PRD_002357
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 | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.35Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| N1 | C9 | sing | 1.47Å | 1.38Å | |
| F1 | C15 | sing | 1.35Å | 1.33Å | |
| F2 | C16 | sing | 1.35Å | 1.32Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| N2 | C17 | sing | 1.47Å | 1.46Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | O3 | doub | 1.21Å | 1.23Å | |
| C19 | O4 | sing | 1.45Å | 1.44Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| N3 | C20 | sing | 1.47Å | 1.43Å | |
| N3 | C24 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.49Å | 1.44Å | |
| C20 | C22 | sing | 1.54Å | 1.49Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | O5 | doub | 1.21Å | 1.20Å | |
| C22 | C23 | sing | 1.54Å | 1.48Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.54Å | 1.48Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | O6 | doub | 1.21Å | 1.21Å | |
| C25 | C26 | sing | 1.51Å | 1.47Å | |
| N4 | C26 | sing | 1.47Å | 1.36Å | |
| N4 | C29 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.48Å | |
| C27 | C30 | sing | 1.52Å | 1.51Å | |
| C28 | C29 | sing | 1.52Å | 1.50Å | |
| C28 | C30 | sing | 1.52Å | 1.46Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| N5 | C31 | sing | 1.48Å | 1.43Å | |
| N5 | H41 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.50Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | O7 | doub | 1.21Å | 1.21Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | O8 | doub | 1.21Å | 1.19Å | |
| C34 | C35 | sing | 1.50Å | 1.34Å | |
| N6 | C35 | sing | 1.46Å | 1.43Å | |
| N6 | C37 | sing | 1.46Å | 1.47Å | |
| C35 | C36 | sing | 1.53Å | 1.40Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | C39 | sing | 1.54Å | 1.48Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | C39 | sing | 1.53Å | 1.47Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.57Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.47Å | |
| C8 | N2 | sing | 1.35Å | 1.49Å | |
| O4 | C34 | sing | 1.34Å | 1.43Å | |
| C18 | N3 | sing | 1.34Å | 1.47Å | |
| C21 | N4 | sing | 1.34Å | 1.48Å | |
| C25 | N5 | sing | 1.37Å | 1.45Å | |
| C32 | N6 | sing | 1.35Å | 1.47Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 124.6° | 120.0° |
| O1 | C1 | N1 | 119.1° | 120.1° |
| C1 | C2 | C3 | 123.8° | 109.5° |
| C1 | C2 | H1 | 105.8° | 109.5° |
| C1 | C2 | H2 | 105.8° | 109.4° |
| C2 | C1 | N1 | 116.3° | 120.0° |
| C3 | C2 | H1 | 105.8° | 109.5° |
| C3 | C2 | H2 | 105.8° | 109.4° |
| C2 | C3 | C4 | 114.2° | 109.5° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| C2 | C3 | H4 | 108.3° | 109.4° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C4 | C3 | H4 | 108.3° | 109.5° |
| C3 | C4 | C5 | 111.9° | 109.5° |
| C3 | C4 | H5 | 108.9° | 109.4° |
| C3 | C4 | H6 | 108.9° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| C5 | C4 | H5 | 108.9° | 109.5° |
| C5 | C4 | H6 | 108.9° | 109.5° |
| C4 | C5 | C6 | 105.8° | 109.5° |
| C4 | C5 | H7 | 110.4° | 109.4° |
| C4 | C5 | H8 | 110.4° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| C6 | C5 | H7 | 110.4° | 109.5° |
| C6 | C5 | H8 | 110.4° | 109.5° |
| C5 | C6 | C7 | 108.1° | 109.5° |
| C5 | C6 | H9 | 109.8° | 109.5° |
| C5 | C6 | H10 | 109.8° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| C7 | C6 | H9 | 109.8° | 109.5° |
| C7 | C6 | H10 | 109.8° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.4° |
| C6 | C7 | H12 | 109.4° | 109.5° |
| C6 | C7 | H13 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H13 | 109.5° | 109.4° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| O2 | C8 | C9 | 117.4° | 119.9° |
| O2 | C8 | N2 | 120.2° | 120.0° |
| C8 | C9 | N1 | 104.3° | 109.5° |
| C8 | C9 | C10 | 112.6° | 109.5° |
| C8 | C9 | H15 | 110.0° | 109.4° |
| C9 | C8 | N2 | 122.4° | 120.0° |
| N1 | C9 | C10 | 107.3° | 109.5° |
| C9 | N1 | H14 | 122.0° | 120.0° |
| N1 | C9 | H15 | 112.3° | 109.5° |
| C9 | N1 | C1 | 116.0° | 120.0° |
| F1 | C15 | C12 | 120.7° | 120.0° |
| F1 | C15 | C13 | 118.8° | 120.0° |
| F2 | C16 | C12 | 117.3° | 120.0° |
| F2 | C16 | C14 | 120.1° | 120.0° |
| C9 | C10 | C11 | 107.5° | 109.5° |
| C10 | C9 | H15 | 110.2° | 109.5° |
| C9 | C10 | H16 | 110.0° | 109.5° |
| C9 | C10 | H17 | 110.0° | 109.5° |
| C10 | C11 | C13 | 118.4° | 119.9° |
| C10 | C11 | C14 | 121.5° | 120.0° |
| C11 | C10 | H16 | 110.0° | 109.5° |
| C11 | C10 | H17 | 109.9° | 109.5° |
| C13 | C11 | C14 | 120.1° | 120.1° |
| C11 | C13 | C15 | 121.5° | 120.0° |
| C11 | C13 | H19 | 119.3° | 120.0° |
| C11 | C14 | C16 | 117.1° | 120.0° |
| C11 | C14 | H20 | 121.4° | 120.0° |
| C15 | C12 | C16 | 118.3° | 120.0° |
| C12 | C15 | C13 | 120.5° | 120.0° |
| C15 | C12 | H18 | 120.9° | 120.0° |
| C12 | C16 | C14 | 122.6° | 120.0° |
| C16 | C12 | H18 | 120.8° | 120.0° |
| C15 | C13 | H19 | 119.3° | 120.0° |
| C16 | C14 | H20 | 121.5° | 120.0° |
| H14 | N1 | C1 | 122.0° | 120.0° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| C17 | N2 | H21 | 120.9° | 119.9° |
| N2 | C17 | C18 | 114.7° | 109.5° |
| N2 | C17 | C19 | 114.2° | 109.4° |
| N2 | C17 | H22 | 107.9° | 109.4° |
| C17 | N2 | C8 | 118.2° | 120.0° |
| H21 | N2 | C8 | 120.9° | 120.0° |
| C18 | C17 | C19 | 105.1° | 109.5° |
| C18 | C17 | H22 | 107.2° | 109.5° |
| C17 | C18 | O3 | 123.2° | 119.8° |
| C17 | C18 | N3 | 117.2° | 120.5° |
| C19 | C17 | H22 | 107.2° | 109.4° |
| C17 | C19 | O4 | 110.1° | 109.8° |
| C17 | C19 | H23 | 109.3° | 109.4° |
| C17 | C19 | H24 | 109.3° | 109.5° |
| O3 | C18 | N3 | 119.6° | 119.7° |
| O4 | C19 | H23 | 109.3° | 109.4° |
| O4 | C19 | H24 | 109.3° | 109.4° |
| C19 | O4 | C34 | 119.1° | 117.4° |
| H23 | C19 | H24 | 109.5° | 109.4° |
| C20 | N3 | C24 | 111.6° | 108.5° |
| N3 | C20 | C21 | 104.4° | 109.6° |
| N3 | C20 | C22 | 105.3° | 107.2° |
| N3 | C20 | H25 | 113.6° | 109.6° |
| C20 | N3 | C18 | 124.1° | 125.5° |
| N3 | C24 | C23 | 106.5° | 107.9° |
| N3 | C24 | H30 | 110.2° | 109.8° |
| N3 | C24 | H31 | 110.2° | 109.8° |
| C24 | N3 | C18 | 124.4° | 126.0° |
| C21 | C20 | C22 | 106.6° | 111.5° |
| C21 | C20 | H25 | 113.6° | 110.1° |
| C20 | C21 | O5 | 117.5° | 118.0° |
| C20 | C21 | N4 | 124.8° | 124.0° |
| C22 | C20 | H25 | 112.6° | 108.8° |
| C20 | C22 | C23 | 109.1° | 104.2° |
| C20 | C22 | H26 | 109.5° | 110.4° |
| C20 | C22 | H27 | 109.5° | 110.5° |
| O5 | C21 | N4 | 117.7° | 118.0° |
| C23 | C22 | H26 | 109.6° | 110.5° |
| C23 | C22 | H27 | 109.6° | 110.5° |
| C22 | C23 | C24 | 106.7° | 106.4° |
| C22 | C23 | H28 | 110.2° | 110.1° |
| C22 | C23 | H29 | 110.1° | 110.1° |
| H26 | C22 | H27 | 109.4° | 110.5° |
| C24 | C23 | H28 | 110.1° | 110.0° |
| C24 | C23 | H29 | 110.2° | 110.1° |
| C23 | C24 | H30 | 110.2° | 109.8° |
| C23 | C24 | H31 | 110.2° | 109.8° |
| H28 | C23 | H29 | 109.5° | 110.0° |
| H30 | C24 | H31 | 109.5° | 109.7° |
| O6 | C25 | C26 | 119.4° | 121.0° |
| O6 | C25 | N5 | 119.5° | 121.0° |
| C25 | C26 | N4 | 105.8° | 109.7° |
| C25 | C26 | C27 | 100.0° | 110.3° |
| C25 | C26 | H32 | 113.3° | 109.3° |
| C26 | C25 | N5 | 121.0° | 118.0° |
| C26 | N4 | C29 | 119.7° | 119.3° |
| N4 | C26 | C27 | 108.2° | 109.1° |
| N4 | C26 | H32 | 115.2° | 108.9° |
| C26 | N4 | C21 | 122.7° | 119.7° |
| N4 | C29 | C28 | 110.0° | 109.6° |
| N4 | C29 | H37 | 109.3° | 109.4° |
| N4 | C29 | H38 | 109.3° | 109.4° |
| C29 | N4 | C21 | 117.6° | 121.1° |
| C26 | C27 | C30 | 112.9° | 109.7° |
| C27 | C26 | H32 | 113.1° | 109.5° |
| C26 | C27 | H33 | 108.6° | 109.4° |
| C26 | C27 | H34 | 108.6° | 109.4° |
| C27 | C30 | C28 | 110.6° | 112.7° |
| C30 | C27 | H33 | 108.6° | 109.5° |
| C30 | C27 | H34 | 108.6° | 109.4° |
| C27 | C30 | H39 | 109.2° | 108.8° |
| C27 | C30 | H40 | 109.2° | 108.8° |
| C29 | C28 | C30 | 109.1° | 113.0° |
| C29 | C28 | H35 | 109.6° | 108.8° |
| C29 | C28 | H36 | 109.6° | 108.8° |
| C28 | C29 | H37 | 109.3° | 109.5° |
| C28 | C29 | H38 | 109.3° | 109.4° |
| C30 | C28 | H35 | 109.5° | 108.8° |
| C30 | C28 | H36 | 109.6° | 108.8° |
| C28 | C30 | H39 | 109.2° | 108.9° |
| C28 | C30 | H40 | 109.2° | 108.9° |
| H33 | C27 | H34 | 109.5° | 109.4° |
| H35 | C28 | H36 | 109.5° | 108.6° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H39 | C30 | H40 | 109.5° | 108.6° |
| C31 | N5 | H41 | 121.3° | 122.7° |
| N5 | C31 | C32 | 117.5° | 108.1° |
| N5 | C31 | C33 | 106.8° | 109.7° |
| N5 | C31 | H42 | 109.0° | 109.8° |
| C31 | N5 | C25 | 117.3° | 114.6° |
| H41 | N5 | C25 | 121.4° | 122.7° |
| C32 | C31 | C33 | 107.3° | 109.7° |
| C32 | C31 | H42 | 107.7° | 109.7° |
| C31 | C32 | O7 | 118.8° | 119.9° |
| C31 | C32 | N6 | 124.0° | 120.2° |
| C33 | C31 | H42 | 108.2° | 109.8° |
| C31 | C33 | H43 | 109.5° | 109.5° |
| C31 | C33 | H44 | 109.4° | 109.5° |
| C31 | C33 | H45 | 109.5° | 109.5° |
| O7 | C32 | N6 | 117.1° | 119.9° |
| H43 | C33 | H44 | 109.5° | 109.5° |
| H43 | C33 | H45 | 109.5° | 109.5° |
| H44 | C33 | H45 | 109.5° | 109.4° |
| O8 | C34 | C35 | 122.6° | 119.8° |
| O8 | C34 | O4 | 122.9° | 119.7° |
| C34 | C35 | N6 | 117.1° | 110.1° |
| C34 | C35 | C36 | 120.3° | 110.0° |
| C34 | C35 | H46 | 102.4° | 109.7° |
| C35 | C34 | O4 | 114.5° | 120.5° |
| C35 | N6 | C37 | 102.7° | 109.3° |
| N6 | C35 | C36 | 110.2° | 108.0° |
| N6 | C35 | H46 | 101.5° | 109.5° |
| C35 | N6 | C32 | 129.8° | 125.4° |
| N6 | C37 | C39 | 104.0° | 107.7° |
| N6 | C37 | H49 | 110.8° | 109.8° |
| N6 | C37 | H50 | 110.8° | 109.8° |
| C37 | N6 | C32 | 127.3° | 125.3° |
| C36 | C35 | H46 | 101.8° | 109.5° |
| C35 | C36 | C39 | 96.0° | 106.4° |
| C35 | C36 | H47 | 112.7° | 110.1° |
| C35 | C36 | H48 | 112.7° | 110.0° |
| C39 | C36 | H47 | 112.7° | 110.1° |
| C39 | C36 | H48 | 112.7° | 110.1° |
| C36 | C39 | C37 | 107.5° | 104.9° |
| C36 | C39 | C38 | 110.9° | 110.4° |
| C36 | C39 | H54 | 109.6° | 110.3° |
| H47 | C36 | H48 | 109.5° | 110.0° |
| C39 | C37 | H49 | 110.8° | 109.9° |
| C39 | C37 | H50 | 110.8° | 109.8° |
| C37 | C39 | C38 | 110.5° | 110.3° |
| C37 | C39 | H54 | 109.9° | 110.3° |
| H49 | C37 | H50 | 109.5° | 109.8° |
| C39 | C38 | H51 | 109.5° | 109.4° |
| C39 | C38 | H52 | 109.4° | 109.5° |
| C39 | C38 | H53 | 109.5° | 109.5° |
| C38 | C39 | H54 | 108.5° | 110.4° |
| H51 | C38 | H52 | 109.5° | 109.5° |
| H51 | C38 | H53 | 109.5° | 109.4° |
| H52 | C38 | H53 | 109.5° | 109.5° |
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 | C3 | 42.4° | 0.1° |
| O1 | C1 | C2 | H1 | 79.6° | 120.0° |
| O1 | C1 | C2 | H2 | 164.3° | 120.0° |
| O1 | C1 | N1 | C9 | 0.1° | 0.0° |
| O1 | C1 | N1 | H14 | 179.9° | 180.0° |
| C1 | C2 | C3 | H1 | 122.0° | 120.1° |
| C1 | C2 | C3 | H2 | 122.0° | 119.9° |
| C1 | C2 | H1 | H2 | 113.6° | 120.0° |
| C1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C1 | C2 | C3 | H3 | 58.9° | 59.9° |
| C1 | C2 | C3 | H4 | 59.7° | 60.0° |
| C2 | C1 | N1 | C9 | 178.6° | 179.7° |
| C2 | C1 | N1 | H14 | 1.4° | 0.3° |
| C3 | C2 | H1 | H2 | 113.5° | 119.9° |
| C2 | C3 | C4 | H3 | 120.7° | 120.1° |
| C2 | C3 | C4 | H4 | 120.7° | 120.0° |
| C2 | C3 | H3 | H4 | 117.8° | 119.9° |
| C2 | C3 | C4 | C5 | 179.5° | 180.0° |
| C2 | C3 | C4 | H5 | 60.1° | 60.0° |
| C2 | C3 | C4 | H6 | 59.1° | 60.0° |
| C3 | C2 | C1 | N1 | 139.2° | 179.8° |
| H1 | C2 | C3 | C4 | 58.4° | 60.0° |
| H1 | C2 | C3 | H3 | 179.1° | 180.0° |
| H1 | C2 | C3 | H4 | 62.3° | 60.0° |
| H1 | C2 | C1 | N1 | 98.8° | 59.7° |
| H2 | C2 | C3 | C4 | 57.7° | 60.0° |
| H2 | C2 | C3 | H3 | 63.0° | 60.0° |
| H2 | C2 | C3 | H4 | 178.4° | 180.0° |
| H2 | C2 | C1 | N1 | 17.3° | 60.3° |
| C4 | C3 | H3 | H4 | 117.8° | 120.0° |
| C3 | C4 | C5 | H5 | 120.4° | 120.0° |
| C3 | C4 | C5 | H6 | 120.4° | 120.0° |
| C3 | C4 | H5 | H6 | 118.9° | 120.0° |
| C3 | C4 | C5 | C6 | 140.4° | 180.0° |
| C3 | C4 | C5 | H7 | 100.1° | 60.0° |
| C3 | C4 | C5 | H8 | 21.0° | 60.0° |
| H3 | C3 | C4 | C5 | 58.8° | 60.0° |
| H3 | C3 | C4 | H5 | 179.2° | 180.0° |
| H3 | C3 | C4 | H6 | 61.6° | 60.1° |
| H4 | C3 | C4 | C5 | 59.8° | 60.0° |
| H4 | C3 | C4 | H5 | 60.6° | 60.0° |
| H4 | C3 | C4 | H6 | 179.8° | 180.0° |
| C5 | C4 | H5 | H6 | 118.9° | 120.0° |
| C4 | C5 | C6 | H7 | 119.4° | 119.9° |
| C4 | C5 | C6 | H8 | 119.4° | 120.0° |
| C4 | C5 | H7 | H8 | 121.7° | 120.0° |
| C4 | C5 | C6 | C7 | 140.9° | 180.0° |
| C4 | C5 | C6 | H9 | 99.3° | 60.0° |
| C4 | C5 | C6 | H10 | 21.1° | 60.0° |
| H5 | C4 | C5 | C6 | 20.1° | 60.0° |
| H5 | C4 | C5 | H7 | 139.5° | 180.0° |
| H5 | C4 | C5 | H8 | 99.4° | 60.0° |
| H6 | C4 | C5 | C6 | 99.2° | 60.0° |
| H6 | C4 | C5 | H7 | 20.2° | 60.0° |
| H6 | C4 | C5 | H8 | 141.4° | 180.0° |
| C6 | C5 | H7 | H8 | 121.7° | 120.1° |
| C5 | C6 | C7 | H9 | 119.8° | 120.0° |
| C5 | C6 | C7 | H10 | 119.8° | 120.0° |
| C5 | C6 | H9 | H10 | 120.6° | 119.9° |
| C5 | C6 | C7 | H11 | 180.0° | 60.0° |
| C5 | C6 | C7 | H12 | 60.0° | 180.0° |
| C5 | C6 | C7 | H13 | 60.0° | 59.9° |
| H7 | C5 | C6 | C7 | 21.5° | 60.0° |
| H7 | C5 | C6 | H9 | 141.2° | 179.9° |
| H7 | C5 | C6 | H10 | 98.3° | 60.0° |
| H8 | C5 | C6 | C7 | 99.7° | 60.0° |
| H8 | C5 | C6 | H9 | 20.1° | 60.0° |
| H8 | C5 | C6 | H10 | 140.5° | 180.0° |
| C7 | C6 | H9 | H10 | 120.6° | 120.0° |
| C6 | C7 | H11 | H12 | 120.0° | 120.0° |
| C6 | C7 | H11 | H13 | 120.0° | 120.0° |
| C6 | C7 | H12 | H13 | 120.0° | 120.0° |
| H9 | C6 | C7 | H11 | 60.2° | 60.0° |
| H9 | C6 | C7 | H12 | 179.8° | 60.0° |
| H9 | C6 | C7 | H13 | 59.8° | 179.9° |
| H10 | C6 | C7 | H11 | 60.2° | 180.0° |
| H10 | C6 | C7 | H12 | 59.8° | 60.0° |
| H10 | C6 | C7 | H13 | 179.8° | 60.0° |
| H11 | C7 | H12 | H13 | 120.0° | 120.0° |
| O2 | C8 | C9 | N2 | 178.1° | 180.0° |
| O2 | C8 | C9 | N1 | 98.1° | 0.0° |
| O2 | C8 | C9 | C10 | 17.9° | 120.1° |
| O2 | C8 | C9 | H15 | 141.2° | 120.0° |
| O2 | C8 | N2 | C17 | 1.5° | 0.0° |
| O2 | C8 | N2 | H21 | 178.5° | 180.0° |
| C8 | C9 | N1 | C10 | 119.7° | 120.0° |
| C8 | C9 | N1 | H15 | 119.1° | 119.9° |
| C8 | C9 | C10 | H15 | 123.2° | 119.9° |
| C8 | C9 | C10 | C11 | 170.0° | 175.0° |
| C8 | C9 | N1 | H14 | 123.7° | 25.0° |
| C8 | C9 | C10 | H16 | 70.4° | 65.0° |
| C8 | C9 | C10 | H17 | 50.3° | 54.9° |
| C9 | C8 | N2 | C17 | 179.5° | 180.0° |
| C9 | C8 | N2 | H21 | 0.4° | 0.0° |
| C8 | C9 | N1 | C1 | 56.3° | 155.0° |
| N1 | C9 | C10 | H15 | 122.6° | 120.0° |
| N1 | C9 | C10 | C11 | 75.8° | 65.0° |
| C9 | N1 | H14 | C1 | 180.0° | 180.0° |
| N1 | C9 | C10 | H16 | 43.9° | 55.0° |
| N1 | C9 | C10 | H17 | 164.5° | 175.0° |
| N1 | C9 | C8 | N2 | 80.0° | 180.0° |
| F1 | C15 | C13 | C11 | 178.8° | 180.0° |
| F1 | C15 | C12 | C13 | 179.9° | 180.0° |
| F1 | C15 | C12 | C16 | 179.5° | 179.7° |
| F1 | C15 | C12 | H18 | 0.5° | 0.0° |
| F1 | C15 | C13 | H19 | 1.2° | 0.0° |
| F2 | C16 | C14 | C11 | 179.7° | 179.7° |
| F2 | C16 | C12 | C15 | 179.9° | 180.0° |
| F2 | C16 | C12 | C14 | 179.3° | 179.7° |
| F2 | C16 | C12 | H18 | 0.1° | 0.3° |
| F2 | C16 | C14 | H20 | 0.3° | 0.3° |
| C9 | C10 | C11 | H16 | 119.7° | 120.0° |
| C9 | C10 | C11 | H17 | 119.7° | 120.0° |
| C9 | C10 | C11 | C13 | 74.6° | 90.0° |
| C9 | C10 | C11 | C14 | 104.2° | 90.3° |
| C10 | C9 | N1 | H14 | 4.0° | 95.0° |
| C9 | C10 | H16 | H17 | 121.0° | 120.0° |
| C10 | C9 | N1 | C1 | 176.0° | 85.0° |
| C10 | C9 | C8 | N2 | 164.0° | 60.0° |
| C10 | C11 | C13 | C14 | 178.9° | 179.7° |
| C10 | C11 | C13 | C15 | 178.1° | 180.0° |
| C10 | C11 | C14 | C16 | 179.2° | 180.0° |
| C11 | C10 | C9 | H15 | 46.8° | 55.0° |
| C11 | C10 | H16 | H17 | 120.9° | 120.0° |
| C10 | C11 | C13 | H19 | 2.0° | 0.1° |
| C10 | C11 | C14 | H20 | 0.8° | 0.0° |
| C11 | C13 | C15 | C12 | 1.3° | 0.0° |
| C11 | C13 | C15 | H19 | 180.0° | 180.0° |
| C13 | C11 | C14 | C16 | 0.3° | 0.3° |
| C13 | C11 | C10 | H16 | 165.7° | 30.0° |
| C13 | C11 | C10 | H17 | 45.1° | 150.0° |
| C13 | C11 | C14 | H20 | 179.7° | 179.7° |
| C11 | C14 | C16 | C12 | 1.1° | 0.0° |
| C14 | C11 | C13 | C15 | 0.8° | 0.3° |
| C11 | C14 | C16 | H20 | 180.0° | 180.0° |
| C14 | C11 | C10 | H16 | 15.5° | 149.7° |
| C14 | C11 | C10 | H17 | 136.1° | 29.7° |
| C14 | C11 | C13 | H19 | 179.1° | 179.8° |
| C15 | C12 | C16 | H18 | 180.0° | 179.7° |
| C15 | C12 | C16 | C14 | 0.6° | 0.3° |
| C12 | C15 | C13 | H19 | 178.6° | 179.9° |
| C16 | C12 | C15 | C13 | 0.6° | 0.3° |
| C12 | C16 | C14 | H20 | 178.9° | 180.0° |
| C13 | C15 | C12 | H18 | 179.4° | 180.0° |
| C14 | C16 | C12 | H18 | 179.4° | 180.0° |
| H14 | N1 | C9 | H15 | 117.3° | 145.0° |
| H15 | C9 | C10 | H16 | 166.5° | 175.1° |
| H15 | C9 | C10 | H17 | 72.9° | 65.0° |
| H15 | C9 | N1 | C1 | 62.8° | 35.0° |
| H15 | C9 | C8 | N2 | 40.7° | 60.0° |
| C17 | N2 | H21 | C8 | 180.0° | 180.0° |
| N2 | C17 | C18 | C19 | 126.3° | 120.0° |
| N2 | C17 | C18 | H22 | 119.8° | 120.0° |
| N2 | C17 | C19 | H22 | 119.5° | 119.9° |
| N2 | C17 | C18 | O3 | 28.9° | 52.3° |
| N2 | C17 | C19 | O4 | 60.8° | 62.7° |
| N2 | C17 | C19 | H23 | 59.2° | 177.2° |
| N2 | C17 | C19 | H24 | 179.1° | 57.3° |
| N2 | C17 | C18 | N3 | 152.4° | 127.6° |
| H21 | N2 | C17 | C18 | 49.6° | 25.0° |
| H21 | N2 | C17 | C19 | 71.9° | 95.1° |
| H21 | N2 | C17 | H22 | 169.0° | 145.0° |
| C18 | C17 | C19 | H22 | 113.9° | 120.0° |
| C17 | C18 | O3 | N3 | 178.7° | 179.9° |
| C18 | C17 | C19 | O4 | 172.5° | 57.3° |
| C18 | C17 | C19 | H23 | 67.4° | 62.8° |
| C18 | C17 | C19 | H24 | 52.5° | 177.4° |
| C17 | C18 | N3 | C20 | 0.7° | 172.5° |
| C17 | C18 | N3 | C24 | 179.3° | 6.7° |
| C18 | C17 | N2 | C8 | 130.4° | 155.0° |
| C19 | C17 | C18 | O3 | 97.4° | 67.7° |
| C17 | C19 | O4 | H23 | 120.1° | 120.1° |
| C17 | C19 | O4 | H24 | 120.1° | 120.1° |
| C17 | C19 | H23 | H24 | 119.7° | 119.9° |
| C19 | C17 | N2 | C8 | 108.1° | 84.9° |
| C17 | C19 | O4 | C34 | 108.5° | 162.1° |
| C19 | C17 | C18 | N3 | 81.3° | 112.4° |
| H22 | C17 | C18 | O3 | 148.7° | 172.3° |
| H22 | C17 | C19 | O4 | 58.7° | 177.4° |
| H22 | C17 | C19 | H23 | 178.8° | 57.3° |
| H22 | C17 | C19 | H24 | 61.4° | 62.6° |
| H22 | C17 | N2 | C8 | 11.0° | 35.0° |
| H22 | C17 | C18 | N3 | 32.6° | 7.6° |
| O3 | C18 | N3 | C20 | 179.5° | 7.5° |
| O3 | C18 | N3 | C24 | 0.5° | 173.2° |
| O4 | C19 | H23 | H24 | 119.7° | 119.8° |
| C19 | O4 | C34 | O8 | 6.6° | 0.5° |
| C19 | O4 | C34 | C35 | 172.7° | 179.6° |
| H23 | C19 | O4 | C34 | 131.4° | 77.8° |
| H24 | C19 | O4 | C34 | 11.5° | 42.0° |
| C20 | N3 | C24 | C18 | 180.0° | 179.3° |
| N3 | C20 | C21 | C22 | 111.1° | 118.5° |
| N3 | C20 | C21 | H25 | 124.3° | 120.6° |
| N3 | C20 | C22 | H25 | 124.3° | 118.4° |
| N3 | C20 | C21 | O5 | 18.9° | 13.0° |
| N3 | C20 | C22 | C23 | 8.6° | 23.8° |
| N3 | C20 | C22 | H26 | 111.4° | 95.0° |
| N3 | C20 | C22 | H27 | 128.5° | 142.5° |
| C20 | N3 | C24 | C23 | 1.4° | 14.5° |
| C20 | N3 | C24 | H30 | 120.9° | 105.1° |
| C20 | N3 | C24 | H31 | 118.2° | 134.1° |
| N3 | C20 | C21 | N4 | 162.3° | 167.0° |
| C24 | N3 | C20 | C21 | 116.5° | 145.3° |
| C24 | N3 | C20 | C22 | 4.4° | 24.1° |
| C24 | N3 | C20 | H25 | 119.3° | 93.8° |
| N3 | C24 | C23 | C22 | 6.6° | 0.8° |
| N3 | C24 | C23 | H30 | 119.5° | 119.6° |
| N3 | C24 | C23 | H31 | 119.5° | 119.7° |
| N3 | C24 | C23 | H28 | 126.2° | 120.1° |
| N3 | C24 | C23 | H29 | 112.9° | 118.5° |
| N3 | C24 | H30 | H31 | 121.4° | 120.8° |
| C21 | C20 | C22 | H25 | 125.2° | 121.7° |
| C20 | C21 | O5 | N4 | 178.9° | 180.0° |
| C21 | C20 | C22 | C23 | 119.1° | 143.7° |
| C21 | C20 | C22 | H26 | 0.9° | 25.0° |
| C21 | C20 | C22 | H27 | 120.9° | 97.6° |
| C20 | C21 | N4 | C26 | 1.3° | 161.4° |
| C20 | C21 | N4 | C29 | 179.8° | 19.5° |
| C21 | C20 | N3 | C18 | 63.5° | 34.0° |
| C22 | C20 | C21 | O5 | 92.2° | 131.4° |
| C20 | C22 | C23 | H26 | 120.0° | 118.7° |
| C20 | C22 | C23 | H27 | 120.0° | 118.7° |
| C20 | C22 | H26 | H27 | 120.1° | 122.5° |
| C20 | C22 | C23 | C24 | 9.5° | 14.7° |
| C20 | C22 | C23 | H28 | 129.1° | 133.9° |
| C20 | C22 | C23 | H29 | 110.1° | 104.5° |
| C22 | C20 | N3 | C18 | 175.6° | 155.2° |
| C22 | C20 | C21 | N4 | 86.6° | 48.5° |
| H25 | C20 | C21 | O5 | 143.1° | 107.6° |
| H25 | C20 | C22 | C23 | 115.7° | 94.6° |
| H25 | C20 | C22 | H26 | 124.3° | 146.6° |
| H25 | C20 | C22 | H27 | 4.3° | 24.1° |
| H25 | C20 | N3 | C18 | 60.7° | 86.9° |
| H25 | C20 | C21 | N4 | 38.1° | 72.4° |
| O5 | C21 | N4 | C26 | 179.9° | 18.6° |
| O5 | C21 | N4 | C29 | 1.0° | 160.4° |
| C23 | C22 | H26 | H27 | 120.2° | 122.7° |
| C22 | C23 | C24 | H28 | 119.6° | 119.2° |
| C22 | C23 | C24 | H29 | 119.5° | 119.3° |
| C22 | C23 | H28 | H29 | 121.3° | 121.6° |
| C22 | C23 | C24 | H30 | 126.1° | 120.4° |
| C22 | C23 | C24 | H31 | 112.9° | 118.9° |
| H26 | C22 | C23 | C24 | 110.4° | 103.9° |
| H26 | C22 | C23 | H28 | 9.1° | 15.3° |
| H26 | C22 | C23 | H29 | 130.0° | 136.8° |
| H27 | C22 | C23 | C24 | 129.5° | 133.4° |
| H27 | C22 | C23 | H28 | 111.0° | 107.4° |
| H27 | C22 | C23 | H29 | 9.9° | 14.2° |
| C24 | C23 | H28 | H29 | 121.3° | 121.5° |
| C23 | C24 | H30 | H31 | 121.4° | 120.7° |
| C23 | C24 | N3 | C18 | 178.6° | 164.9° |
| H28 | C23 | C24 | H30 | 114.3° | 120.3° |
| H28 | C23 | C24 | H31 | 6.7° | 0.4° |
| H29 | C23 | C24 | H30 | 6.6° | 1.1° |
| H29 | C23 | C24 | H31 | 127.5° | 121.8° |
| H30 | C24 | N3 | C18 | 59.1° | 75.5° |
| H31 | C24 | N3 | C18 | 61.8° | 45.2° |
| O6 | C25 | C26 | N5 | 180.0° | 180.0° |
| O6 | C25 | C26 | N4 | 158.9° | 46.4° |
| O6 | C25 | C26 | C27 | 46.6° | 73.8° |
| O6 | C25 | C26 | H32 | 74.1° | 165.8° |
| O6 | C25 | N5 | C31 | 1.4° | 4.4° |
| O6 | C25 | N5 | H41 | 178.6° | 175.5° |
| C25 | C26 | N4 | C27 | 106.4° | 121.0° |
| C25 | C26 | N4 | H32 | 126.0° | 119.6° |
| C25 | C26 | N4 | C29 | 52.1° | 131.6° |
| C25 | C26 | C27 | H32 | 120.8° | 120.3° |
| C25 | C26 | C27 | C30 | 110.8° | 179.1° |
| C25 | C26 | C27 | H33 | 9.6° | 59.1° |
| C25 | C26 | C27 | H34 | 128.7° | 60.8° |
| C26 | C25 | N5 | C31 | 178.6° | 175.6° |
| C26 | C25 | N5 | H41 | 1.5° | 4.4° |
| C25 | C26 | N4 | C21 | 126.8° | 47.5° |
| C26 | N4 | C29 | C21 | 179.0° | 179.0° |
| N4 | C26 | C27 | H32 | 128.8° | 119.1° |
| N4 | C26 | C27 | C30 | 0.4° | 58.5° |
| C26 | N4 | C29 | C28 | 51.2° | 44.2° |
| N4 | C26 | C27 | H33 | 120.0° | 61.5° |
| N4 | C26 | C27 | H34 | 120.9° | 178.6° |
| C26 | N4 | C29 | H37 | 171.3° | 164.2° |
| C26 | N4 | C29 | H38 | 68.9° | 75.8° |
| N4 | C26 | C25 | N5 | 21.1° | 133.6° |
| C29 | N4 | C26 | C27 | 54.3° | 10.6° |
| N4 | C29 | C28 | H37 | 120.1° | 120.0° |
| N4 | C29 | C28 | H38 | 120.1° | 120.0° |
| N4 | C29 | C28 | C30 | 9.1° | 51.8° |
| C29 | N4 | C26 | H32 | 178.1° | 108.8° |
| N4 | C29 | C28 | H35 | 129.0° | 69.1° |
| N4 | C29 | C28 | H36 | 110.8° | 172.7° |
| N4 | C29 | H37 | H38 | 119.8° | 119.9° |
| C26 | C27 | C30 | H33 | 120.5° | 120.0° |
| C26 | C27 | C30 | H34 | 120.5° | 120.1° |
| C26 | C27 | C30 | C28 | 55.6° | 50.1° |
| C26 | C27 | H33 | H34 | 118.5° | 119.9° |
| C26 | C27 | C30 | H39 | 175.8° | 171.0° |
| C26 | C27 | C30 | H40 | 64.6° | 70.8° |
| C27 | C26 | N4 | C21 | 126.8° | 168.4° |
| C27 | C26 | C25 | N5 | 133.4° | 106.2° |
| C27 | C30 | C28 | C29 | 57.6° | 5.4° |
| C27 | C30 | C28 | H39 | 120.2° | 120.8° |
| C27 | C30 | C28 | H40 | 120.2° | 120.9° |
| C30 | C27 | C26 | H32 | 128.4° | 60.6° |
| C30 | C27 | H33 | H34 | 118.4° | 119.9° |
| C27 | C30 | C28 | H35 | 177.6° | 115.6° |
| C27 | C30 | C28 | H36 | 62.3° | 126.3° |
| C27 | C30 | H39 | H40 | 119.5° | 118.3° |
| C29 | C28 | C30 | H35 | 119.9° | 121.0° |
| C29 | C28 | C30 | H36 | 120.0° | 120.9° |
| C29 | C28 | H35 | H36 | 120.2° | 118.3° |
| C28 | C29 | H37 | H38 | 119.8° | 119.9° |
| C29 | C28 | C30 | H39 | 177.8° | 115.5° |
| C29 | C28 | C30 | H40 | 62.6° | 126.2° |
| C28 | C29 | N4 | C21 | 129.8° | 136.8° |
| C28 | C30 | C27 | H33 | 64.8° | 69.9° |
| C28 | C30 | C27 | H34 | 176.2° | 170.1° |
| C30 | C28 | H35 | H36 | 120.2° | 118.3° |
| C30 | C28 | C29 | H37 | 110.9° | 171.8° |
| C30 | C28 | C29 | H38 | 129.2° | 68.2° |
| C28 | C30 | H39 | H40 | 119.5° | 118.5° |
| H32 | C26 | C27 | H33 | 111.2° | 179.4° |
| H32 | C26 | C27 | H34 | 7.9° | 59.5° |
| H32 | C26 | N4 | C21 | 0.9° | 72.1° |
| H32 | C26 | C25 | N5 | 106.0° | 14.2° |
| H33 | C27 | C30 | H39 | 55.3° | 51.0° |
| H33 | C27 | C30 | H40 | 175.0° | 169.2° |
| H34 | C27 | C30 | H39 | 63.7° | 69.0° |
| H34 | C27 | C30 | H40 | 56.0° | 49.2° |
| H35 | C28 | C29 | H37 | 9.0° | 50.9° |
| H35 | C28 | C29 | H38 | 110.9° | 170.9° |
| H35 | C28 | C30 | H39 | 62.3° | 123.6° |
| H35 | C28 | C30 | H40 | 57.4° | 5.3° |
| H36 | C28 | C29 | H37 | 129.1° | 67.3° |
| H36 | C28 | C29 | H38 | 9.3° | 52.7° |
| H36 | C28 | C30 | H39 | 57.8° | 5.4° |
| H36 | C28 | C30 | H40 | 177.5° | 112.9° |
| H37 | C29 | N4 | C21 | 9.7° | 16.8° |
| H38 | C29 | N4 | C21 | 110.1° | 103.2° |
| C31 | N5 | H41 | C25 | 180.0° | 180.0° |
| N5 | C31 | C32 | C33 | 120.2° | 119.6° |
| N5 | C31 | C32 | H42 | 123.5° | 119.7° |
| N5 | C31 | C33 | H42 | 117.2° | 120.7° |
| N5 | C31 | C32 | O7 | 124.5° | 4.4° |
| N5 | C31 | C33 | H43 | 180.0° | 79.2° |
| N5 | C31 | C33 | H44 | 60.0° | 160.8° |
| N5 | C31 | C33 | H45 | 60.0° | 40.9° |
| N5 | C31 | C32 | N6 | 58.4° | 175.6° |
| H41 | N5 | C31 | C32 | 50.5° | 84.7° |
| H41 | N5 | C31 | C33 | 70.1° | 155.7° |
| H41 | N5 | C31 | H42 | 173.3° | 34.9° |
| C32 | C31 | C33 | H42 | 116.0° | 120.6° |
| C31 | C32 | O7 | N6 | 177.3° | 180.0° |
| C32 | C31 | C33 | H43 | 53.2° | 39.5° |
| C32 | C31 | C33 | H44 | 173.2° | 80.6° |
| C32 | C31 | C33 | H45 | 66.8° | 159.5° |
| C31 | C32 | N6 | C35 | 3.7° | 178.6° |
| C31 | C32 | N6 | C37 | 179.9° | 1.4° |
| C32 | C31 | N5 | C25 | 129.5° | 95.4° |
| C33 | C31 | C32 | O7 | 4.3° | 124.1° |
| C31 | C33 | H43 | H44 | 120.0° | 120.0° |
| C31 | C33 | H43 | H45 | 120.0° | 120.1° |
| C31 | C33 | H44 | H45 | 120.0° | 120.0° |
| C33 | C31 | N5 | C25 | 110.0° | 24.3° |
| C33 | C31 | C32 | N6 | 178.7° | 55.9° |
| H42 | C31 | C32 | O7 | 112.0° | 115.2° |
| H42 | C31 | C33 | H43 | 62.8° | 160.1° |
| H42 | C31 | C33 | H44 | 57.2° | 40.0° |
| H42 | C31 | C33 | H45 | 177.2° | 79.9° |
| H42 | C31 | N5 | C25 | 6.7° | 145.0° |
| H42 | C31 | C32 | N6 | 65.1° | 64.8° |
| O7 | C32 | N6 | C35 | 179.2° | 1.4° |
| O7 | C32 | N6 | C37 | 2.8° | 178.6° |
| H43 | C33 | H44 | H45 | 120.0° | 120.0° |
| O8 | C34 | C35 | O4 | 179.2° | 180.0° |
| O8 | C34 | C35 | N6 | 133.5° | 109.8° |
| O8 | C34 | C35 | C36 | 88.2° | 9.1° |
| O8 | C34 | C35 | H46 | 23.5° | 129.6° |
| C34 | C35 | N6 | C36 | 142.3° | 120.1° |
| C34 | C35 | N6 | H46 | 110.5° | 120.7° |
| C34 | C35 | N6 | C37 | 108.6° | 109.7° |
| C34 | C35 | C36 | H46 | 112.0° | 120.6° |
| C34 | C35 | C36 | C39 | 96.6° | 121.9° |
| C34 | C35 | C36 | H47 | 21.1° | 2.6° |
| C34 | C35 | C36 | H48 | 145.7° | 118.9° |
| C34 | C35 | N6 | C32 | 68.5° | 70.3° |
| C35 | N6 | C37 | C32 | 177.2° | 180.0° |
| N6 | C35 | C36 | H46 | 107.1° | 119.2° |
| N6 | C35 | C36 | C39 | 44.3° | 1.8° |
| N6 | C35 | C36 | H47 | 162.0° | 117.6° |
| N6 | C35 | C36 | H48 | 73.4° | 121.0° |
| C35 | N6 | C37 | C39 | 6.2° | 18.5° |
| C35 | N6 | C37 | H49 | 125.4° | 138.2° |
| C35 | N6 | C37 | H50 | 112.9° | 101.0° |
| N6 | C35 | C34 | O4 | 47.2° | 70.2° |
| C37 | N6 | C35 | C36 | 33.7° | 10.4° |
| C37 | N6 | C35 | H46 | 140.9° | 129.6° |
| N6 | C37 | C39 | C36 | 20.5° | 18.9° |
| N6 | C37 | C39 | H49 | 119.1° | 119.6° |
| N6 | C37 | C39 | H50 | 119.1° | 119.5° |
| N6 | C37 | H49 | H50 | 122.5° | 120.9° |
| N6 | C37 | C39 | C38 | 141.6° | 100.0° |
| N6 | C37 | C39 | H54 | 98.7° | 137.8° |
| C35 | C36 | C39 | H47 | 117.7° | 119.3° |
| C35 | C36 | C39 | H48 | 117.7° | 119.2° |
| C35 | C36 | H47 | H48 | 126.3° | 121.5° |
| C35 | C36 | C39 | C37 | 38.5° | 12.4° |
| C35 | C36 | C39 | C38 | 159.3° | 106.5° |
| C35 | C36 | C39 | H54 | 80.9° | 131.3° |
| C36 | C35 | C34 | O4 | 91.1° | 170.9° |
| C36 | C35 | N6 | C32 | 149.3° | 169.6° |
| H46 | C35 | C36 | C39 | 151.4° | 117.5° |
| H46 | C35 | C36 | H47 | 90.9° | 123.2° |
| H46 | C35 | C36 | H48 | 33.7° | 1.8° |
| H46 | C35 | C34 | O4 | 157.2° | 50.4° |
| H46 | C35 | N6 | C32 | 42.0° | 50.3° |
| C39 | C36 | H47 | H48 | 126.3° | 121.5° |
| C36 | C39 | C37 | C38 | 121.1° | 118.9° |
| C36 | C39 | C37 | H54 | 119.2° | 118.8° |
| C36 | C39 | C37 | H49 | 98.6° | 138.6° |
| C36 | C39 | C37 | H50 | 139.6° | 100.6° |
| C36 | C39 | C38 | H54 | 120.4° | 122.2° |
| C36 | C39 | C38 | H51 | 180.0° | 60.0° |
| C36 | C39 | C38 | H52 | 60.0° | 180.0° |
| C36 | C39 | C38 | H53 | 60.0° | 59.9° |
| H47 | C36 | C39 | C37 | 156.2° | 106.9° |
| H47 | C36 | C39 | C38 | 82.9° | 134.2° |
| H47 | C36 | C39 | H54 | 36.8° | 12.0° |
| H48 | C36 | C39 | C37 | 79.3° | 131.6° |
| H48 | C36 | C39 | C38 | 41.6° | 12.7° |
| H48 | C36 | C39 | H54 | 161.4° | 109.5° |
| C39 | C37 | H49 | H50 | 122.6° | 120.8° |
| C37 | C39 | C38 | H54 | 120.5° | 122.2° |
| C37 | C39 | C38 | H51 | 61.0° | 55.6° |
| C37 | C39 | C38 | H52 | 179.1° | 64.5° |
| C37 | C39 | C38 | H53 | 59.1° | 175.5° |
| C39 | C37 | N6 | C32 | 176.6° | 161.4° |
| H49 | C37 | C39 | C38 | 22.5° | 19.6° |
| H49 | C37 | C39 | H54 | 142.2° | 102.6° |
| H49 | C37 | N6 | C32 | 57.5° | 41.8° |
| H50 | C37 | C39 | C38 | 99.3° | 140.5° |
| H50 | C37 | C39 | H54 | 20.4° | 18.3° |
| H50 | C37 | N6 | C32 | 64.3° | 79.1° |
| C39 | C38 | H51 | H52 | 120.0° | 120.0° |
| C39 | C38 | H51 | H53 | 120.0° | 119.9° |
| C39 | C38 | H52 | H53 | 120.0° | 120.0° |
| H51 | C38 | H52 | H53 | 120.0° | 120.0° |
| H51 | C38 | C39 | H54 | 59.5° | 177.8° |
| H52 | C38 | C39 | H54 | 60.4° | 57.8° |
| H53 | C38 | C39 | H54 | 179.5° | 62.3° |
