PRD_000117
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.47Å | |
| N1 | C4 | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| N2 | C5 | sing | 1.47Å | 1.45Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C7 | sing | 1.51Å | 1.55Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.37Å | |
| N3 | C8 | sing | 1.47Å | 1.47Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.58Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | O4 | doub | 1.21Å | 1.23Å | |
| N4 | C10 | sing | 1.46Å | 1.47Å | |
| N4 | C12 | sing | 1.47Å | 1.50Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C13 | sing | 1.51Å | 1.50Å | |
| C11 | O5 | doub | 1.22Å | 1.24Å | |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C15 | doub | 1.37Å | 1.41Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C17 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | O6 | sing | 1.36Å | 1.40Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| O6 | H23 | sing | 0.97Å | 0.95Å | |
| N5 | C19 | sing | 1.48Å | 1.46Å | |
| N5 | H24 | sing | 0.99Å | 1.00Å | |
| C19 | C20 | sing | 1.52Å | 1.56Å | |
| C19 | C21 | sing | 1.53Å | 1.57Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | O7 | doub | 1.21Å | 1.26Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| N6 | C22 | sing | 1.47Å | 1.47Å | |
| N6 | H29 | sing | 0.98Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.58Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | O8 | doub | 1.21Å | 1.24Å | |
| C23 | O10 | sing | 1.34Å | 1.25Å | |
| C24 | C25 | sing | 1.51Å | 1.57Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.40Å | 1.44Å | Aromatic |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
| C30 | O9 | sing | 1.36Å | 1.38Å | |
| O9 | H36 | sing | 0.97Å | 0.95Å | |
| O10 | H37 | sing | 0.97Å | 0.95Å | |
| C31 | O11 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | sing | 1.51Å | 1.55Å | |
| C32 | C33 | sing | 1.53Å | 1.58Å | |
| C33 | C34 | sing | 1.53Å | 1.59Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.56Å | |
| C39 | C40 | sing | 1.53Å | 1.56Å | |
| C40 | C41 | sing | 1.53Å | 1.61Å | |
| C40 | C42 | sing | 1.53Å | 1.59Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C41 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C41 | H57 | sing | 1.09Å | 1.10Å | |
| C42 | H58 | sing | 1.09Å | 1.10Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| C42 | H60 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.35Å | 1.35Å | |
| C7 | N3 | sing | 1.35Å | 1.44Å | |
| C9 | N4 | sing | 1.35Å | 1.34Å | |
| C17 | C29 | sing | 1.48Å | 1.42Å | |
| C11 | N5 | sing | 1.36Å | 1.35Å | |
| N1 | C31 | sing | 1.35Å | 1.34Å | |
| C20 | N6 | sing | 1.36Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C4 | 121.6° | 120.0° |
| N1 | C1 | C2 | 108.9° | 109.5° |
| N1 | C1 | C3 | 110.0° | 109.5° |
| N1 | C1 | H1 | 110.6° | 109.5° |
| C1 | N1 | C31 | 121.3° | 120.0° |
| N1 | C4 | H4 | 109.5° | 109.5° |
| N1 | C4 | H5 | 109.5° | 109.5° |
| N1 | C4 | H6 | 109.5° | 109.4° |
| C4 | N1 | C31 | 117.1° | 120.0° |
| C2 | C1 | C3 | 107.6° | 109.5° |
| C2 | C1 | H1 | 109.6° | 109.5° |
| C1 | C2 | O1 | 120.1° | 120.0° |
| C1 | C2 | N2 | 117.9° | 120.0° |
| C3 | C1 | H1 | 110.2° | 109.4° |
| C1 | C3 | O2 | 105.2° | 109.4° |
| C1 | C3 | H2 | 110.5° | 109.4° |
| C1 | C3 | H3 | 110.5° | 109.4° |
| O1 | C2 | N2 | 122.1° | 119.9° |
| O2 | C3 | H2 | 110.5° | 109.5° |
| O2 | C3 | H3 | 110.6° | 109.5° |
| C3 | O2 | H7 | 109.5° | 114.0° |
| H2 | C3 | H3 | 109.4° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.4° | 109.4° |
| C5 | N2 | H8 | 121.7° | 120.0° |
| N2 | C5 | C6 | 110.0° | 109.4° |
| N2 | C5 | C7 | 107.8° | 109.5° |
| N2 | C5 | H9 | 107.3° | 109.5° |
| C5 | N2 | C2 | 116.6° | 120.0° |
| H8 | N2 | C2 | 121.7° | 120.0° |
| C6 | C5 | C7 | 118.8° | 109.5° |
| C6 | C5 | H9 | 106.1° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C5 | C6 | H12 | 109.5° | 109.5° |
| C7 | C5 | H9 | 106.2° | 109.5° |
| C5 | C7 | O3 | 113.2° | 120.0° |
| C5 | C7 | N3 | 114.0° | 120.0° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H10 | C6 | H12 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.4° |
| O3 | C7 | N3 | 108.8° | 120.1° |
| C8 | N3 | H13 | 122.7° | 120.0° |
| N3 | C8 | C9 | 105.2° | 109.5° |
| N3 | C8 | H14 | 110.5° | 109.5° |
| N3 | C8 | H15 | 110.5° | 109.4° |
| C8 | N3 | C7 | 114.6° | 120.0° |
| H13 | N3 | C7 | 122.7° | 120.1° |
| C9 | C8 | H14 | 110.5° | 109.4° |
| C9 | C8 | H15 | 110.5° | 109.5° |
| C8 | C9 | O4 | 121.5° | 120.0° |
| C8 | C9 | N4 | 119.8° | 120.0° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| O4 | C9 | N4 | 118.7° | 120.0° |
| C10 | N4 | C12 | 123.4° | 120.0° |
| N4 | C10 | C11 | 111.1° | 109.7° |
| N4 | C10 | C13 | 108.9° | 110.1° |
| N4 | C10 | H16 | 110.1° | 109.1° |
| C10 | N4 | C9 | 119.7° | 120.0° |
| N4 | C12 | H17 | 109.5° | 109.4° |
| N4 | C12 | H18 | 109.5° | 109.5° |
| N4 | C12 | H19 | 109.4° | 109.5° |
| C12 | N4 | C9 | 116.8° | 120.0° |
| C11 | C10 | C13 | 107.7° | 110.3° |
| C10 | C11 | O5 | 121.4° | 118.1° |
| C11 | C10 | H16 | 109.3° | 108.6° |
| C10 | C11 | N5 | 116.5° | 118.9° |
| C10 | C13 | C14 | 122.6° | 120.4° |
| C10 | C13 | C15 | 117.4° | 120.0° |
| C13 | C10 | H16 | 109.7° | 109.1° |
| O5 | C11 | N5 | 122.0° | 123.0° |
| C14 | C13 | C15 | 120.0° | 119.6° |
| C13 | C14 | C16 | 119.3° | 119.9° |
| C13 | C14 | H20 | 120.3° | 119.9° |
| C13 | C15 | C17 | 120.1° | 121.3° |
| C13 | C15 | H21 | 120.0° | 120.7° |
| C14 | C16 | C18 | 118.8° | 120.9° |
| C16 | C14 | H20 | 120.4° | 120.3° |
| C14 | C16 | H22 | 120.6° | 119.9° |
| C15 | C17 | C18 | 119.9° | 118.9° |
| C17 | C15 | H21 | 119.9° | 118.0° |
| C15 | C17 | C29 | 116.4° | 117.1° |
| C16 | C18 | C17 | 122.0° | 119.5° |
| C16 | C18 | O6 | 120.3° | 118.9° |
| C18 | C16 | H22 | 120.6° | 119.2° |
| C17 | C18 | O6 | 117.7° | 121.6° |
| C18 | C17 | C29 | 123.7° | 124.0° |
| C18 | O6 | H23 | 109.5° | 114.0° |
| H17 | C12 | H18 | 109.4° | 109.5° |
| H17 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| C19 | N5 | H24 | 119.5° | 120.0° |
| N5 | C19 | C20 | 98.0° | 107.1° |
| N5 | C19 | C21 | 112.5° | 112.4° |
| N5 | C19 | H25 | 110.4° | 109.9° |
| C19 | N5 | C11 | 120.8° | 119.0° |
| H24 | N5 | C11 | 119.6° | 121.0° |
| C20 | C19 | C21 | 117.5° | 108.9° |
| C20 | C19 | H25 | 109.0° | 108.7° |
| C19 | C20 | O7 | 121.1° | 119.3° |
| C19 | C20 | N6 | 114.1° | 118.6° |
| C21 | C19 | H25 | 108.9° | 109.7° |
| C19 | C21 | H26 | 109.5° | 109.5° |
| C19 | C21 | H27 | 109.5° | 109.5° |
| C19 | C21 | H28 | 109.5° | 109.5° |
| O7 | C20 | N6 | 124.6° | 122.1° |
| H26 | C21 | H27 | 109.5° | 109.4° |
| H26 | C21 | H28 | 109.4° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| C22 | N6 | H29 | 117.0° | 119.6° |
| N6 | C22 | C23 | 109.5° | 110.7° |
| N6 | C22 | C24 | 111.8° | 108.6° |
| N6 | C22 | H30 | 108.5° | 109.6° |
| C22 | N6 | C20 | 125.9° | 118.8° |
| H29 | N6 | C20 | 117.1° | 121.6° |
| C23 | C22 | C24 | 112.0° | 109.4° |
| C23 | C22 | H30 | 107.8° | 109.3° |
| C22 | C23 | O8 | 117.2° | 120.0° |
| C22 | C23 | O10 | 116.7° | 120.0° |
| C24 | C22 | H30 | 107.2° | 109.2° |
| C22 | C24 | C25 | 112.0° | 110.6° |
| C22 | C24 | H31 | 108.8° | 109.3° |
| C22 | C24 | H32 | 108.9° | 109.1° |
| O8 | C23 | O10 | 126.1° | 120.0° |
| C23 | O10 | H37 | 109.5° | 117.0° |
| C25 | C24 | H31 | 108.8° | 109.4° |
| C25 | C24 | H32 | 108.8° | 109.4° |
| C24 | C25 | C26 | 122.0° | 120.3° |
| C24 | C25 | C27 | 122.7° | 120.2° |
| H31 | C24 | H32 | 109.4° | 109.1° |
| C26 | C25 | C27 | 115.3° | 119.5° |
| C25 | C26 | C28 | 122.8° | 120.1° |
| C25 | C26 | H33 | 118.6° | 119.7° |
| C25 | C27 | C29 | 124.1° | 121.1° |
| C25 | C27 | H34 | 118.0° | 120.7° |
| C28 | C26 | H33 | 118.6° | 120.2° |
| C26 | C28 | C30 | 121.8° | 120.6° |
| C26 | C28 | H35 | 119.1° | 119.9° |
| C29 | C27 | H34 | 118.0° | 118.2° |
| C27 | C29 | C30 | 119.0° | 119.0° |
| C27 | C29 | C17 | 115.7° | 117.0° |
| C30 | C28 | H35 | 119.1° | 119.5° |
| C28 | C30 | C29 | 117.1° | 119.7° |
| C28 | C30 | O9 | 121.8° | 118.9° |
| C29 | C30 | O9 | 121.0° | 121.4° |
| C30 | C29 | C17 | 125.2° | 123.9° |
| C30 | O9 | H36 | 109.5° | 114.0° |
| O11 | C31 | C32 | 118.5° | 120.0° |
| O11 | C31 | N1 | 123.4° | 120.0° |
| C31 | C32 | C33 | 109.2° | 109.5° |
| C31 | C32 | H38 | 109.5° | 109.5° |
| C31 | C32 | H39 | 109.5° | 109.5° |
| C32 | C31 | N1 | 118.1° | 120.0° |
| C32 | C33 | C34 | 112.3° | 109.5° |
| C33 | C32 | H38 | 109.5° | 109.4° |
| C33 | C32 | H39 | 109.5° | 109.5° |
| C32 | C33 | H40 | 108.8° | 109.5° |
| C32 | C33 | H41 | 108.8° | 109.5° |
| C33 | C34 | C35 | 116.1° | 109.5° |
| C34 | C33 | H40 | 108.8° | 109.5° |
| C34 | C33 | H41 | 108.8° | 109.5° |
| C33 | C34 | H42 | 107.8° | 109.4° |
| C33 | C34 | H43 | 107.8° | 109.5° |
| C34 | C35 | C36 | 111.6° | 109.5° |
| C35 | C34 | H42 | 107.8° | 109.5° |
| C35 | C34 | H43 | 107.8° | 109.5° |
| C34 | C35 | H44 | 108.9° | 109.5° |
| C34 | C35 | H45 | 108.9° | 109.5° |
| C35 | C36 | C37 | 111.2° | 109.5° |
| C36 | C35 | H44 | 108.9° | 109.4° |
| C36 | C35 | H45 | 108.9° | 109.5° |
| C35 | C36 | H46 | 109.0° | 109.4° |
| C35 | C36 | H47 | 109.0° | 109.5° |
| C36 | C37 | C38 | 110.3° | 109.5° |
| C37 | C36 | H46 | 109.0° | 109.5° |
| C37 | C36 | H47 | 109.1° | 109.5° |
| C36 | C37 | H48 | 109.3° | 109.5° |
| C36 | C37 | H49 | 109.3° | 109.5° |
| C37 | C38 | C39 | 110.8° | 109.5° |
| C38 | C37 | H48 | 109.3° | 109.4° |
| C38 | C37 | H49 | 109.3° | 109.5° |
| C37 | C38 | H50 | 109.1° | 109.4° |
| C37 | C38 | H51 | 109.1° | 109.5° |
| C38 | C39 | C40 | 115.7° | 109.5° |
| C39 | C38 | H50 | 109.1° | 109.5° |
| C39 | C38 | H51 | 109.1° | 109.5° |
| C38 | C39 | H52 | 107.9° | 109.5° |
| C38 | C39 | H53 | 107.9° | 109.5° |
| C39 | C40 | C41 | 113.1° | 109.5° |
| C39 | C40 | C42 | 114.5° | 109.5° |
| C40 | C39 | H52 | 107.9° | 109.4° |
| C40 | C39 | H53 | 107.9° | 109.5° |
| C39 | C40 | H54 | 105.8° | 109.4° |
| C41 | C40 | C42 | 111.6° | 109.5° |
| C41 | C40 | H54 | 105.3° | 109.5° |
| C40 | C41 | H55 | 109.5° | 109.5° |
| C40 | C41 | H56 | 109.5° | 109.5° |
| C40 | C41 | H57 | 109.4° | 109.5° |
| C42 | C40 | H54 | 105.5° | 109.5° |
| C40 | C42 | H58 | 109.5° | 109.5° |
| C40 | C42 | H59 | 109.4° | 109.5° |
| C40 | C42 | H60 | 109.4° | 109.5° |
| H38 | C32 | H39 | 109.5° | 109.5° |
| H40 | C33 | H41 | 109.5° | 109.5° |
| H42 | C34 | H43 | 109.4° | 109.5° |
| H44 | C35 | H45 | 109.5° | 109.5° |
| H46 | C36 | H47 | 109.5° | 109.5° |
| H48 | C37 | H49 | 109.5° | 109.5° |
| H50 | C38 | H51 | 109.4° | 109.5° |
| H52 | C39 | H53 | 109.5° | 109.5° |
| H55 | C41 | H56 | 109.4° | 109.4° |
| H55 | C41 | H57 | 109.5° | 109.5° |
| H56 | C41 | H57 | 109.5° | 109.5° |
| H58 | C42 | H59 | 109.5° | 109.4° |
| H58 | C42 | H60 | 109.5° | 109.4° |
| H59 | C42 | H60 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C4 | C31 | 179.1° | 179.7° |
| N1 | C1 | C2 | C3 | 119.2° | 120.0° |
| N1 | C1 | C2 | H1 | 121.0° | 120.0° |
| N1 | C1 | C3 | H1 | 122.1° | 120.0° |
| N1 | C1 | C2 | O1 | 60.3° | 0.0° |
| N1 | C1 | C3 | O2 | 71.8° | 64.6° |
| N1 | C1 | C3 | H2 | 168.8° | 55.4° |
| N1 | C1 | C3 | H3 | 47.5° | 175.3° |
| C1 | N1 | C4 | H4 | 180.0° | 92.2° |
| C1 | N1 | C4 | H5 | 60.0° | 147.8° |
| C1 | N1 | C4 | H6 | 60.0° | 27.8° |
| C1 | N1 | C31 | O11 | 2.1° | 0.1° |
| C1 | N1 | C31 | C32 | 177.5° | 180.0° |
| N1 | C1 | C2 | N2 | 119.1° | 180.0° |
| C4 | N1 | C1 | C2 | 52.4° | 53.8° |
| C4 | N1 | C1 | C3 | 65.3° | 66.2° |
| C4 | N1 | C1 | H1 | 172.9° | 173.8° |
| N1 | C4 | H4 | H5 | 120.0° | 120.0° |
| N1 | C4 | H4 | H6 | 120.0° | 120.0° |
| N1 | C4 | H5 | H6 | 120.0° | 119.9° |
| C4 | N1 | C31 | O11 | 178.8° | 179.7° |
| C4 | N1 | C31 | C32 | 1.6° | 0.3° |
| C2 | C1 | C3 | H1 | 119.4° | 120.0° |
| C1 | C2 | O1 | N2 | 179.4° | 180.0° |
| C2 | C1 | C3 | O2 | 169.7° | 55.4° |
| C2 | C1 | C3 | H2 | 50.4° | 175.4° |
| C2 | C1 | C3 | H3 | 71.0° | 64.6° |
| C1 | C2 | N2 | C5 | 179.8° | 180.0° |
| C1 | C2 | N2 | H8 | 0.2° | 0.1° |
| C2 | C1 | N1 | C31 | 126.6° | 125.9° |
| C3 | C1 | C2 | O1 | 58.9° | 120.0° |
| C1 | C3 | O2 | H2 | 119.3° | 119.9° |
| C1 | C3 | O2 | H3 | 119.3° | 119.9° |
| C1 | C3 | H2 | H3 | 122.0° | 119.9° |
| C1 | C3 | O2 | H7 | 180.0° | 180.0° |
| C3 | C1 | C2 | N2 | 121.7° | 60.0° |
| C3 | C1 | N1 | C31 | 115.7° | 114.1° |
| H1 | C1 | C2 | O1 | 178.7° | 120.0° |
| H1 | C1 | C3 | O2 | 50.3° | 175.4° |
| H1 | C1 | C3 | H2 | 69.0° | 64.6° |
| H1 | C1 | C3 | H3 | 169.6° | 55.4° |
| H1 | C1 | C2 | N2 | 1.9° | 59.9° |
| H1 | C1 | N1 | C31 | 6.2° | 5.9° |
| O1 | C2 | N2 | C5 | 0.8° | 0.1° |
| O1 | C2 | N2 | H8 | 179.2° | 179.9° |
| O2 | C3 | H2 | H3 | 122.0° | 120.1° |
| H2 | C3 | O2 | H7 | 60.7° | 60.1° |
| H3 | C3 | O2 | H7 | 60.7° | 60.1° |
| H4 | C4 | H5 | H6 | 120.0° | 120.0° |
| H4 | C4 | N1 | C31 | 0.9° | 87.5° |
| H5 | C4 | N1 | C31 | 120.9° | 32.6° |
| H6 | C4 | N1 | C31 | 119.1° | 152.5° |
| C5 | N2 | H8 | C2 | 180.0° | 179.9° |
| N2 | C5 | C6 | C7 | 124.9° | 120.0° |
| N2 | C5 | C6 | H9 | 115.8° | 119.9° |
| N2 | C5 | C7 | H9 | 114.7° | 120.0° |
| N2 | C5 | C6 | H10 | 180.0° | 60.0° |
| N2 | C5 | C6 | H11 | 60.0° | 60.0° |
| N2 | C5 | C6 | H12 | 60.0° | 180.0° |
| N2 | C5 | C7 | O3 | 163.9° | 0.0° |
| N2 | C5 | C7 | N3 | 38.9° | 180.0° |
| H8 | N2 | C5 | C6 | 19.3° | 95.1° |
| H8 | N2 | C5 | C7 | 111.7° | 24.9° |
| H8 | N2 | C5 | H9 | 134.3° | 145.0° |
| C6 | C5 | C7 | H9 | 119.3° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H12 | 120.0° | 120.0° |
| C5 | C6 | H11 | H12 | 120.0° | 120.0° |
| C6 | C5 | C7 | O3 | 38.0° | 120.0° |
| C6 | C5 | N2 | C2 | 160.7° | 85.0° |
| C6 | C5 | C7 | N3 | 87.1° | 60.0° |
| C7 | C5 | C6 | H10 | 55.1° | 60.0° |
| C7 | C5 | C6 | H11 | 64.8° | 180.0° |
| C7 | C5 | C6 | H12 | 175.1° | 60.0° |
| C5 | C7 | O3 | N3 | 127.8° | 180.0° |
| C5 | C7 | N3 | C8 | 173.8° | 180.0° |
| C5 | C7 | N3 | H13 | 6.2° | 0.0° |
| C7 | C5 | N2 | C2 | 68.3° | 155.0° |
| H9 | C5 | C6 | H10 | 64.2° | 180.0° |
| H9 | C5 | C6 | H11 | 175.8° | 59.9° |
| H9 | C5 | C6 | H12 | 55.8° | 60.0° |
| H9 | C5 | C7 | O3 | 81.3° | 120.0° |
| H9 | C5 | N2 | C2 | 45.7° | 34.9° |
| H9 | C5 | C7 | N3 | 153.6° | 60.0° |
| H10 | C6 | H11 | H12 | 120.0° | 120.0° |
| O3 | C7 | N3 | C8 | 46.4° | 0.0° |
| O3 | C7 | N3 | H13 | 133.6° | 180.0° |
| C8 | N3 | H13 | C7 | 180.0° | 180.0° |
| N3 | C8 | C9 | H14 | 119.3° | 120.0° |
| N3 | C8 | C9 | H15 | 119.3° | 120.0° |
| N3 | C8 | H14 | H15 | 122.0° | 120.0° |
| N3 | C8 | C9 | O4 | 8.2° | 0.0° |
| N3 | C8 | C9 | N4 | 171.9° | 180.0° |
| H13 | N3 | C8 | C9 | 82.4° | 0.0° |
| H13 | N3 | C8 | H14 | 158.3° | 120.0° |
| H13 | N3 | C8 | H15 | 37.0° | 120.0° |
| C9 | C8 | H14 | H15 | 122.0° | 120.0° |
| C8 | C9 | O4 | N4 | 180.0° | 180.0° |
| C8 | C9 | N4 | C10 | 179.7° | 180.0° |
| C8 | C9 | N4 | C12 | 3.7° | 0.1° |
| C9 | C8 | N3 | C7 | 97.7° | 180.0° |
| H14 | C8 | C9 | O4 | 127.5° | 120.0° |
| H14 | C8 | N3 | C7 | 21.7° | 60.0° |
| H14 | C8 | C9 | N4 | 52.5° | 60.0° |
| H15 | C8 | C9 | O4 | 111.1° | 120.0° |
| H15 | C8 | N3 | C7 | 143.0° | 60.0° |
| H15 | C8 | C9 | N4 | 68.8° | 60.0° |
| O4 | C9 | N4 | C10 | 0.3° | 0.1° |
| O4 | C9 | N4 | C12 | 176.2° | 180.0° |
| C10 | N4 | C12 | C9 | 176.4° | 179.9° |
| N4 | C10 | C11 | C13 | 119.1° | 121.4° |
| N4 | C10 | C11 | H16 | 121.7° | 119.1° |
| N4 | C10 | C13 | H16 | 120.6° | 119.6° |
| N4 | C10 | C11 | O5 | 22.2° | 124.6° |
| N4 | C10 | C13 | C14 | 71.7° | 103.3° |
| N4 | C10 | C13 | C15 | 109.7° | 75.8° |
| C10 | N4 | C12 | H17 | 180.0° | 90.0° |
| C10 | N4 | C12 | H18 | 60.0° | 29.9° |
| C10 | N4 | C12 | H19 | 60.0° | 149.9° |
| N4 | C10 | C11 | N5 | 157.7° | 53.1° |
| C12 | N4 | C10 | C11 | 86.0° | 60.0° |
| C12 | N4 | C10 | C13 | 32.4° | 61.5° |
| C12 | N4 | C10 | H16 | 152.7° | 178.9° |
| N4 | C12 | H17 | H18 | 120.0° | 120.0° |
| N4 | C12 | H17 | H19 | 120.0° | 120.0° |
| N4 | C12 | H18 | H19 | 120.0° | 120.0° |
| C11 | C10 | C13 | H16 | 118.9° | 119.2° |
| C10 | C11 | O5 | N5 | 179.9° | 177.6° |
| C11 | C10 | C13 | C14 | 167.8° | 135.6° |
| C11 | C10 | C13 | C15 | 10.9° | 45.3° |
| C10 | C11 | N5 | C19 | 178.0° | 176.2° |
| C10 | C11 | N5 | H24 | 2.0° | 6.0° |
| C11 | C10 | N4 | C9 | 90.3° | 120.0° |
| C13 | C10 | C11 | O5 | 96.9° | 114.0° |
| C10 | C13 | C14 | C15 | 178.6° | 179.1° |
| C10 | C13 | C14 | C16 | 180.0° | 179.7° |
| C10 | C13 | C15 | C17 | 179.2° | 179.2° |
| C10 | C13 | C14 | H20 | 0.0° | 0.0° |
| C10 | C13 | C15 | H21 | 0.9° | 0.5° |
| C13 | C10 | N4 | C9 | 151.3° | 118.4° |
| C13 | C10 | C11 | N5 | 83.2° | 68.3° |
| O5 | C11 | C10 | H16 | 144.0° | 5.5° |
| O5 | C11 | N5 | C19 | 2.1° | 6.2° |
| O5 | C11 | N5 | H24 | 177.9° | 171.6° |
| C13 | C14 | C16 | H20 | 180.0° | 179.7° |
| C14 | C13 | C15 | C17 | 0.4° | 0.1° |
| C13 | C14 | C16 | C18 | 1.4° | 0.2° |
| C14 | C13 | C10 | H16 | 48.9° | 16.4° |
| C14 | C13 | C15 | H21 | 179.6° | 179.6° |
| C13 | C14 | C16 | H22 | 178.5° | 179.9° |
| C15 | C13 | C14 | C16 | 1.4° | 0.6° |
| C13 | C15 | C17 | H21 | 180.0° | 179.7° |
| C13 | C15 | C17 | C18 | 0.4° | 0.8° |
| C15 | C13 | C10 | H16 | 129.7° | 164.5° |
| C15 | C13 | C14 | H20 | 178.6° | 179.1° |
| C13 | C15 | C17 | C29 | 176.4° | 178.8° |
| C14 | C16 | C18 | H22 | 180.0° | 179.7° |
| C14 | C16 | C18 | C17 | 0.6° | 0.7° |
| C14 | C16 | C18 | O6 | 177.2° | 177.6° |
| C15 | C17 | C18 | C16 | 0.3° | 1.2° |
| C15 | C17 | C18 | C29 | 176.6° | 177.8° |
| C15 | C17 | C18 | O6 | 178.2° | 177.0° |
| C15 | C17 | C29 | C27 | 44.3° | 32.4° |
| C15 | C17 | C29 | C30 | 132.0° | 144.7° |
| C16 | C18 | C17 | O6 | 177.9° | 178.3° |
| C18 | C16 | C14 | H20 | 178.6° | 179.5° |
| C16 | C18 | O6 | H23 | 180.0° | 94.8° |
| C16 | C18 | C17 | C29 | 176.3° | 179.1° |
| C18 | C17 | C15 | H21 | 179.6° | 179.4° |
| C17 | C18 | C16 | H22 | 179.4° | 178.9° |
| C17 | C18 | O6 | H23 | 2.1° | 83.5° |
| C18 | C17 | C29 | C27 | 132.3° | 145.5° |
| C18 | C17 | C29 | C30 | 51.3° | 37.5° |
| O6 | C18 | C16 | H22 | 2.8° | 2.7° |
| O6 | C18 | C17 | C29 | 1.6° | 0.8° |
| H16 | C10 | N4 | C9 | 31.0° | 1.2° |
| H16 | C10 | C11 | N5 | 35.9° | 172.2° |
| H17 | C12 | H18 | H19 | 120.0° | 120.0° |
| H17 | C12 | N4 | C9 | 3.6° | 90.0° |
| H18 | C12 | N4 | C9 | 116.4° | 150.0° |
| H19 | C12 | N4 | C9 | 123.6° | 30.0° |
| H20 | C14 | C16 | H22 | 1.4° | 0.1° |
| H21 | C15 | C17 | C29 | 3.6° | 1.5° |
| C19 | N5 | H24 | C11 | 180.0° | 177.8° |
| N5 | C19 | C20 | C21 | 120.7° | 121.8° |
| N5 | C19 | C20 | H25 | 114.9° | 118.7° |
| N5 | C19 | C21 | H25 | 122.7° | 122.6° |
| N5 | C19 | C20 | O7 | 56.5° | 105.9° |
| N5 | C19 | C21 | H26 | 180.0° | 60.0° |
| N5 | C19 | C21 | H27 | 60.0° | 180.0° |
| N5 | C19 | C21 | H28 | 60.0° | 60.0° |
| N5 | C19 | C20 | N6 | 118.9° | 75.1° |
| H24 | N5 | C19 | C20 | 48.2° | 16.6° |
| H24 | N5 | C19 | C21 | 76.2° | 136.2° |
| H24 | N5 | C19 | H25 | 162.0° | 101.3° |
| C20 | C19 | C21 | H25 | 124.5° | 118.9° |
| C19 | C20 | O7 | N6 | 174.9° | 179.0° |
| C20 | C19 | C21 | H26 | 67.2° | 58.5° |
| C20 | C19 | C21 | H27 | 172.7° | 61.4° |
| C20 | C19 | C21 | H28 | 52.7° | 178.5° |
| C19 | C20 | N6 | C22 | 176.8° | 167.1° |
| C19 | C20 | N6 | H29 | 3.2° | 14.8° |
| C20 | C19 | N5 | C11 | 131.8° | 165.6° |
| C21 | C19 | C20 | O7 | 64.2° | 132.3° |
| C19 | C21 | H26 | H27 | 120.0° | 120.0° |
| C19 | C21 | H26 | H28 | 120.0° | 120.0° |
| C19 | C21 | H27 | H28 | 120.0° | 120.0° |
| C21 | C19 | N5 | C11 | 103.8° | 46.0° |
| C21 | C19 | C20 | N6 | 120.5° | 46.7° |
| H25 | C19 | C20 | O7 | 171.4° | 12.8° |
| H25 | C19 | C21 | H26 | 57.3° | 177.4° |
| H25 | C19 | C21 | H27 | 62.8° | 57.4° |
| H25 | C19 | C21 | H28 | 177.3° | 62.6° |
| H25 | C19 | N5 | C11 | 18.0° | 76.5° |
| H25 | C19 | C20 | N6 | 4.0° | 166.2° |
| O7 | C20 | N6 | C22 | 1.6° | 13.9° |
| O7 | C20 | N6 | H29 | 178.4° | 164.2° |
| H26 | C21 | H27 | H28 | 120.0° | 120.0° |
| C22 | N6 | H29 | C20 | 180.0° | 178.1° |
| N6 | C22 | C23 | C24 | 124.5° | 119.7° |
| N6 | C22 | C23 | H30 | 117.9° | 120.8° |
| N6 | C22 | C24 | H30 | 118.8° | 119.4° |
| N6 | C22 | C23 | O8 | 142.4° | 20.0° |
| N6 | C22 | C23 | O10 | 37.8° | 160.0° |
| N6 | C22 | C24 | C25 | 68.6° | 74.0° |
| N6 | C22 | C24 | H31 | 51.8° | 165.6° |
| N6 | C22 | C24 | H32 | 171.0° | 46.4° |
| H29 | N6 | C22 | C23 | 101.2° | 122.9° |
| H29 | N6 | C22 | C24 | 23.5° | 2.7° |
| H29 | N6 | C22 | H30 | 141.5° | 116.5° |
| C23 | C22 | C24 | H30 | 118.0° | 119.6° |
| C22 | C23 | O8 | O10 | 179.8° | 179.9° |
| C23 | C22 | C24 | C25 | 168.2° | 47.1° |
| C23 | C22 | C24 | H31 | 71.4° | 73.4° |
| C23 | C22 | C24 | H32 | 47.8° | 167.4° |
| C22 | C23 | O10 | H37 | 179.8° | 180.0° |
| C23 | C22 | N6 | C20 | 78.9° | 59.0° |
| C24 | C22 | C23 | O8 | 93.1° | 99.8° |
| C24 | C22 | C23 | O10 | 86.7° | 80.3° |
| C22 | C24 | C25 | H31 | 120.4° | 120.4° |
| C22 | C24 | C25 | H32 | 120.4° | 120.2° |
| C22 | C24 | H31 | H32 | 118.8° | 119.2° |
| C22 | C24 | C25 | C26 | 171.5° | 130.6° |
| C22 | C24 | C25 | C27 | 8.9° | 50.1° |
| C24 | C22 | N6 | C20 | 156.5° | 179.1° |
| H30 | C22 | C23 | O8 | 24.5° | 140.8° |
| H30 | C22 | C23 | O10 | 155.7° | 39.2° |
| H30 | C22 | C24 | C25 | 50.2° | 166.6° |
| H30 | C22 | C24 | H31 | 170.6° | 46.2° |
| H30 | C22 | C24 | H32 | 70.2° | 73.0° |
| H30 | C22 | N6 | C20 | 38.5° | 61.7° |
| O8 | C23 | O10 | H37 | 0.0° | 0.0° |
| C25 | C24 | H31 | H32 | 118.8° | 119.6° |
| C24 | C25 | C26 | C27 | 179.6° | 179.4° |
| C24 | C25 | C26 | C28 | 178.3° | 178.8° |
| C24 | C25 | C26 | H33 | 1.7° | 1.3° |
| C24 | C25 | C27 | C29 | 178.0° | 179.8° |
| C24 | C25 | C27 | H34 | 2.0° | 0.9° |
| H31 | C24 | C25 | C26 | 68.1° | 10.2° |
| H31 | C24 | C25 | C27 | 111.5° | 170.5° |
| H32 | C24 | C25 | C26 | 51.1° | 109.3° |
| H32 | C24 | C25 | C27 | 129.3° | 70.1° |
| C25 | C26 | C28 | H33 | 180.0° | 179.8° |
| C26 | C25 | C27 | C29 | 2.4° | 0.8° |
| C26 | C25 | C27 | H34 | 177.6° | 178.4° |
| C25 | C26 | C28 | C30 | 1.4° | 0.3° |
| C25 | C26 | C28 | H35 | 178.6° | 179.4° |
| C27 | C25 | C26 | C28 | 2.1° | 1.8° |
| C27 | C25 | C26 | H33 | 177.9° | 178.0° |
| C25 | C27 | C29 | H34 | 180.0° | 179.2° |
| C25 | C27 | C29 | C30 | 1.8° | 1.7° |
| C25 | C27 | C29 | C17 | 178.4° | 178.9° |
| C26 | C28 | C30 | H35 | 180.0° | 179.7° |
| C26 | C28 | C30 | C29 | 0.6° | 2.3° |
| C26 | C28 | C30 | O9 | 176.1° | 175.8° |
| H33 | C26 | C28 | C30 | 178.6° | 179.6° |
| H33 | C26 | C28 | H35 | 1.4° | 0.7° |
| C27 | C29 | C30 | C28 | 0.8° | 3.2° |
| C27 | C29 | C30 | C17 | 176.2° | 177.0° |
| C27 | C29 | C30 | O9 | 175.9° | 174.8° |
| H34 | C27 | C29 | C30 | 178.1° | 179.0° |
| H34 | C27 | C29 | C17 | 1.6° | 1.8° |
| C28 | C30 | C29 | O9 | 176.8° | 178.0° |
| C28 | C30 | O9 | H36 | 180.0° | 83.9° |
| C28 | C30 | C29 | C17 | 177.1° | 179.8° |
| H35 | C28 | C30 | C29 | 179.3° | 178.0° |
| H35 | C28 | C30 | O9 | 3.9° | 3.9° |
| C29 | C30 | O9 | H36 | 3.4° | 98.1° |
| O9 | C30 | C29 | C17 | 0.3° | 2.2° |
| O11 | C31 | C32 | N1 | 179.6° | 180.0° |
| O11 | C31 | C32 | C33 | 79.6° | 0.0° |
| O11 | C31 | C32 | H38 | 40.3° | 120.0° |
| O11 | C31 | C32 | H39 | 160.4° | 120.0° |
| C31 | C32 | C33 | H38 | 120.0° | 120.0° |
| C31 | C32 | C33 | H39 | 120.0° | 120.0° |
| C31 | C32 | C33 | C34 | 43.2° | 180.0° |
| C31 | C32 | H38 | H39 | 120.1° | 120.0° |
| C31 | C32 | C33 | H40 | 77.3° | 60.0° |
| C31 | C32 | C33 | H41 | 163.6° | 60.0° |
| C32 | C33 | C34 | H40 | 120.4° | 120.0° |
| C32 | C33 | C34 | H41 | 120.4° | 120.0° |
| C32 | C33 | C34 | C35 | 173.9° | 180.0° |
| C33 | C32 | H38 | H39 | 120.1° | 120.0° |
| C32 | C33 | H40 | H41 | 118.7° | 120.0° |
| C32 | C33 | C34 | H42 | 52.9° | 60.0° |
| C32 | C33 | C34 | H43 | 65.1° | 60.0° |
| C33 | C32 | C31 | N1 | 100.0° | 180.0° |
| C33 | C34 | C35 | H42 | 121.0° | 119.9° |
| C33 | C34 | C35 | H43 | 121.0° | 120.0° |
| C33 | C34 | C35 | C36 | 176.7° | 180.0° |
| C34 | C33 | C32 | H38 | 163.1° | 60.0° |
| C34 | C33 | C32 | H39 | 76.8° | 60.0° |
| C34 | C33 | H40 | H41 | 118.7° | 120.0° |
| C33 | C34 | H42 | H43 | 117.0° | 120.0° |
| C33 | C34 | C35 | H44 | 56.4° | 60.1° |
| C33 | C34 | C35 | H45 | 62.9° | 60.0° |
| C34 | C35 | C36 | H44 | 120.3° | 120.0° |
| C34 | C35 | C36 | H45 | 120.3° | 120.1° |
| C34 | C35 | C36 | C37 | 59.4° | 180.0° |
| C35 | C34 | C33 | H40 | 65.7° | 60.0° |
| C35 | C34 | C33 | H41 | 53.5° | 60.0° |
| C35 | C34 | H42 | H43 | 117.0° | 120.1° |
| C34 | C35 | H44 | H45 | 119.0° | 120.1° |
| C34 | C35 | C36 | H46 | 60.8° | 60.0° |
| C34 | C35 | C36 | H47 | 179.7° | 60.0° |
| C35 | C36 | C37 | H46 | 120.2° | 120.0° |
| C35 | C36 | C37 | H47 | 120.3° | 120.0° |
| C35 | C36 | C37 | C38 | 178.3° | 180.0° |
| C36 | C35 | C34 | H42 | 62.3° | 60.1° |
| C36 | C35 | C34 | H43 | 55.8° | 60.0° |
| C36 | C35 | H44 | H45 | 119.0° | 120.0° |
| C35 | C36 | H46 | H47 | 119.2° | 120.0° |
| C35 | C36 | C37 | H48 | 61.5° | 60.0° |
| C35 | C36 | C37 | H49 | 58.2° | 60.0° |
| C36 | C37 | C38 | H48 | 120.1° | 120.0° |
| C36 | C37 | C38 | H49 | 120.1° | 120.0° |
| C36 | C37 | C38 | C39 | 157.1° | 180.0° |
| C37 | C36 | C35 | H44 | 179.8° | 60.0° |
| C37 | C36 | C35 | H45 | 60.9° | 60.0° |
| C37 | C36 | H46 | H47 | 119.3° | 120.0° |
| C36 | C37 | H48 | H49 | 119.6° | 120.0° |
| C36 | C37 | C38 | H50 | 82.6° | 60.0° |
| C36 | C37 | C38 | H51 | 36.9° | 60.0° |
| C37 | C38 | C39 | H50 | 120.2° | 120.0° |
| C37 | C38 | C39 | H51 | 120.2° | 120.0° |
| C37 | C38 | C39 | C40 | 148.5° | 180.0° |
| C38 | C37 | C36 | H46 | 58.1° | 60.0° |
| C38 | C37 | C36 | H47 | 61.4° | 60.0° |
| C38 | C37 | H48 | H49 | 119.6° | 120.0° |
| C37 | C38 | H50 | H51 | 119.4° | 120.0° |
| C37 | C38 | C39 | H52 | 90.6° | 60.0° |
| C37 | C38 | C39 | H53 | 27.6° | 60.0° |
| C38 | C39 | C40 | H52 | 120.9° | 120.0° |
| C38 | C39 | C40 | H53 | 120.9° | 120.0° |
| C38 | C39 | C40 | C41 | 86.9° | 65.0° |
| C38 | C39 | C40 | C42 | 42.5° | 175.0° |
| C39 | C38 | C37 | H48 | 37.0° | 60.0° |
| C39 | C38 | C37 | H49 | 82.8° | 60.0° |
| C39 | C38 | H50 | H51 | 119.4° | 120.0° |
| C38 | C39 | H52 | H53 | 117.1° | 120.0° |
| C38 | C39 | C40 | H54 | 158.3° | 55.0° |
| C39 | C40 | C41 | C42 | 130.8° | 120.0° |
| C39 | C40 | C41 | H54 | 115.1° | 120.0° |
| C39 | C40 | C42 | H54 | 116.0° | 120.0° |
| C40 | C39 | C38 | H50 | 28.3° | 60.0° |
| C40 | C39 | C38 | H51 | 91.3° | 60.0° |
| C40 | C39 | H52 | H53 | 117.2° | 120.0° |
| C39 | C40 | C41 | H55 | 180.0° | 60.0° |
| C39 | C40 | C41 | H56 | 60.0° | 60.0° |
| C39 | C40 | C41 | H57 | 60.0° | 180.0° |
| C39 | C40 | C42 | H58 | 180.0° | 60.0° |
| C39 | C40 | C42 | H59 | 60.0° | 180.0° |
| C39 | C40 | C42 | H60 | 60.0° | 60.0° |
| C41 | C40 | C42 | H54 | 113.9° | 120.0° |
| C41 | C40 | C39 | H52 | 152.2° | 55.0° |
| C41 | C40 | C39 | H53 | 34.0° | 175.0° |
| C40 | C41 | H55 | H56 | 120.0° | 120.0° |
| C40 | C41 | H55 | H57 | 120.0° | 120.1° |
| C40 | C41 | H56 | H57 | 120.0° | 120.1° |
| C41 | C40 | C42 | H58 | 49.9° | 180.0° |
| C41 | C40 | C42 | H59 | 70.1° | 60.0° |
| C41 | C40 | C42 | H60 | 169.9° | 60.0° |
| C42 | C40 | C39 | H52 | 78.4° | 65.0° |
| C42 | C40 | C39 | H53 | 163.4° | 55.0° |
| C42 | C40 | C41 | H55 | 49.2° | 180.0° |
| C42 | C40 | C41 | H56 | 169.1° | 60.1° |
| C42 | C40 | C41 | H57 | 70.9° | 60.0° |
| C40 | C42 | H58 | H59 | 120.0° | 120.0° |
| C40 | C42 | H58 | H60 | 120.0° | 120.0° |
| C40 | C42 | H59 | H60 | 120.0° | 120.0° |
| H38 | C32 | C33 | H40 | 42.7° | 180.0° |
| H38 | C32 | C33 | H41 | 76.4° | 60.0° |
| H38 | C32 | C31 | N1 | 140.1° | 60.0° |
| H39 | C32 | C33 | H40 | 162.8° | 60.0° |
| H39 | C32 | C33 | H41 | 43.6° | NaN° |
| H39 | C32 | C31 | N1 | 20.0° | 60.0° |
| H40 | C33 | C34 | H42 | 173.3° | 180.0° |
| H40 | C33 | C34 | H43 | 55.3° | 60.1° |
| H41 | C33 | C34 | H42 | 67.5° | 60.0° |
| H41 | C33 | C34 | H43 | 174.5° | 180.0° |
| H42 | C34 | C35 | H44 | 177.4° | 180.0° |
| H42 | C34 | C35 | H45 | 58.1° | 60.0° |
| H43 | C34 | C35 | H44 | 64.6° | 60.0° |
| H43 | C34 | C35 | H45 | 176.1° | 180.0° |
| H44 | C35 | C36 | H46 | 59.5° | 180.0° |
| H44 | C35 | C36 | H47 | 60.0° | 60.0° |
| H45 | C35 | C36 | H46 | 178.9° | 60.0° |
| H45 | C35 | C36 | H47 | 59.4° | 180.0° |
| H46 | C36 | C37 | H48 | 178.3° | 180.0° |
| H46 | C36 | C37 | H49 | 62.0° | 60.0° |
| H47 | C36 | C37 | H48 | 58.8° | 60.0° |
| H47 | C36 | C37 | H49 | 178.5° | 180.0° |
| H48 | C37 | C38 | H50 | 157.2° | 180.0° |
| H48 | C37 | C38 | H51 | 83.2° | 60.0° |
| H49 | C37 | C38 | H50 | 37.5° | 60.0° |
| H49 | C37 | C38 | H51 | 157.0° | 180.0° |
| H50 | C38 | C39 | H52 | 149.2° | 180.0° |
| H50 | C38 | C39 | H53 | 92.6° | 60.0° |
| H51 | C38 | C39 | H52 | 29.7° | 60.0° |
| H51 | C38 | C39 | H53 | 147.8° | 180.0° |
| H52 | C39 | C40 | H54 | 37.4° | 175.0° |
| H53 | C39 | C40 | H54 | 80.8° | 65.0° |
| H54 | C40 | C41 | H55 | 64.9° | 60.0° |
| H54 | C40 | C41 | H56 | 55.1° | 179.9° |
| H54 | C40 | C41 | H57 | 175.1° | 60.0° |
| H54 | C40 | C42 | H58 | 64.0° | 60.0° |
| H54 | C40 | C42 | H59 | 176.0° | 60.0° |
| H54 | C40 | C42 | H60 | 56.0° | 180.0° |
| H55 | C41 | H56 | H57 | 120.0° | 120.0° |
| H58 | C42 | H59 | H60 | 120.0° | 120.0° |
