PRD_002111
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| C1 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | doub | 1.33Å | 1.31Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| N1 | C10 | sing | 1.46Å | 1.45Å | |
| F1 | C16 | sing | 1.35Å | 1.36Å | |
| F2 | C17 | sing | 1.35Å | 1.36Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| N2 | C18 | sing | 1.47Å | 1.45Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | O3 | doub | 1.22Å | 1.22Å | |
| C20 | O4 | sing | 1.45Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| N3 | C22 | sing | 1.46Å | 1.47Å | |
| N3 | C26 | sing | 1.46Å | 1.47Å | |
| C22 | C23 | sing | 1.49Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | H27 | sing | 1.11Å | 1.10Å | |
| C23 | O5 | doub | 1.22Å | 1.22Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.10Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| N4 | C27 | sing | 1.48Å | 1.47Å | |
| N4 | C33 | sing | 1.46Å | 1.47Å | |
| O6 | C28 | doub | 1.21Å | 1.23Å | |
| C27 | C29 | sing | 1.52Å | 1.53Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.08Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| N5 | C34 | sing | 1.48Å | 1.46Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.50Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | H46 | sing | 1.10Å | 1.10Å | |
| C35 | O7 | doub | 1.23Å | 1.22Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| N6 | C37 | sing | 1.47Å | 1.46Å | |
| N6 | C41 | sing | 1.46Å | 1.47Å | |
| C37 | C38 | sing | 1.51Å | 1.52Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | O8 | doub | 1.21Å | 1.20Å | |
| C39 | C40 | sing | 1.54Å | 1.52Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | 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 | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C9 | N2 | sing | 1.35Å | 1.34Å | |
| O4 | C38 | sing | 1.34Å | 1.34Å | |
| C19 | N3 | sing | 1.35Å | 1.35Å | |
| C23 | N4 | sing | 1.34Å | 1.35Å | |
| C28 | N5 | sing | 1.35Å | 1.34Å | |
| C35 | N6 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 123.1° | 120.0° |
| O1 | C1 | N1 | 121.9° | 120.0° |
| C1 | C2 | C3 | 121.0° | 120.0° |
| C1 | C2 | H1 | 119.5° | 120.1° |
| C2 | C1 | N1 | 115.0° | 120.0° |
| C2 | C3 | C4 | 124.2° | 120.0° |
| C3 | C2 | H1 | 119.5° | 120.0° |
| C2 | C3 | H2 | 117.9° | 120.0° |
| C3 | C4 | C5 | 112.9° | 109.4° |
| C4 | C3 | H2 | 117.9° | 120.0° |
| C3 | C4 | H3 | 108.6° | 109.5° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| C4 | C5 | C6 | 110.0° | 109.4° |
| C4 | C5 | C7 | 110.7° | 109.5° |
| C5 | C4 | H3 | 108.6° | 109.5° |
| C5 | C4 | H4 | 108.6° | 109.4° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C6 | C5 | C7 | 111.4° | 109.4° |
| C6 | C5 | H5 | 108.0° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.4° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C7 | C8 | 117.6° | 109.5° |
| C7 | C5 | H5 | 108.5° | 109.5° |
| C5 | C7 | H9 | 107.4° | 109.5° |
| C5 | C7 | H10 | 107.4° | 109.4° |
| C8 | C7 | H9 | 107.4° | 109.5° |
| C8 | C7 | H10 | 107.4° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.4° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.4° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H6 | C6 | H8 | 109.4° | 109.5° |
| H7 | C6 | H8 | 109.4° | 109.5° |
| H9 | C7 | H10 | 109.4° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| O2 | C9 | C10 | 120.5° | 120.0° |
| O2 | C9 | N2 | 123.5° | 120.0° |
| C9 | C10 | N1 | 109.8° | 109.5° |
| C9 | C10 | C11 | 111.5° | 109.5° |
| C9 | C10 | H15 | 108.0° | 109.5° |
| C10 | C9 | N2 | 115.9° | 120.0° |
| N1 | C10 | C11 | 110.7° | 109.5° |
| C10 | N1 | H14 | 119.2° | 120.0° |
| N1 | C10 | H15 | 108.9° | 109.4° |
| C10 | N1 | C1 | 121.7° | 120.0° |
| F1 | C16 | C13 | 118.2° | 120.0° |
| F1 | C16 | C14 | 118.3° | 120.0° |
| F2 | C17 | C13 | 118.2° | 120.0° |
| F2 | C17 | C15 | 117.7° | 120.0° |
| C10 | C11 | C12 | 111.9° | 109.5° |
| C11 | C10 | H15 | 107.8° | 109.5° |
| C10 | C11 | H16 | 108.9° | 109.5° |
| C10 | C11 | H17 | 108.9° | 109.4° |
| C11 | C12 | C14 | 120.5° | 120.0° |
| C11 | C12 | C15 | 120.0° | 120.0° |
| C12 | C11 | H16 | 108.8° | 109.5° |
| C12 | C11 | H17 | 108.9° | 109.5° |
| C14 | C12 | C15 | 119.4° | 120.1° |
| C12 | C14 | C16 | 118.9° | 120.0° |
| C12 | C14 | H19 | 120.6° | 120.0° |
| C12 | C15 | C17 | 118.3° | 120.0° |
| C12 | C15 | H20 | 120.9° | 120.0° |
| C16 | C13 | C17 | 115.8° | 119.9° |
| C13 | C16 | C14 | 123.5° | 120.0° |
| C16 | C13 | H18 | 122.1° | 120.0° |
| C13 | C17 | C15 | 124.0° | 120.0° |
| C17 | C13 | H18 | 122.1° | 120.1° |
| C16 | C14 | H19 | 120.5° | 120.0° |
| C17 | C15 | H20 | 120.8° | 120.0° |
| H14 | N1 | C1 | 119.2° | 120.0° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| C18 | N2 | H21 | 118.6° | 120.0° |
| N2 | C18 | C19 | 107.1° | 109.2° |
| N2 | C18 | C20 | 110.5° | 109.2° |
| N2 | C18 | H22 | 109.8° | 109.1° |
| C18 | N2 | C9 | 122.8° | 120.0° |
| H21 | N2 | C9 | 118.6° | 120.0° |
| C19 | C18 | C20 | 111.9° | 110.2° |
| C19 | C18 | H22 | 108.7° | 109.9° |
| C18 | C19 | O3 | 119.8° | 119.8° |
| C18 | C19 | N3 | 118.9° | 120.7° |
| C20 | C18 | H22 | 108.8° | 109.2° |
| C18 | C20 | O4 | 114.6° | 109.4° |
| C18 | C20 | C21 | 113.9° | 109.0° |
| C18 | C20 | H23 | 105.8° | 109.7° |
| O3 | C19 | N3 | 121.3° | 119.5° |
| O4 | C20 | C21 | 109.5° | 109.4° |
| O4 | C20 | H23 | 106.5° | 109.8° |
| C20 | O4 | C38 | 116.4° | 118.3° |
| C21 | C20 | H23 | 105.9° | 109.5° |
| C20 | C21 | H24 | 109.5° | 109.4° |
| C20 | C21 | H25 | 109.5° | 109.5° |
| C20 | C21 | H26 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.4° |
| H24 | C21 | H26 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| C22 | N3 | C26 | 112.0° | 109.6° |
| N3 | C22 | C23 | 110.4° | 112.2° |
| N3 | C22 | C24 | 103.1° | 109.0° |
| N3 | C22 | H27 | 111.3° | 107.1° |
| C22 | N3 | C19 | 123.5° | 125.2° |
| N3 | C26 | C25 | 103.5° | 108.2° |
| N3 | C26 | H32 | 110.9° | 110.0° |
| N3 | C26 | H33 | 110.9° | 109.8° |
| C26 | N3 | C19 | 124.5° | 125.2° |
| C23 | C22 | C24 | 111.1° | 113.7° |
| C23 | C22 | H27 | 110.4° | 107.4° |
| C22 | C23 | O5 | 119.2° | 115.7° |
| C22 | C23 | N4 | 119.5° | 128.6° |
| C24 | C22 | H27 | 110.4° | 107.1° |
| C22 | C24 | C25 | 103.7° | 105.9° |
| C22 | C24 | H28 | 110.9° | 111.2° |
| C22 | C24 | H29 | 110.9° | 109.7° |
| O5 | C23 | N4 | 121.3° | 115.7° |
| C25 | C24 | H28 | 110.9° | 111.0° |
| C25 | C24 | H29 | 110.9° | 109.5° |
| C24 | C25 | C26 | 104.6° | 106.1° |
| C24 | C25 | H30 | 110.7° | 110.5° |
| C24 | C25 | H31 | 110.7° | 110.1° |
| H28 | C24 | H29 | 109.4° | 109.4° |
| C26 | C25 | H30 | 110.7° | 110.1° |
| C26 | C25 | H31 | 110.7° | 110.2° |
| C25 | C26 | H32 | 111.0° | 109.8° |
| C25 | C26 | H33 | 110.9° | 109.7° |
| H30 | C25 | H31 | 109.5° | 109.8° |
| H32 | C26 | H33 | 109.5° | 109.3° |
| C27 | N4 | C33 | 113.3° | 118.5° |
| N4 | C27 | C29 | 109.2° | 109.8° |
| N4 | C27 | C28 | 114.8° | 107.6° |
| N4 | C27 | H34 | 107.5° | 109.5° |
| C27 | N4 | C23 | 126.0° | 118.7° |
| N4 | C33 | C32 | 110.4° | 109.2° |
| N4 | C33 | H43 | 109.2° | 110.7° |
| N4 | C33 | H44 | 109.2° | 109.4° |
| C33 | N4 | C23 | 120.7° | 122.7° |
| O6 | C28 | C27 | 119.7° | 118.7° |
| O6 | C28 | N5 | 123.0° | 121.2° |
| C29 | C27 | C28 | 111.3° | 110.9° |
| C27 | C29 | C30 | 110.5° | 110.7° |
| C29 | C27 | H34 | 106.8° | 109.7° |
| C27 | C29 | H35 | 109.2° | 109.4° |
| C27 | C29 | H36 | 109.2° | 109.6° |
| C28 | C27 | H34 | 106.8° | 109.3° |
| C27 | C28 | N5 | 117.3° | 120.2° |
| C29 | C30 | C32 | 109.1° | 109.8° |
| C29 | C30 | C31 | 111.3° | 109.5° |
| C30 | C29 | H35 | 109.2° | 109.4° |
| C30 | C29 | H36 | 109.2° | 109.3° |
| C29 | C30 | H37 | 108.0° | 109.2° |
| C32 | C30 | C31 | 112.1° | 109.5° |
| C30 | C32 | C33 | 112.2° | 108.6° |
| C32 | C30 | H37 | 108.1° | 109.6° |
| C30 | C32 | H41 | 108.8° | 109.4° |
| C30 | C32 | H42 | 108.8° | 109.8° |
| C31 | C30 | H37 | 108.0° | 109.3° |
| C30 | C31 | H38 | 109.5° | 109.5° |
| C30 | C31 | H39 | 109.5° | 109.4° |
| C30 | C31 | H40 | 109.5° | 109.5° |
| C33 | C32 | H41 | 108.8° | 109.4° |
| C33 | C32 | H42 | 108.8° | 109.7° |
| C32 | C33 | H43 | 109.3° | 109.5° |
| C32 | C33 | H44 | 109.2° | 109.1° |
| H35 | C29 | H36 | 109.5° | 108.4° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H38 | C31 | H40 | 109.5° | 109.4° |
| H39 | C31 | H40 | 109.5° | 109.5° |
| H41 | C32 | H42 | 109.4° | 109.9° |
| H43 | C33 | H44 | 109.5° | 108.8° |
| C34 | N5 | H45 | 119.3° | 120.0° |
| N5 | C34 | C35 | 112.6° | 107.7° |
| N5 | C34 | C36 | 110.0° | 109.4° |
| N5 | C34 | H46 | 109.1° | 108.7° |
| C34 | N5 | C28 | 121.4° | 119.0° |
| H45 | N5 | C28 | 119.3° | 121.0° |
| C35 | C34 | C36 | 108.8° | 112.0° |
| C35 | C34 | H46 | 108.1° | 109.4° |
| C34 | C35 | O7 | 120.4° | 118.1° |
| C34 | C35 | N6 | 117.1° | 124.9° |
| C36 | C34 | H46 | 108.2° | 109.6° |
| C34 | C36 | H47 | 109.5° | 109.4° |
| C34 | C36 | H48 | 109.5° | 109.4° |
| C34 | C36 | H49 | 109.4° | 109.5° |
| O7 | C35 | N6 | 121.8° | 116.9° |
| H47 | C36 | H48 | 109.5° | 109.5° |
| H47 | C36 | H49 | 109.5° | 109.5° |
| H48 | C36 | H49 | 109.5° | 109.5° |
| C37 | N6 | C41 | 111.6° | 109.3° |
| N6 | C37 | C38 | 111.0° | 108.5° |
| N6 | C37 | C39 | 102.8° | 108.7° |
| N6 | C37 | H50 | 111.2° | 109.6° |
| C37 | N6 | C35 | 123.7° | 121.5° |
| N6 | C41 | C40 | 104.0° | 108.9° |
| N6 | C41 | H55 | 110.8° | 109.9° |
| N6 | C41 | H56 | 110.8° | 110.3° |
| C41 | N6 | C35 | 124.6° | 129.2° |
| C38 | C37 | C39 | 111.4° | 110.2° |
| C38 | C37 | H50 | 110.3° | 109.8° |
| C37 | C38 | O8 | 124.1° | 119.4° |
| C37 | C38 | O4 | 111.3° | 119.2° |
| C39 | C37 | H50 | 110.1° | 110.1° |
| C37 | C39 | C40 | 104.2° | 106.2° |
| C37 | C39 | H51 | 110.8° | 109.8° |
| C37 | C39 | H52 | 110.8° | 110.6° |
| O8 | C38 | O4 | 124.6° | 121.5° |
| C40 | C39 | H51 | 110.8° | 110.2° |
| C40 | C39 | H52 | 110.8° | 110.4° |
| C39 | C40 | C41 | 107.1° | 106.1° |
| C39 | C40 | H53 | 110.1° | 110.2° |
| C39 | C40 | H54 | 110.1° | 110.2° |
| H51 | C39 | H52 | 109.5° | 109.7° |
| C41 | C40 | H53 | 110.1° | 110.4° |
| C41 | C40 | H54 | 110.1° | 110.1° |
| C40 | C41 | H55 | 110.8° | 109.3° |
| C40 | C41 | H56 | 110.8° | 108.8° |
| H53 | C40 | H54 | 109.5° | 109.8° |
| H55 | C41 | H56 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.4° | 179.6° |
| O1 | C1 | C2 | C3 | 1.0° | 0.1° |
| O1 | C1 | C2 | H1 | 179.0° | 180.0° |
| O1 | C1 | N1 | C10 | 1.8° | 0.1° |
| O1 | C1 | N1 | H14 | 178.2° | 180.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 179.6° | 180.0° |
| C1 | C2 | C3 | H2 | 0.4° | 0.1° |
| C2 | C1 | N1 | C10 | 178.8° | 179.7° |
| C2 | C1 | N1 | H14 | 1.2° | 0.4° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 139.7° | 125.0° |
| C2 | C3 | C4 | H3 | 19.2° | 115.0° |
| C2 | C3 | C4 | H4 | 99.8° | 5.0° |
| C3 | C2 | C1 | N1 | 179.6° | 179.7° |
| C3 | C4 | C5 | H3 | 120.5° | 120.0° |
| C3 | C4 | C5 | H4 | 120.5° | 119.9° |
| C3 | C4 | C5 | C6 | 62.2° | 65.0° |
| C3 | C4 | C5 | C7 | 174.2° | 175.0° |
| C4 | C3 | C2 | H1 | 0.4° | 0.0° |
| C3 | C4 | H3 | H4 | 118.5° | 120.0° |
| C3 | C4 | C5 | H5 | 55.5° | 55.0° |
| C4 | C5 | C6 | C7 | 123.2° | 120.0° |
| C4 | C5 | C6 | H5 | 117.7° | 120.0° |
| C4 | C5 | C7 | H5 | 118.4° | 120.1° |
| C4 | C5 | C7 | C8 | 49.2° | 175.0° |
| C5 | C4 | C3 | H2 | 40.3° | 55.1° |
| C5 | C4 | H3 | H4 | 118.4° | 120.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | H7 | 60.0° | 60.0° |
| C4 | C5 | C6 | H8 | 60.0° | 59.9° |
| C4 | C5 | C7 | H9 | 170.4° | 64.9° |
| C4 | C5 | C7 | H10 | 72.0° | 55.0° |
| C6 | C5 | C7 | H5 | 118.8° | 119.9° |
| C6 | C5 | C7 | C8 | 172.0° | 65.0° |
| C6 | C5 | C4 | H3 | 58.4° | 55.0° |
| C6 | C5 | C4 | H4 | 177.3° | 175.0° |
| C5 | C6 | H6 | H7 | 120.0° | 120.0° |
| C5 | C6 | H6 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C6 | C5 | C7 | H9 | 66.8° | 55.1° |
| C6 | C5 | C7 | H10 | 50.8° | 175.0° |
| C5 | C7 | C8 | H9 | 121.2° | 120.1° |
| C5 | C7 | C8 | H10 | 121.2° | 120.0° |
| C7 | C5 | C4 | H3 | 65.3° | 65.0° |
| C7 | C5 | C4 | H4 | 53.7° | 55.1° |
| C7 | C5 | C6 | H6 | 56.8° | 60.0° |
| C7 | C5 | C6 | H7 | 176.8° | 180.0° |
| C7 | C5 | C6 | H8 | 63.2° | 60.0° |
| C5 | C7 | H9 | H10 | 116.3° | 119.9° |
| C5 | C7 | C8 | H11 | 180.0° | 179.9° |
| C5 | C7 | C8 | H12 | 60.0° | 59.9° |
| C5 | C7 | C8 | H13 | 60.0° | 60.0° |
| C8 | C7 | C5 | H5 | 69.2° | 54.9° |
| C8 | C7 | H9 | H10 | 116.3° | 120.0° |
| C7 | C8 | H11 | H12 | 120.0° | 120.0° |
| C7 | C8 | H11 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H13 | 120.0° | 119.9° |
| H1 | C2 | C3 | H2 | 179.6° | 180.0° |
| H1 | C2 | C1 | N1 | 0.4° | 0.3° |
| H2 | C3 | C4 | H3 | 160.8° | 65.0° |
| H2 | C3 | C4 | H4 | 80.2° | 175.0° |
| H3 | C4 | C5 | H5 | 176.0° | 175.0° |
| H4 | C4 | C5 | H5 | 65.0° | 65.0° |
| H5 | C5 | C6 | H6 | 62.3° | 60.0° |
| H5 | C5 | C6 | H7 | 57.7° | 60.0° |
| H5 | C5 | C6 | H8 | 177.7° | 180.0° |
| H5 | C5 | C7 | H9 | 52.0° | 175.0° |
| H5 | C5 | C7 | H10 | 169.6° | 65.1° |
| H6 | C6 | H7 | H8 | 119.9° | 120.0° |
| H9 | C7 | C8 | H11 | 58.8° | 60.0° |
| H9 | C7 | C8 | H12 | 178.8° | 180.0° |
| H9 | C7 | C8 | H13 | 61.2° | 60.1° |
| H10 | C7 | C8 | H11 | 58.8° | 59.9° |
| H10 | C7 | C8 | H12 | 61.2° | 60.1° |
| H10 | C7 | C8 | H13 | 178.8° | 180.0° |
| H11 | C8 | H12 | H13 | 120.0° | 120.0° |
| O2 | C9 | C10 | N2 | 178.9° | 180.0° |
| O2 | C9 | C10 | N1 | 115.5° | 0.0° |
| O2 | C9 | C10 | C11 | 7.6° | 120.0° |
| O2 | C9 | C10 | H15 | 125.9° | 120.0° |
| O2 | C9 | N2 | C18 | 4.8° | 0.0° |
| O2 | C9 | N2 | H21 | 175.3° | 180.0° |
| C9 | C10 | N1 | C11 | 123.6° | 120.0° |
| C9 | C10 | N1 | H15 | 118.0° | 120.0° |
| C9 | C10 | C11 | H15 | 118.3° | 120.0° |
| C9 | C10 | C11 | C12 | 175.9° | 175.0° |
| C9 | C10 | N1 | H14 | 96.5° | 25.0° |
| C9 | C10 | C11 | H16 | 63.7° | 65.0° |
| C9 | C10 | C11 | H17 | 55.6° | 55.0° |
| C10 | C9 | N2 | C18 | 174.1° | 180.0° |
| C10 | C9 | N2 | H21 | 5.9° | 0.0° |
| C9 | C10 | N1 | C1 | 83.5° | 155.0° |
| N1 | C10 | C11 | H15 | 119.1° | 119.9° |
| N1 | C10 | C11 | C12 | 61.5° | 65.0° |
| C10 | N1 | H14 | C1 | 180.0° | 179.9° |
| N1 | C10 | C11 | H16 | 58.9° | 55.1° |
| N1 | C10 | C11 | H17 | 178.1° | 175.0° |
| N1 | C10 | C9 | N2 | 63.4° | 180.0° |
| F1 | C16 | C14 | C12 | 179.1° | 179.9° |
| F1 | C16 | C13 | C14 | 179.5° | 180.0° |
| F1 | C16 | C13 | C17 | 179.9° | 179.7° |
| F1 | C16 | C13 | H18 | 0.1° | 0.1° |
| F1 | C16 | C14 | H19 | 1.0° | 0.0° |
| F2 | C17 | C15 | C12 | 179.5° | 179.7° |
| F2 | C17 | C13 | C16 | 179.8° | 180.0° |
| F2 | C17 | C13 | C15 | 179.8° | 179.7° |
| F2 | C17 | C13 | H18 | 0.2° | 0.2° |
| F2 | C17 | C15 | H20 | 0.5° | 0.3° |
| C10 | C11 | C12 | H16 | 120.4° | 120.0° |
| C10 | C11 | C12 | H17 | 120.4° | 120.0° |
| C10 | C11 | C12 | C14 | 80.9° | 90.0° |
| C10 | C11 | C12 | C15 | 95.3° | 90.3° |
| C11 | C10 | N1 | H14 | 27.1° | 95.0° |
| C10 | C11 | H16 | H17 | 118.9° | 119.9° |
| C11 | C10 | N1 | C1 | 152.9° | 84.9° |
| C11 | C10 | C9 | N2 | 173.5° | 60.0° |
| C11 | C12 | C14 | C15 | 176.3° | 179.8° |
| C11 | C12 | C14 | C16 | 175.1° | 180.0° |
| C11 | C12 | C15 | C17 | 175.1° | 180.0° |
| C12 | C11 | C10 | H15 | 57.6° | 55.0° |
| C12 | C11 | H16 | H17 | 118.9° | 120.0° |
| C11 | C12 | C14 | H19 | 5.0° | 0.0° |
| C11 | C12 | C15 | H20 | 4.9° | 0.0° |
| C12 | C14 | C16 | C13 | 0.4° | 0.0° |
| C12 | C14 | C16 | H19 | 180.0° | 180.0° |
| C14 | C12 | C15 | C17 | 1.1° | 0.2° |
| C14 | C12 | C11 | H16 | 158.7° | 30.0° |
| C14 | C12 | C11 | H17 | 39.4° | 150.0° |
| C14 | C12 | C15 | H20 | 178.9° | 179.8° |
| C12 | C15 | C17 | C13 | 0.3° | 0.0° |
| C15 | C12 | C14 | C16 | 1.2° | 0.2° |
| C12 | C15 | C17 | H20 | 180.0° | 180.0° |
| C15 | C12 | C11 | H16 | 25.1° | 149.7° |
| C15 | C12 | C11 | H17 | 144.3° | 29.7° |
| C15 | C12 | C14 | H19 | 178.8° | 179.7° |
| C16 | C13 | C17 | H18 | 180.0° | 179.8° |
| C16 | C13 | C17 | C15 | 0.4° | 0.3° |
| C13 | C16 | C14 | H19 | 179.5° | 180.0° |
| C17 | C13 | C16 | C14 | 0.4° | 0.3° |
| C13 | C17 | C15 | H20 | 179.7° | 180.0° |
| C14 | C16 | C13 | H18 | 179.6° | 179.9° |
| C15 | C17 | C13 | H18 | 179.5° | 179.9° |
| H14 | N1 | C10 | H15 | 145.5° | 145.0° |
| H15 | C10 | C11 | H16 | 177.9° | 175.0° |
| H15 | C10 | C11 | H17 | 62.8° | 65.1° |
| H15 | C10 | N1 | C1 | 34.5° | 35.0° |
| H15 | C10 | C9 | N2 | 55.2° | 60.0° |
| C18 | N2 | H21 | C9 | 180.0° | 180.0° |
| N2 | C18 | C19 | C20 | 121.2° | 119.9° |
| N2 | C18 | C19 | H22 | 118.6° | 119.7° |
| N2 | C18 | C20 | H22 | 120.7° | 119.3° |
| N2 | C18 | C19 | O3 | 47.4° | 39.4° |
| N2 | C18 | C20 | O4 | 74.4° | 45.8° |
| N2 | C18 | C20 | C21 | 158.4° | 73.8° |
| N2 | C18 | C20 | H23 | 42.5° | 166.2° |
| N2 | C18 | C19 | N3 | 132.3° | 140.3° |
| H21 | N2 | C18 | C19 | 66.4° | 95.0° |
| H21 | N2 | C18 | C20 | 55.6° | 25.5° |
| H21 | N2 | C18 | H22 | 175.7° | 144.9° |
| C19 | C18 | C20 | H22 | 120.2° | 120.8° |
| C18 | C19 | O3 | N3 | 179.7° | 179.8° |
| C19 | C18 | C20 | O4 | 166.4° | 74.2° |
| C19 | C18 | C20 | C21 | 39.3° | 166.2° |
| C19 | C18 | C20 | H23 | 76.7° | 46.3° |
| C18 | C19 | N3 | C22 | 0.2° | 165.0° |
| C18 | C19 | N3 | C26 | 179.7° | 14.8° |
| C19 | C18 | N2 | C9 | 113.6° | 85.0° |
| C20 | C18 | C19 | O3 | 73.8° | 80.5° |
| C18 | C20 | O4 | C21 | 129.3° | 119.4° |
| C18 | C20 | O4 | H23 | 116.5° | 120.4° |
| C18 | C20 | C21 | H23 | 115.8° | 120.0° |
| C18 | C20 | C21 | H24 | 180.0° | 60.0° |
| C18 | C20 | C21 | H25 | 60.0° | 179.9° |
| C18 | C20 | C21 | H26 | 60.0° | 60.0° |
| C20 | C18 | N2 | C9 | 124.4° | 154.5° |
| C18 | C20 | O4 | C38 | 66.0° | 161.2° |
| C20 | C18 | C19 | N3 | 106.5° | 99.8° |
| H22 | C18 | C19 | O3 | 166.0° | 159.1° |
| H22 | C18 | C20 | O4 | 46.2° | 165.0° |
| H22 | C18 | C20 | C21 | 80.9° | 45.4° |
| H22 | C18 | C20 | H23 | 163.2° | 74.5° |
| H22 | C18 | N2 | C9 | 4.3° | 35.2° |
| H22 | C18 | C19 | N3 | 13.7° | 20.6° |
| O3 | C19 | N3 | C22 | 179.5° | 14.8° |
| O3 | C19 | N3 | C26 | 0.6° | 165.4° |
| O4 | C20 | C21 | H23 | 114.5° | 120.3° |
| O4 | C20 | C21 | H24 | 50.2° | 59.6° |
| O4 | C20 | C21 | H25 | 170.2° | 60.3° |
| O4 | C20 | C21 | H26 | 69.7° | 179.6° |
| C20 | O4 | C38 | C37 | 163.2° | 179.4° |
| C20 | O4 | C38 | O8 | 14.9° | 0.2° |
| C20 | C21 | H24 | H25 | 120.0° | 120.0° |
| C20 | C21 | H24 | H26 | 120.0° | 120.1° |
| C20 | C21 | H25 | H26 | 120.0° | 120.1° |
| C21 | C20 | O4 | C38 | 63.3° | 79.4° |
| H23 | C20 | C21 | H24 | 64.2° | 179.9° |
| H23 | C20 | C21 | H25 | 55.8° | 60.0° |
| H23 | C20 | C21 | H26 | 175.8° | 60.1° |
| H23 | C20 | O4 | C38 | 177.4° | 40.7° |
| H24 | C21 | H25 | H26 | 120.0° | 120.0° |
| C22 | N3 | C26 | C19 | 179.9° | 179.8° |
| N3 | C22 | C23 | C24 | 113.7° | 124.2° |
| N3 | C22 | C23 | H27 | 123.5° | 117.4° |
| N3 | C22 | C24 | H27 | 118.9° | 115.5° |
| N3 | C22 | C23 | O5 | 17.0° | 109.1° |
| N3 | C22 | C24 | C25 | 30.5° | 5.1° |
| N3 | C22 | C24 | H28 | 149.6° | 125.9° |
| N3 | C22 | C24 | H29 | 88.5° | 112.9° |
| C22 | N3 | C26 | C25 | 8.9° | 8.2° |
| C22 | N3 | C26 | H32 | 110.2° | 111.8° |
| C22 | N3 | C26 | H33 | 127.9° | 127.8° |
| N3 | C22 | C23 | N4 | 163.1° | 71.4° |
| C26 | N3 | C22 | C23 | 105.3° | 128.6° |
| C26 | N3 | C22 | C24 | 13.5° | 1.9° |
| C26 | N3 | C22 | H27 | 131.8° | 113.7° |
| N3 | C26 | C25 | C24 | 28.2° | 11.1° |
| N3 | C26 | C25 | H32 | 119.1° | 120.1° |
| N3 | C26 | C25 | H33 | 119.1° | 119.8° |
| N3 | C26 | C25 | H30 | 91.1° | 108.5° |
| N3 | C26 | C25 | H31 | 147.4° | 130.3° |
| N3 | C26 | H32 | H33 | 122.7° | 120.7° |
| C23 | C22 | C24 | H27 | 122.8° | 118.5° |
| C22 | C23 | O5 | N4 | 179.8° | 179.6° |
| C23 | C22 | C24 | C25 | 87.8° | 120.8° |
| C23 | C22 | C24 | H28 | 31.3° | 0.0° |
| C23 | C22 | C24 | H29 | 153.2° | 121.1° |
| C22 | C23 | N4 | C27 | 17.8° | 167.6° |
| C22 | C23 | N4 | C33 | 161.7° | 12.7° |
| C23 | C22 | N3 | C19 | 74.8° | 51.5° |
| C24 | C22 | C23 | O5 | 96.7° | 126.6° |
| C22 | C24 | C25 | H28 | 119.1° | 120.9° |
| C22 | C24 | C25 | H29 | 119.1° | 118.2° |
| C22 | C24 | H28 | H29 | 122.7° | 121.3° |
| C22 | C24 | C25 | C26 | 36.8° | 9.8° |
| C22 | C24 | C25 | H30 | 82.5° | 109.6° |
| C22 | C24 | C25 | H31 | 156.0° | 129.0° |
| C24 | C22 | N3 | C19 | 166.4° | 178.3° |
| C24 | C22 | C23 | N4 | 83.1° | 52.9° |
| H27 | C22 | C23 | O5 | 140.5° | 8.3° |
| H27 | C22 | C24 | C25 | 149.5° | 120.7° |
| H27 | C22 | C24 | H28 | 91.5° | 118.5° |
| H27 | C22 | C24 | H29 | 30.4° | 2.6° |
| H27 | C22 | N3 | C19 | 48.1° | 66.1° |
| H27 | C22 | C23 | N4 | 39.7° | 171.2° |
| O5 | C23 | N4 | C27 | 162.4° | 12.9° |
| O5 | C23 | N4 | C33 | 18.1° | 166.8° |
| C25 | C24 | H28 | H29 | 122.7° | 120.9° |
| C24 | C25 | C26 | H30 | 119.2° | 119.6° |
| C24 | C25 | C26 | H31 | 119.2° | 119.1° |
| C24 | C25 | H30 | H31 | 122.2° | 121.6° |
| C24 | C25 | C26 | H32 | 90.9° | 108.9° |
| C24 | C25 | C26 | H33 | 147.2° | 130.9° |
| H28 | C24 | C25 | C26 | 155.8° | 130.7° |
| H28 | C24 | C25 | H30 | 36.6° | 11.3° |
| H28 | C24 | C25 | H31 | 84.9° | 110.1° |
| H29 | C24 | C25 | C26 | 82.3° | 108.5° |
| H29 | C24 | C25 | H30 | 158.4° | 132.2° |
| H29 | C24 | C25 | H31 | 36.9° | 10.8° |
| C26 | C25 | H30 | H31 | 122.3° | 121.5° |
| C25 | C26 | H32 | H33 | 122.7° | 120.4° |
| C25 | C26 | N3 | C19 | 171.2° | 172.0° |
| H30 | C25 | C26 | H32 | 149.9° | 131.4° |
| H30 | C25 | C26 | H33 | 28.0° | 11.3° |
| H31 | C25 | C26 | H32 | 28.3° | 10.2° |
| H31 | C25 | C26 | H33 | 93.6° | 110.0° |
| H32 | C26 | N3 | C19 | 69.7° | 68.1° |
| H33 | C26 | N3 | C19 | 52.2° | 52.3° |
| C27 | N4 | C33 | C23 | 179.6° | 179.7° |
| N4 | C27 | C28 | O6 | 144.5° | 9.1° |
| N4 | C27 | C29 | C28 | 127.9° | 118.8° |
| N4 | C27 | C29 | H34 | 115.9° | 120.4° |
| N4 | C27 | C28 | H34 | 119.0° | 118.8° |
| N4 | C27 | C29 | C30 | 58.9° | 51.2° |
| C27 | N4 | C33 | C32 | 56.3° | 53.7° |
| N4 | C27 | C29 | H35 | 179.0° | 171.7° |
| N4 | C27 | C29 | H36 | 61.3° | 69.5° |
| C27 | N4 | C33 | H43 | 176.5° | 174.4° |
| C27 | N4 | C33 | H44 | 63.8° | 65.7° |
| N4 | C27 | C28 | N5 | 34.7° | 169.6° |
| C33 | N4 | C27 | C29 | 59.0° | 50.8° |
| C33 | N4 | C27 | C28 | 66.8° | 70.0° |
| N4 | C33 | C32 | C30 | 53.7° | 56.4° |
| N4 | C33 | C32 | H43 | 120.2° | 121.4° |
| N4 | C33 | C32 | H44 | 120.1° | 119.5° |
| C33 | N4 | C27 | H34 | 174.5° | 171.3° |
| N4 | C33 | C32 | H41 | 174.2° | 175.8° |
| N4 | C33 | C32 | H42 | 66.7° | 63.6° |
| N4 | C33 | H43 | H44 | 119.6° | 120.3° |
| O6 | C28 | C27 | C29 | 19.8° | 111.0° |
| O6 | C28 | C27 | N5 | 179.2° | 178.7° |
| O6 | C28 | C27 | H34 | 96.5° | 128.0° |
| O6 | C28 | N5 | C34 | 6.3° | 4.2° |
| O6 | C28 | N5 | H45 | 173.7° | 175.7° |
| C29 | C27 | C28 | H34 | 116.2° | 121.1° |
| C27 | C29 | C30 | H35 | 120.1° | 120.6° |
| C27 | C29 | C30 | H36 | 120.2° | 120.8° |
| C27 | C29 | C30 | C32 | 57.0° | 59.3° |
| C27 | C29 | C30 | C31 | 178.8° | 179.5° |
| C27 | C29 | H35 | H36 | 119.5° | 119.4° |
| C27 | C29 | C30 | H37 | 60.4° | 60.9° |
| C29 | C27 | N4 | C23 | 120.5° | 129.0° |
| C29 | C27 | C28 | N5 | 159.4° | 70.3° |
| C28 | C27 | C29 | C30 | 69.0° | 67.7° |
| C28 | C27 | C29 | H35 | 51.2° | 52.9° |
| C28 | C27 | C29 | H36 | 170.9° | 171.6° |
| C27 | C28 | N5 | C34 | 172.8° | 174.5° |
| C27 | C28 | N5 | H45 | 7.2° | 5.6° |
| C28 | C27 | N4 | C23 | 113.6° | 110.3° |
| C29 | C30 | C32 | C31 | 123.7° | 120.3° |
| C29 | C30 | C32 | H37 | 117.3° | 119.9° |
| C29 | C30 | C31 | H37 | 118.4° | 119.6° |
| C29 | C30 | C32 | C33 | 54.6° | 61.4° |
| C30 | C29 | C27 | H34 | 174.8° | 171.6° |
| C30 | C29 | H35 | H36 | 119.5° | 119.1° |
| C29 | C30 | C31 | H38 | 180.0° | 60.0° |
| C29 | C30 | C31 | H39 | 60.0° | 180.0° |
| C29 | C30 | C31 | H40 | 60.0° | 60.0° |
| C29 | C30 | C32 | H41 | 175.0° | 179.2° |
| C29 | C30 | C32 | H42 | 65.9° | 58.5° |
| C32 | C30 | C31 | H37 | 119.0° | 120.0° |
| C30 | C32 | C33 | H41 | 120.4° | 119.4° |
| C30 | C32 | C33 | H42 | 120.4° | 120.0° |
| C32 | C30 | C29 | H35 | 177.1° | 179.9° |
| C32 | C30 | C29 | H36 | 63.2° | 61.5° |
| C32 | C30 | C31 | H38 | 57.5° | 60.5° |
| C32 | C30 | C31 | H39 | 177.5° | 59.5° |
| C32 | C30 | C31 | H40 | 62.5° | 179.6° |
| C30 | C32 | H41 | H42 | 118.8° | 120.6° |
| C30 | C32 | C33 | H43 | 173.9° | 177.8° |
| C30 | C32 | C33 | H44 | 66.4° | 63.2° |
| C31 | C30 | C32 | C33 | 178.3° | 178.4° |
| C31 | C30 | C29 | H35 | 58.7° | 59.9° |
| C31 | C30 | C29 | H36 | 61.0° | 58.7° |
| C30 | C31 | H38 | H39 | 120.0° | 120.0° |
| C30 | C31 | H38 | H40 | 120.0° | 120.0° |
| C30 | C31 | H39 | H40 | 120.0° | 120.0° |
| C31 | C30 | C32 | H41 | 61.3° | 59.0° |
| C31 | C30 | C32 | H42 | 57.9° | 61.7° |
| C33 | C32 | C30 | H37 | 62.7° | 58.6° |
| C33 | C32 | H41 | H42 | 118.8° | 120.5° |
| C32 | C33 | H43 | H44 | 119.6° | 119.2° |
| C32 | C33 | N4 | C23 | 123.2° | 126.0° |
| H34 | C27 | C29 | H35 | 65.0° | 67.8° |
| H34 | C27 | C29 | H36 | 54.7° | 50.9° |
| H34 | C27 | N4 | C23 | 5.0° | 8.4° |
| H34 | C27 | C28 | N5 | 84.3° | 50.8° |
| H35 | C29 | C30 | H37 | 59.7° | 59.7° |
| H36 | C29 | C30 | H37 | 179.4° | 178.3° |
| H37 | C30 | C31 | H38 | 61.6° | 179.6° |
| H37 | C30 | C31 | H39 | 58.5° | 60.5° |
| H37 | C30 | C31 | H40 | 178.4° | 59.6° |
| H37 | C30 | C32 | H41 | 57.7° | 60.8° |
| H37 | C30 | C32 | H42 | 176.8° | 178.5° |
| H38 | C31 | H39 | H40 | 120.0° | 120.0° |
| H41 | C32 | C33 | H43 | 65.7° | 62.8° |
| H41 | C32 | C33 | H44 | 54.0° | 56.2° |
| H42 | C32 | C33 | H43 | 53.5° | 57.8° |
| H42 | C32 | C33 | H44 | 173.2° | 176.9° |
| H43 | C33 | N4 | C23 | 3.1° | 5.4° |
| H44 | C33 | N4 | C23 | 116.6° | 114.6° |
| C34 | N5 | H45 | C28 | 180.0° | 179.9° |
| N5 | C34 | C35 | C36 | 122.2° | 120.3° |
| N5 | C34 | C35 | H46 | 120.5° | 118.0° |
| N5 | C34 | C36 | H46 | 119.1° | 119.1° |
| N5 | C34 | C35 | O7 | 104.7° | 14.4° |
| N5 | C34 | C36 | H47 | 180.0° | 60.0° |
| N5 | C34 | C36 | H48 | 60.0° | 180.0° |
| N5 | C34 | C36 | H49 | 60.0° | 60.0° |
| N5 | C34 | C35 | N6 | 66.4° | 166.4° |
| H45 | N5 | C34 | C35 | 32.7° | 128.6° |
| H45 | N5 | C34 | C36 | 88.8° | 109.4° |
| H45 | N5 | C34 | H46 | 152.7° | 10.1° |
| C35 | C34 | C36 | H46 | 117.2° | 121.6° |
| C34 | C35 | O7 | N6 | 170.6° | 179.2° |
| C35 | C34 | C36 | H47 | 56.2° | 59.4° |
| C35 | C34 | C36 | H48 | 176.2° | 60.6° |
| C35 | C34 | C36 | H49 | 63.7° | 179.4° |
| C34 | C35 | N6 | C37 | 4.3° | 177.3° |
| C34 | C35 | N6 | C41 | 172.3° | 2.3° |
| C35 | C34 | N5 | C28 | 147.3° | 51.6° |
| C36 | C34 | C35 | O7 | 17.5° | 134.8° |
| C34 | C36 | H47 | H48 | 120.0° | 120.0° |
| C34 | C36 | H47 | H49 | 120.0° | 120.0° |
| C34 | C36 | H48 | H49 | 120.0° | 120.0° |
| C36 | C34 | N5 | C28 | 91.2° | 70.4° |
| C36 | C34 | C35 | N6 | 171.4° | 46.1° |
| H46 | C34 | C35 | O7 | 134.8° | 103.5° |
| H46 | C34 | C36 | H47 | 61.0° | 179.0° |
| H46 | C34 | C36 | H48 | 59.0° | 60.9° |
| H46 | C34 | C36 | H49 | 179.1° | 59.1° |
| H46 | C34 | N5 | C28 | 27.3° | 170.0° |
| H46 | C34 | C35 | N6 | 54.2° | 75.6° |
| O7 | C35 | N6 | C37 | 166.6° | 3.5° |
| O7 | C35 | N6 | C41 | 16.7° | 176.9° |
| H47 | C36 | H48 | H49 | 120.0° | 120.1° |
| C37 | N6 | C41 | C35 | 177.0° | 179.6° |
| N6 | C37 | C38 | C39 | 113.8° | 118.8° |
| N6 | C37 | C38 | H50 | 123.6° | 119.8° |
| N6 | C37 | C39 | H50 | 118.5° | 120.0° |
| N6 | C37 | C38 | O8 | 131.0° | 60.0° |
| N6 | C37 | C39 | C40 | 31.8° | 1.7° |
| N6 | C37 | C39 | H51 | 150.9° | 120.8° |
| N6 | C37 | C39 | H52 | 87.4° | 118.0° |
| C37 | N6 | C41 | C40 | 13.9° | 9.8° |
| C37 | N6 | C41 | H55 | 133.0° | 129.5° |
| C37 | N6 | C41 | H56 | 105.2° | 109.5° |
| N6 | C37 | C38 | O4 | 47.1° | 119.6° |
| C41 | N6 | C37 | C38 | 90.1° | 112.6° |
| C41 | N6 | C37 | C39 | 29.0° | 7.2° |
| C41 | N6 | C37 | H50 | 146.8° | 127.5° |
| N6 | C41 | C40 | C39 | 7.3° | 8.4° |
| N6 | C41 | C40 | H55 | 119.1° | 120.1° |
| N6 | C41 | C40 | H56 | 119.1° | 120.3° |
| N6 | C41 | C40 | H53 | 112.3° | 127.8° |
| N6 | C41 | C40 | H54 | 127.0° | 110.8° |
| N6 | C41 | H55 | H56 | 122.5° | 121.4° |
| C38 | C37 | C39 | H50 | 122.6° | 121.2° |
| C37 | C38 | O8 | O4 | 177.9° | 179.6° |
| C38 | C37 | C39 | C40 | 87.1° | 117.0° |
| C38 | C37 | C39 | H51 | 32.0° | 2.1° |
| C38 | C37 | C39 | H52 | 153.7° | 123.2° |
| C38 | C37 | N6 | C35 | 92.8° | 67.0° |
| C39 | C37 | C38 | O8 | 115.2° | 58.8° |
| C37 | C39 | C40 | H51 | 119.1° | 118.8° |
| C37 | C39 | C40 | H52 | 119.2° | 119.9° |
| C37 | C39 | H51 | H52 | 122.5° | 121.7° |
| C37 | C39 | C40 | C41 | 24.4° | 4.0° |
| C37 | C39 | C40 | H53 | 95.2° | 123.4° |
| C37 | C39 | C40 | H54 | 144.0° | 115.2° |
| C39 | C37 | C38 | O4 | 66.7° | 121.5° |
| C39 | C37 | N6 | C35 | 148.0° | 173.2° |
| H50 | C37 | C38 | O8 | 7.4° | 179.8° |
| H50 | C37 | C39 | C40 | 150.3° | 121.8° |
| H50 | C37 | C39 | H51 | 90.6° | 119.2° |
| H50 | C37 | C39 | H52 | 31.1° | 2.0° |
| H50 | C37 | C38 | O4 | 170.7° | 0.2° |
| H50 | C37 | N6 | C35 | 30.3° | 52.8° |
| C40 | C39 | H51 | H52 | 122.5° | 121.7° |
| C39 | C40 | C41 | H53 | 119.6° | 119.3° |
| C39 | C40 | C41 | H54 | 119.7° | 119.3° |
| C39 | C40 | H53 | H54 | 121.1° | 121.6° |
| C39 | C40 | C41 | H55 | 111.8° | 128.5° |
| C39 | C40 | C41 | H56 | 126.5° | 111.8° |
| H51 | C39 | C40 | C41 | 143.5° | 114.8° |
| H51 | C39 | C40 | H53 | 23.9° | 4.6° |
| H51 | C39 | C40 | H54 | 96.8° | 126.0° |
| H52 | C39 | C40 | C41 | 94.8° | 123.9° |
| H52 | C39 | C40 | H53 | 145.6° | 116.6° |
| H52 | C39 | C40 | H54 | 24.9° | 4.7° |
| C41 | C40 | H53 | H54 | 121.1° | 121.6° |
| C40 | C41 | H55 | H56 | 122.5° | 119.2° |
| C40 | C41 | N6 | C35 | 163.1° | 170.6° |
| H53 | C40 | C41 | H55 | 128.6° | 112.1° |
| H53 | C40 | C41 | H56 | 6.8° | 7.5° |
| H54 | C40 | C41 | H55 | 7.9° | 9.3° |
| H54 | C40 | C41 | H56 | 113.9° | 128.9° |
| H55 | C41 | N6 | C35 | 44.0° | 50.9° |
| H56 | C41 | N6 | C35 | 77.8° | 70.1° |
