° | 120.0° |
| H15 | N2 | C4 | 119.5° | 120.0° |
| C17 | C16 | C18 | 118.1° | 109.4° |
| C17 | C16 | H16 | 109.0° | 109.4° |
| C16 | C17 | O3 | 115.3° | 120.0° |
| C16 | C17 | N3 | 121.1° | 120.0° |
| C18 | C16 | H16 | 108.4° | 109.5° |
| C16 | C18 | C19 | 109.5° | 109.4° |
| C16 | C18 | C20 | 113.6° | 109.5° |
| C16 | C18 | H17 | 109.4° | 109.4° |
| O3 | C17 | N3 | 123.6° | 120.0° |
| C19 | C18 | C20 | 105.7° | 109.5° |
| C19 | C18 | H17 | 109.4° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.4° |
| C18 | C19 | H20 | 109.4° | 109.5° |
| C20 | C18 | H17 | 109.1° | 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 | 109.5° | 109.5° |
| H18 | C19 | H20 | 109.4° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H21 | C20 | H22 | 109.4° | 109.5° |
| H21 | C20 | H23 | 109.5° | 109.4° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| C21 | N3 | H24 | 117.4° | 120.0° |
| N3 | C21 | C22 | 110.4° | 109.5° |
| N3 | C21 | C26 | 111.8° | 109.4° |
| N3 | C21 | H25 | 110.9° | 109.5° |
| C21 | N3 | C17 | 125.1° | 120.0° |
| H24 | N3 | C17 | 117.5° | 120.0° |
| C22 | C21 | C26 | 112.7° | 109.5° |
| C22 | C21 | H25 | 105.1° | 109.5° |
| C21 | C22 | C23 | 111.0° | 109.5° |
| C21 | C22 | H26 | 109.1° | 109.4° |
| C21 | C22 | H27 | 109.1° | 109.5° |
| C26 | C21 | H25 | 105.6° | 109.5° |
| C21 | C26 | O4 | 108.4° | 109.5° |
| C21 | C26 | C27 | 120.0° | 109.4° |
| C21 | C26 | H35 | 105.5° | 109.4° |
| C23 | C22 | H26 | 109.1° | 109.5° |
| C23 | C22 | H27 | 109.1° | 109.4° |
| C22 | C23 | C24 | 114.8° | 109.4° |
| C22 | C23 | C25 | 110.2° | 109.5° |
| C22 | C23 | H28 | 107.5° | 109.5° |
| H26 | C22 | H27 | 109.4° | 109.5° |
| C24 | C23 | C25 | 108.8° | 109.5° |
| C24 | C23 | H28 | 107.7° | 109.5° |
| C23 | C24 | H29 | 109.5° | 109.4° |
| C23 | C24 | H30 | 109.4° | 109.5° |
| C23 | C24 | H31 | 109.5° | 109.4° |
| C25 | C23 | H28 | 107.5° | 109.5° |
| C23 | C25 | H32 | 109.5° | 109.4° |
| C23 | C25 | H33 | 109.4° | 109.5° |
| C23 | C25 | H34 | 109.5° | 109.5° |
| H29 | C24 | H30 | 109.5° | 109.5° |
| H29 | C24 | H31 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H34 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.5° |
| O4 | C26 | C27 | 109.7° | 109.5° |
| O4 | C26 | H35 | 107.0° | 109.5° |
| C26 | O4 | H36 | 109.5° | 114.0° |
| C27 | C26 | H35 | 105.4° | 109.5° |
| C26 | C27 | C28 | 117.2° | 109.5° |
| C26 | C27 | H37 | 107.5° | 109.5° |
| C26 | C27 | H38 | 107.5° | 109.5° |
| C28 | C27 | H37 | 107.5° | 109.4° |
| C28 | C27 | H38 | 107.5° | 109.5° |
| C27 | C28 | O5 | 120.9° | 119.9° |
| C27 | C28 | N4 | 116.6° | 120.0° |
| H37 | C27 | H38 | 109.4° | 109.5° |
| O5 | C28 | N4 | 122.4° | 120.1° |
| C29 | N4 | H39 | 118.1° | 120.0° |
| N4 | C29 | C30 | 108.2° | 109.4° |
| N4 | C29 | C31 | 108.3° | 109.4° |
| N4 | C29 | H40 | 111.6° | 109.5° |
| C29 | N4 | C28 | 123.8° | 120.0° |
| H39 | N4 | C28 | 118.1° | 120.0° |
| C30 | C29 | C31 | 107.7° | 109.5° |
| C30 | C29 | H40 | 110.6° | 109.5° |
| C29 | C30 | O6 | 120.5° | 120.0° |
| C29 | C30 | N5 | 117.6° | 119.9° |
| C31 | C29 | H40 | 110.3° | 109.5° |
| C29 | C31 | C32 | 115.0° | 109.5° |
| C29 | C31 | H41 | 108.1° | 109.5° |
| C29 | C31 | H42 | 108.1° | 109.4° |
| O6 | C30 | N5 | 121.9° | 120.0° |
| C32 | C31 | H41 | 108.1° | 109.5° |
| C32 | C31 | H42 | 108.1° | 109.5° |
| C31 | C32 | C33 | 108.5° | 109.5° |
| C31 | C32 | H43 | 109.7° | 109.5° |
| C31 | C32 | H44 | 109.7° | 109.5° |
| H41 | C31 | H42 | 109.4° | 109.4° |
| C33 | C32 | H43 | 109.7° | 109.5° |
| C33 | C32 | H44 | 109.7° | 109.5° |
| C32 | C33 | O7 | 116.8° | 120.0° |
| C32 | C33 | O8 | 121.2° | 120.0° |
| H43 | C32 | H44 | 109.4° | 109.5° |
| O7 | C33 | O8 | 121.7° | 120.0° |
| C33 | O8 | H45 | 109.5° | 117.0° |
| C34 | N5 | H46 | 119.7° | 120.0° |
| N5 | C34 | C35 | 103.6° | 109.4° |
| N5 | C34 | C36 | 108.4° | 109.4° |
| N5 | C34 | H47 | 110.0° | 109.5° |
| C34 | N5 | C30 | 120.6° | 120.0° |
| H46 | N5 | C30 | 119.7° | 120.1° |
| C35 | C34 | C36 | 116.7° | 109.5° |
| C35 | C34 | H47 | 109.3° | 109.5° |
| C34 | C35 | O9 | 118.7° | 120.0° |
| C34 | C35 | N6 | 119.6° | 120.0° |
| C36 | C34 | H47 | 108.7° | 109.5° |
| C34 | C36 | C37 | 120.7° | 109.5° |
| C34 | C36 | H48 | 106.6° | 109.5° |
| C34 | C36 | H49 | 106.6° | 109.4° |
| O9 | C35 | N6 | 121.7° | 120.0° |
| C37 | C36 | H48 | 106.6° | 109.5° |
| C37 | C36 | H49 | 106.6° | 109.5° |
| C36 | C37 | C38 | 122.1° | 120.2° |
| C36 | C37 | C40 | 120.9° | 120.2° |
| H48 | C36 | H49 | 109.5° | 109.5° |
| C38 | C37 | C40 | 116.9° | 119.6° |
| C37 | C38 | C39 | 122.6° | 121.0° |
| C37 | C38 | H50 | 118.7° | 119.5° |
| C37 | C40 | C41 | 120.8° | 119.3° |
| C37 | C40 | C43 | 119.9° | 121.3° |
| C39 | C38 | H50 | 118.7° | 119.5° |
| C38 | C39 | C42 | 120.2° | 121.0° |
| C38 | C39 | H51 | 119.9° | 119.5° |
| C42 | C39 | H51 | 119.9° | 119.5° |
| C39 | C42 | C41 | 118.3° | 119.6° |
| C39 | C42 | H52 | 120.8° | 120.2° |
| C41 | C40 | C43 | 119.3° | 119.4° |
| C40 | C41 | C42 | 121.0° | 119.4° |
| C40 | C41 | C46 | 120.5° | 119.3° |
| C40 | C43 | C44 | 120.4° | 119.6° |
| C40 | C43 | H53 | 119.8° | 120.2° |
| C42 | C41 | C46 | 118.5° | 121.3° |
| C41 | C42 | H52 | 120.8° | 120.2° |
| C41 | C46 | C45 | 118.5° | 119.7° |
| C41 | C46 | H56 | 120.7° | 120.1° |
| C44 | C43 | H53 | 119.8° | 120.1° |
| C43 | C44 | C45 | 118.4° | 121.0° |
| C43 | C44 | H54 | 120.8° | 119.6° |
| C45 | C44 | H54 | 120.8° | 119.5° |
| C44 | C45 | C46 | 122.9° | 121.0° |
| C44 | C45 | H55 | 118.6° | 119.5° |
| C46 | C45 | H55 | 118.5° | 119.5° |
| C45 | C46 | H56 | 120.7° | 120.2° |
| H57 | N6 | H58 | 120.0° | 120.0° |
| H57 | N6 | C35 | 120.0° | 120.0° |
| H58 | N6 | C35 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.0° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 0.8° | 5.3° |
| O1 | C1 | N1 | H4 | 179.2° | 174.7° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 178.2° | 174.4° |
| C2 | C1 | N1 | H4 | 1.8° | 5.6° |
| H1 | C2 | H2 | H3 | 119.9° | 120.0° |
| H1 | C2 | C1 | N1 | 179.0° | 179.7° |
| H2 | C2 | C1 | N1 | 59.0° | 59.7° |
| H3 | C2 | C1 | N1 | 61.0° | 60.4° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 123.5° | 120.0° |
| N1 | C3 | C4 | H5 | 116.4° | 120.0° |
| N1 | C3 | C5 | H5 | 120.6° | 120.0° |
| N1 | C3 | C4 | O2 | 49.5° | 20.0° |
| N1 | C3 | C5 | C6 | 77.7° | 63.8° |
| N1 | C3 | C5 | H6 | 43.6° | 56.1° |
| N1 | C3 | C5 | H7 | 161.0° | 176.2° |
| N1 | C3 | C4 | N2 | 130.3° | 160.0° |
| H4 | N1 | C3 | C4 | 77.3° | 114.4° |
| H4 | N1 | C3 | C5 | 46.6° | 125.5° |
| H4 | N1 | C3 | H5 | 166.7° | 5.5° |
| C4 | C3 | C5 | H5 | 120.2° | 120.0° |
| C3 | C4 | O2 | N2 | 179.8° | 180.0° |
| C4 | C3 | C5 | C6 | 163.2° | 176.1° |
| C4 | C3 | C5 | H6 | 75.6° | 63.9° |
| C4 | C3 | C5 | H7 | 41.9° | 56.1° |
| C3 | C4 | N2 | C16 | 178.6° | 180.0° |
| C3 | C4 | N2 | H15 | 1.4° | 0.0° |
| C4 | C3 | N1 | C1 | 102.7° | 65.5° |
| C5 | C3 | C4 | O2 | 74.0° | 100.0° |
| C3 | C5 | C6 | H6 | 121.2° | 120.0° |
| C3 | C5 | C6 | H7 | 121.3° | 120.1° |
| C3 | C5 | H6 | H7 | 116.0° | 120.1° |
| C3 | C5 | C6 | C7 | 3.9° | 95.9° |
| C3 | C5 | C6 | C9 | 179.3° | 84.3° |
| C5 | C3 | N1 | C1 | 133.4° | 54.5° |
| C5 | C3 | C4 | N2 | 106.2° | 80.0° |
| H5 | C3 | C4 | O2 | 166.0° | 140.0° |
| H5 | C3 | C5 | C6 | 43.0° | 56.2° |
| H5 | C3 | C5 | H6 | 164.2° | 176.1° |
| H5 | C3 | C5 | H7 | 78.3° | 63.8° |
| H5 | C3 | N1 | C1 | 13.3° | 174.5° |
| H5 | C3 | C4 | N2 | 13.9° | 40.0° |
| O2 | C4 | N2 | C16 | 1.3° | 0.0° |
| O2 | C4 | N2 | H15 | 178.7° | 180.0° |
| C6 | C5 | H6 | H7 | 116.0° | 120.0° |
| C5 | C6 | C7 | C9 | 175.4° | 179.8° |
| C5 | C6 | C7 | C8 | 179.0° | 180.0° |
| C5 | C6 | C7 | H8 | 1.0° | 0.0° |
| C5 | C6 | C9 | C10 | 178.8° | 180.0° |
| C5 | C6 | C9 | C12 | 2.0° | 0.1° |
| H6 | C5 | C6 | C7 | 117.3° | 24.0° |
| H6 | C5 | C6 | C9 | 58.0° | 155.7° |
| H7 | C5 | C6 | C7 | 125.2° | 144.0° |
| H7 | C5 | C6 | C9 | 59.5° | 35.7° |
| C6 | C7 | C8 | H8 | 180.0° | 179.9° |
| C6 | C7 | C8 | C11 | 2.4° | 0.1° |
| C6 | C7 | C8 | H9 | 177.6° | 180.0° |
| C7 | C6 | C9 | C10 | 3.2° | 0.3° |
| C7 | C6 | C9 | C12 | 177.5° | 179.7° |
| C9 | C6 | C7 | C8 | 3.7° | 0.2° |
| C9 | C6 | C7 | H8 | 176.3° | 179.7° |
| C6 | C9 | C10 | C12 | 179.3° | 180.0° |
| C6 | C9 | C10 | C11 | 1.7° | 0.0° |
| C6 | C9 | C10 | C15 | 177.1° | 180.0° |
| C6 | C9 | C12 | C13 | 177.2° | 180.0° |
| C6 | C9 | C12 | H11 | 2.8° | 0.0° |
| C7 | C8 | C11 | H9 | 180.0° | 179.9° |
| C7 | C8 | C11 | C10 | 0.8° | 0.3° |
| C7 | C8 | C11 | H10 | 179.2° | 179.9° |
| H8 | C7 | C8 | C11 | 177.6° | 180.0° |
| H8 | C7 | C8 | H9 | 2.4° | 0.1° |
| C8 | C11 | C10 | C9 | 0.4° | 0.3° |
| C8 | C11 | C10 | H10 | 180.0° | 179.7° |
| C8 | C11 | C10 | C15 | 178.3° | 179.7° |
| H9 | C8 | C11 | C10 | 179.2° | 179.8° |
| H9 | C8 | C11 | H10 | 0.8° | 0.0° |
| C9 | C10 | C11 | C15 | 178.7° | 179.9° |
| C9 | C10 | C11 | H10 | 179.6° | 180.0° |
| C10 | C9 | C12 | C13 | 2.1° | 0.0° |
| C10 | C9 | C12 | H11 | 177.9° | 180.0° |
| C9 | C10 | C15 | C14 | 2.0° | 0.0° |
| C9 | C10 | C15 | H14 | 178.0° | 180.0° |
| C12 | C9 | C10 | C11 | 179.0° | 180.0° |
| C12 | C9 | C10 | C15 | 2.3° | 0.0° |
| C9 | C12 | C13 | H11 | 180.0° | 180.0° |
| C9 | C12 | C13 | C14 | 1.6° | 0.0° |
| C9 | C12 | C13 | H12 | 178.4° | 180.0° |
| C11 | C10 | C15 | C14 | 179.3° | 180.0° |
| C11 | C10 | C15 | H14 | 0.8° | 0.0° |
| C15 | C10 | C11 | H10 | 1.7° | 0.1° |
| C10 | C15 | C14 | C13 | 1.6° | 0.1° |
| C10 | C15 | C14 | H14 | 180.0° | 180.0° |
| C10 | C15 | C14 | H13 | 178.4° | 180.0° |
| C12 | C13 | C14 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H13 | 178.7° | 180.0° |
| H11 | C12 | C13 | C14 | 178.4° | 180.0° |
| H11 | C12 | C13 | H12 | 1.6° | 0.0° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C13 | C14 | C15 | H14 | 178.4° | 180.0° |
| H12 | C13 | C14 | C15 | 178.7° | 180.0° |
| H12 | C13 | C14 | H13 | 1.3° | 0.0° |
| H13 | C14 | C15 | H14 | 1.6° | 0.0° |
| C16 | N2 | H15 | C4 | 180.0° | 179.9° |
| N2 | C16 | C17 | C18 | 119.4° | 120.0° |
| N2 | C16 | C17 | H16 | 116.3° | 120.0° |
| N2 | C16 | C18 | H16 | 119.1° | 120.0° |
| N2 | C16 | C17 | O3 | 71.0° | 14.4° |
| N2 | C16 | C18 | C19 | 77.6° | 64.6° |
| N2 | C16 | C18 | C20 | 40.3° | 175.3° |
| N2 | C16 | C18 | H17 | 162.5° | 55.3° |
| N2 | C16 | C17 | N3 | 107.7° | 165.5° |
| H15 | N2 | C16 | C17 | 48.8° | 25.0° |
| H15 | N2 | C16 | C18 | 77.0° | 95.0° |
| H15 | N2 | C16 | H16 | 164.7° | 145.0° |
| C17 | C16 | C18 | H16 | 124.6° | 119.9° |
| C16 | C17 | O3 | N3 | 178.7° | 180.0° |
| C17 | C16 | C18 | C19 | 166.1° | 55.4° |
| C17 | C16 | C18 | C20 | 76.1° | 64.6° |
| C17 | C16 | C18 | H17 | 46.2° | 175.4° |
| C16 | C17 | N3 | C21 | 173.9° | 173.8° |
| C16 | C17 | N3 | H24 | 6.1° | 6.2° |
| C17 | C16 | N2 | C4 | 131.2° | 155.0° |
| C18 | C16 | C17 | O3 | 48.4° | 105.6° |
| C16 | C18 | C19 | C20 | 122.7° | 120.0° |
| C16 | C18 | C19 | H17 | 119.9° | 120.0° |
| C16 | C18 | C20 | H17 | 122.4° | 120.0° |
| C16 | C18 | C19 | H18 | 180.0° | 60.0° |
| C16 | C18 | C19 | H19 | 60.0° | 180.0° |
| C16 | C18 | C19 | H20 | 60.0° | 60.0° |
| C16 | C18 | C20 | H21 | 180.0° | 57.7° |
| C16 | C18 | C20 | H22 | 60.0° | 177.7° |
| C16 | C18 | C20 | H23 | 60.0° | 62.3° |
| C18 | C16 | N2 | C4 | 103.0° | 85.0° |
| C18 | C16 | C17 | N3 | 132.9° | 74.4° |
| H16 | C16 | C17 | O3 | 172.7° | 134.5° |
| H16 | C16 | C18 | C19 | 41.6° | 175.3° |
| H16 | C16 | C18 | C20 | 159.4° | 55.3° |
| H16 | C16 | C18 | H17 | 78.4° | 64.7° |
| H16 | C16 | N2 | C4 | 15.3° | 35.0° |
| H16 | C16 | C17 | N3 | 8.6° | 45.5° |
| O3 | C17 | N3 | C21 | 4.8° | 6.2° |
| O3 | C17 | N3 | H24 | 175.3° | 173.8° |
| C19 | C18 | C20 | H17 | 117.6° | 120.0° |
| C18 | C19 | H18 | H19 | 120.0° | 120.0° |
| C18 | C19 | H18 | H20 | 120.0° | 120.0° |
| C18 | C19 | H19 | H20 | 120.0° | 120.0° |
| C19 | C18 | C20 | H21 | 60.0° | 177.7° |
| C19 | C18 | C20 | H22 | 60.0° | 62.3° |
| C19 | C18 | C20 | H23 | 180.0° | 57.7° |
| C20 | C18 | C19 | H18 | 57.3° | 60.0° |
| C20 | C18 | C19 | H19 | 177.3° | 60.0° |
| C20 | C18 | C19 | H20 | 62.7° | 180.0° |
| 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 | 60.1° | 180.0° |
| H17 | C18 | C19 | H19 | 59.9° | 60.0° |
| H17 | C18 | C19 | H20 | 180.0° | 59.9° |
| H17 | C18 | C20 | H21 | 57.6° | 62.3° |
| H17 | C18 | C20 | H22 | 177.6° | 57.8° |
| H17 | C18 | C20 | H23 | 62.4° | 177.7° |
| H18 | C19 | H19 | H20 | 120.0° | 120.0° |
| H21 | C20 | H22 | H23 | 120.0° | 120.0° |
| C21 | N3 | H24 | C17 | 180.0° | 180.0° |
| N3 | C21 | C22 | C26 | 125.8° | 120.0° |
| N3 | C21 | C22 | H25 | 119.6° | 120.0° |
| N3 | C21 | C26 | H25 | 120.7° | 120.0° |
| N3 | C21 | C22 | C23 | 55.5° | 178.3° |
| N3 | C21 | C22 | H26 | 64.7° | 58.2° |
| N3 | C21 | C22 | H27 | 175.8° | 61.8° |
| N3 | C21 | C26 | O4 | 36.2° | 60.0° |
| N3 | C21 | C26 | C27 | 90.8° | 60.0° |
| N3 | C21 | C26 | H35 | 150.6° | 180.0° |
| H24 | N3 | C21 | C22 | 72.5° | 91.4° |
| H24 | N3 | C21 | C26 | 53.8° | 28.6° |
| H24 | N3 | C21 | H25 | 171.4° | 148.5° |
| C22 | C21 | C26 | H25 | 114.2° | 120.0° |
| C21 | C22 | C23 | H26 | 120.3° | 120.0° |
| C21 | C22 | C23 | H27 | 120.3° | 120.0° |
| C21 | C22 | H26 | H27 | 119.3° | 120.0° |
| C21 | C22 | C23 | C24 | 165.3° | 63.6° |
| C21 | C22 | C23 | C25 | 71.4° | 176.4° |
| C21 | C22 | C23 | H28 | 45.5° | 56.4° |
| C22 | C21 | C26 | O4 | 88.9° | 60.0° |
| C22 | C21 | C26 | C27 | 144.1° | 180.0° |
| C22 | C21 | C26 | H35 | 25.5° | 60.0° |
| C22 | C21 | N3 | C17 | 107.5° | 88.6° |
| C26 | C21 | C22 | C23 | 178.6° | 61.7° |
| C26 | C21 | C22 | H26 | 61.1° | 178.2° |
| C26 | C21 | C22 | H27 | 58.4° | 58.2° |
| C21 | C26 | O4 | C27 | 132.8° | 120.0° |
| C21 | C26 | O4 | H35 | 113.3° | 120.0° |
| C21 | C26 | C27 | H35 | 118.7° | 119.9° |
| C21 | C26 | O4 | H36 | 180.0° | 60.0° |
| C21 | C26 | C27 | C28 | 75.0° | 175.0° |
| C21 | C26 | C27 | H37 | 163.9° | 65.0° |
| C21 | C26 | C27 | H38 | 46.2° | 55.0° |
| C26 | C21 | N3 | C17 | 126.2° | 151.4° |
| H25 | C21 | C22 | C23 | 64.1° | 58.2° |
| H25 | C21 | C22 | H26 | 175.7° | 61.8° |
| H25 | C21 | C22 | H27 | 56.2° | 178.2° |
| H25 | C21 | C26 | O4 | 156.9° | 180.0° |
| H25 | C21 | C26 | C27 | 29.9° | 60.0° |
| H25 | C21 | C26 | H35 | 88.8° | 60.0° |
| H25 | C21 | N3 | C17 | 8.6° | 31.4° |
| C23 | C22 | H26 | H27 | 119.3° | 120.0° |
| C22 | C23 | C24 | C25 | 124.0° | 120.0° |
| C22 | C23 | C24 | H28 | 119.7° | 120.0° |
| C22 | C23 | C25 | H28 | 116.9° | 120.0° |
| C22 | C23 | C24 | H29 | 180.0° | 174.7° |
| C22 | C23 | C24 | H30 | 60.0° | 65.4° |
| C22 | C23 | C24 | H31 | 60.0° | 54.7° |
| C22 | C23 | C25 | H32 | 180.0° | 60.0° |
| C22 | C23 | C25 | H33 | 60.0° | 180.0° |
| C22 | C23 | C25 | H34 | 60.0° | 60.0° |
| H26 | C22 | C23 | C24 | 45.0° | 56.5° |
| H26 | C22 | C23 | C25 | 168.3° | 63.5° |
| H26 | C22 | C23 | H28 | 74.8° | 176.4° |
| H27 | C22 | C23 | C24 | 74.5° | 176.5° |
| H27 | C22 | C23 | C25 | 48.8° | 56.5° |
| H27 | C22 | C23 | H28 | 165.7° | 63.6° |
| C24 | C23 | C25 | H28 | 116.4° | 120.0° |
| C23 | C24 | H29 | H30 | 120.0° | 119.9° |
| C23 | C24 | H29 | H31 | 120.0° | 119.9° |
| C23 | C24 | H30 | H31 | 120.0° | 120.0° |
| C24 | C23 | C25 | H32 | 53.3° | 180.0° |
| C24 | C23 | C25 | H33 | 66.7° | 60.0° |
| C24 | C23 | C25 | H34 | 173.3° | 60.0° |
| C25 | C23 | C24 | H29 | 56.0° | 54.6° |
| C25 | C23 | C24 | H30 | 176.0° | 174.6° |
| C25 | C23 | C24 | H31 | 64.0° | 65.3° |
| C23 | C25 | H32 | H33 | 120.0° | 120.0° |
| C23 | C25 | H32 | H34 | 120.0° | 120.0° |
| C23 | C25 | H33 | H34 | 120.0° | 120.0° |
| H28 | C23 | C24 | H29 | 60.3° | 65.3° |
| H28 | C23 | C24 | H30 | 59.7° | 54.6° |
| H28 | C23 | C24 | H31 | 179.7° | 174.7° |
| H28 | C23 | C25 | H32 | 63.1° | 60.0° |
| H28 | C23 | C25 | H33 | 177.0° | 60.0° |
| H28 | C23 | C25 | H34 | 57.0° | NaN° |
| H29 | C24 | H30 | H31 | 120.0° | 120.1° |
| H32 | C25 | H33 | H34 | 120.0° | 120.0° |
| O4 | C26 | C27 | H35 | 114.9° | 120.1° |
| O4 | C26 | C27 | C28 | 158.6° | 65.0° |
| O4 | C26 | C27 | H37 | 37.5° | 55.0° |
| O4 | C26 | C27 | H38 | 80.3° | 175.0° |
| C27 | C26 | O4 | H36 | 47.2° | 60.0° |
| C26 | C27 | C28 | H37 | 121.1° | 120.0° |
| C26 | C27 | C28 | H38 | 121.1° | 120.0° |
| C26 | C27 | H37 | H38 | 116.5° | 120.1° |
| C26 | C27 | C28 | O5 | 70.9° | 0.0° |
| C26 | C27 | C28 | N4 | 107.8° | 180.0° |
| H35 | C26 | O4 | H36 | 66.6° | 180.0° |
| H35 | C26 | C27 | C28 | 43.7° | 55.1° |
| H35 | C26 | C27 | H37 | 77.4° | 175.0° |
| H35 | C26 | C27 | H38 | 164.8° | 64.9° |
| C28 | C27 | H37 | H38 | 116.5° | 120.0° |
| C27 | C28 | O5 | N4 | 178.6° | 180.0° |
| C27 | C28 | N4 | C29 | 177.7° | 180.0° |
| C27 | C28 | N4 | H39 | 2.4° | 0.0° |
| H37 | C27 | C28 | O5 | 168.0° | 120.0° |
| H37 | C27 | C28 | N4 | 13.3° | 60.0° |
| H38 | C27 | C28 | O5 | 50.3° | 120.0° |
| H38 | C27 | C28 | N4 | 131.1° | 60.0° |
| O5 | C28 | N4 | C29 | 1.0° | 0.0° |
| O5 | C28 | N4 | H39 | 179.0° | 180.0° |
| C29 | N4 | H39 | C28 | 180.0° | 180.0° |
| N4 | C29 | C30 | C31 | 116.9° | 120.0° |
| N4 | C29 | C30 | H40 | 122.5° | 120.0° |
| N4 | C29 | C31 | H40 | 122.3° | 120.0° |
| N4 | C29 | C30 | O6 | 54.8° | 0.0° |
| N4 | C29 | C31 | C32 | 177.2° | 65.0° |
| N4 | C29 | C31 | H41 | 56.4° | 55.0° |
| N4 | C29 | C31 | H42 | 61.9° | 175.0° |
| N4 | C29 | C30 | N5 | 126.8° | 180.0° |
| H39 | N4 | C29 | C30 | 31.6° | 24.9° |
| H39 | N4 | C29 | C31 | 84.9° | 95.1° |
| H39 | N4 | C29 | H40 | 153.5° | 145.0° |
| C30 | C29 | C31 | H40 | 120.8° | 120.1° |
| C29 | C30 | O6 | N5 | 178.2° | 180.0° |
| C30 | C29 | C31 | C32 | 65.9° | 175.0° |
| C30 | C29 | C31 | H41 | 173.2° | 64.9° |
| C30 | C29 | C31 | H42 | 54.9° | 55.0° |
| C29 | C30 | N5 | C34 | 179.2° | 180.0° |
| C29 | C30 | N5 | H46 | 0.8° | 0.0° |
| C30 | C29 | N4 | C28 | 148.4° | 155.0° |
| C31 | C29 | C30 | O6 | 62.1° | 120.0° |
| C29 | C31 | C32 | H41 | 120.8° | 120.1° |
| C29 | C31 | C32 | H42 | 120.8° | 120.0° |
| C29 | C31 | H41 | H42 | 117.4° | 119.9° |
| C29 | C31 | C32 | C33 | 88.3° | 180.0° |
| C29 | C31 | C32 | H43 | 31.5° | 60.0° |
| C29 | C31 | C32 | H44 | 151.8° | 60.0° |
| C31 | C29 | N4 | C28 | 95.1° | 85.0° |
| C31 | C29 | C30 | N5 | 116.2° | 60.0° |
| H40 | C29 | C30 | O6 | 177.3° | 120.0° |
| H40 | C29 | C31 | C32 | 54.9° | 55.0° |
| H40 | C29 | C31 | H41 | 65.9° | 175.0° |
| H40 | C29 | C31 | H42 | 175.7° | 65.0° |
| H40 | C29 | N4 | C28 | 26.5° | 35.0° |
| H40 | C29 | C30 | N5 | 4.4° | 60.0° |
| O6 | C30 | N5 | C34 | 0.9° | 0.0° |
| O6 | C30 | N5 | H46 | 179.1° | 180.0° |
| C32 | C31 | H41 | H42 | 117.5° | 120.0° |
| C31 | C32 | C33 | H43 | 119.9° | 120.0° |
| C31 | C32 | C33 | H44 | 119.9° | 120.0° |
| C31 | C32 | H43 | H44 | 120.4° | 120.0° |
| C31 | C32 | C33 | O7 | 35.2° | 0.0° |
| C31 | C32 | C33 | O8 | 139.8° | 180.0° |
| H41 | C31 | C32 | C33 | 150.9° | 60.0° |
| H41 | C31 | C32 | H43 | 89.3° | 180.0° |
| H41 | C31 | C32 | H44 | 31.0° | 60.1° |
| H42 | C31 | C32 | C33 | 32.5° | 60.0° |
| H42 | C31 | C32 | H43 | 152.4° | 60.0° |
| H42 | C31 | C32 | H44 | 87.3° | 180.0° |
| C33 | C32 | H43 | H44 | 120.4° | 120.0° |
| C32 | C33 | O7 | O8 | 174.9° | 180.0° |
| C32 | C33 | O8 | H45 | 174.7° | 180.0° |
| H43 | C32 | C33 | O7 | 155.0° | 120.0° |
| H43 | C32 | C33 | O8 | 19.9° | 60.0° |
| H44 | C32 | C33 | O7 | 84.7° | 120.0° |
| H44 | C32 | C33 | O8 | 100.3° | 60.0° |
| O7 | C33 | O8 | H45 | 0.0° | 0.0° |
| C34 | N5 | H46 | C30 | 180.0° | 180.0° |
| N5 | C34 | C35 | C36 | 119.0° | 119.9° |
| N5 | C34 | C35 | H47 | 117.2° | 120.0° |
| N5 | C34 | C36 | H47 | 119.5° | 120.0° |
| N5 | C34 | C35 | O9 | 52.4° | 0.0° |
| N5 | C34 | C36 | C37 | 30.2° | 61.0° |
| N5 | C34 | C36 | H48 | 91.4° | 59.1° |
| N5 | C34 | C36 | H49 | 151.8° | 179.1° |
| N5 | C34 | C35 | N6 | 125.7° | 180.0° |
| H46 | N5 | C34 | C35 | 65.6° | 98.2° |
| H46 | N5 | C34 | C36 | 59.0° | 21.7° |
| H46 | N5 | C34 | H47 | 177.7° | 141.7° |
| C35 | C34 | C36 | H47 | 124.1° | 120.0° |
| C34 | C35 | O9 | N6 | 178.0° | 180.0° |
| C35 | C34 | C36 | C37 | 146.6° | 179.1° |
| C35 | C34 | C36 | H48 | 25.0° | 60.9° |
| C35 | C34 | C36 | H49 | 91.8° | 59.1° |
| C34 | C35 | N6 | H57 | 178.0° | 0.0° |
| C34 | C35 | N6 | H58 | 2.0° | 180.0° |
| C35 | C34 | N5 | C30 | 114.4° | 81.8° |
| C36 | C34 | C35 | O9 | 66.7° | 119.9° |
| C34 | C36 | C37 | H48 | 121.6° | 120.1° |
| C34 | C36 | C37 | H49 | 121.6° | 119.9° |
| C34 | C36 | H48 | H49 | 114.9° | 120.0° |
| C34 | C36 | C37 | C38 | 85.7° | 95.5° |
| C34 | C36 | C37 | C40 | 92.5° | 84.8° |
| C36 | C34 | N5 | C30 | 121.0° | 158.3° |
| C36 | C34 | C35 | N6 | 115.3° | 60.0° |
| H47 | C34 | C35 | O9 | 169.6° | 120.0° |
| H47 | C34 | C36 | C37 | 89.3° | 59.0° |
| H47 | C34 | C36 | H48 | 149.1° | 179.1° |
| H47 | C34 | C36 | H49 | 32.3° | 60.9° |
| H47 | C34 | N5 | C30 | 2.3° | 38.2° |
| H47 | C34 | C35 | N6 | 8.5° | 60.0° |
| O9 | C35 | N6 | H57 | 0.0° | 179.9° |
| O9 | C35 | N6 | H58 | 180.0° | 0.0° |
| C37 | C36 | H48 | H49 | 114.9° | 120.0° |
| C36 | C37 | C38 | C40 | 178.3° | 179.7° |
| C36 | C37 | C38 | C39 | 178.4° | 180.0° |
| C36 | C37 | C38 | H50 | 1.7° | 0.0° |
| C36 | C37 | C40 | C41 | 178.8° | 180.0° |
| C36 | C37 | C40 | C43 | 2.5° | 0.0° |
| H48 | C36 | C37 | C38 | 35.9° | 24.6° |
| H48 | C36 | C37 | C40 | 145.9° | 155.1° |
| H49 | C36 | C37 | C38 | 152.7° | 144.6° |
| H49 | C36 | C37 | C40 | 29.1° | 35.1° |
| C37 | C38 | C39 | H50 | 180.0° | 180.0° |
| C37 | C38 | C39 | C42 | 0.3° | 0.1° |
| C37 | C38 | C39 | H51 | 179.7° | 180.0° |
| C38 | C37 | C40 | C41 | 0.5° | 0.3° |
| C38 | C37 | C40 | C43 | 179.2° | 179.7° |
| C40 | C37 | C38 | C39 | 0.1° | 0.3° |
| C40 | C37 | C38 | H50 | 179.9° | 179.7° |
| C37 | C40 | C41 | C43 | 178.8° | 179.9° |
| C37 | C40 | C41 | C42 | 0.5° | 0.0° |
| C37 | C40 | C41 | C46 | 178.6° | 180.0° |
| C37 | C40 | C43 | C44 | 179.0° | 179.9° |
| C37 | C40 | C43 | H53 | 1.0° | 0.0° |
| C38 | C39 | C42 | H51 | 180.0° | 180.0° |
| C38 | C39 | C42 | C41 | 0.4° | 0.2° |
| C38 | C39 | C42 | H52 | 179.7° | 180.0° |
| H50 | C38 | C39 | C42 | 179.6° | 180.0° |
| H50 | C38 | C39 | H51 | 0.3° | 0.0° |
| C39 | C42 | C41 | C40 | 0.0° | 0.2° |
| C39 | C42 | C41 | H52 | 180.0° | 179.8° |
| C39 | C42 | C41 | C46 | 179.0° | 179.7° |
| H51 | C39 | C42 | C41 | 179.7° | 179.7° |
| H51 | C39 | C42 | H52 | 0.3° | 0.0° |
| C40 | C41 | C42 | C46 | 179.1° | 180.0° |
| C40 | C41 | C42 | H52 | 179.9° | 180.0° |
| C41 | C40 | C43 | C44 | 0.2° | 0.0° |
| C41 | C40 | C43 | H53 | 179.8° | 179.9° |
| C40 | C41 | C46 | C45 | 0.8° | 0.0° |
| C40 | C41 | C46 | H56 | 179.2° | 180.0° |
| C43 | C40 | C41 | C42 | 179.2° | 180.0° |
| C43 | C40 | C41 | C46 | 0.2° | 0.0° |
| C40 | C43 | C44 | H53 | 180.0° | 179.9° |
| C40 | C43 | C44 | C45 | 1.6° | 0.0° |
| C40 | C43 | C44 | H54 | 178.4° | 180.0° |
| C42 | C41 | C46 | C45 | 178.3° | 180.0° |
| C42 | C41 | C46 | H56 | 1.7° | 0.0° |
| C46 | C41 | C42 | H52 | 1.0° | 0.1° |
| C41 | C46 | C45 | C44 | 2.4° | 0.0° |
| C41 | C46 | C45 | H56 | 180.0° | 180.0° |
| C41 | C46 | C45 | H55 | 177.6° | 180.0° |
| C43 | C44 | C45 | H54 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 2.8° | 0.1° |
| C43 | C44 | C45 | H55 | 177.2° | 180.0° |
| H53 | C43 | C44 | C45 | 178.4° | 179.9° |
| H53 | C43 | C44 | H54 | 1.6° | 0.1° |
| C44 | C45 | C46 | H55 | 180.0° | 179.9° |
| C44 | C45 | C46 | H56 | 177.6° | 179.9° |
| H54 | C44 | C45 | C46 | 177.2° | 180.0° |
| H54 | C44 | C45 | H55 | 2.8° | 0.0° |
| H55 | C45 | C46 | H56 | 2.4° | 0.0° |
| H57 | N6 | H58 | C35 | 180.0° | 180.0° |
