PRD_000504
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C1 | C7 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.34Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | O1 | doub | 1.21Å | 1.24Å | |
| C10 | O2 | doub | 1.21Å | 1.27Å | |
| C10 | C11 | sing | 1.51Å | 1.60Å | |
| N1 | C11 | sing | 1.46Å | 1.46Å | |
| F1 | C17 | sing | 1.35Å | 1.35Å | |
| F2 | C18 | sing | 1.35Å | 1.34Å | |
| C11 | C12 | sing | 1.53Å | 1.59Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C15 | doub | 1.38Å | 1.48Å | Aromatic |
| C13 | C16 | sing | 1.38Å | 1.50Å | Aromatic |
| C14 | C17 | doub | 1.38Å | 1.49Å | Aromatic |
| C14 | C18 | sing | 1.38Å | 1.46Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.47Å | Aromatic |
| C16 | C18 | doub | 1.38Å | 1.46Å | Aromatic |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | 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 | |
| N2 | C19 | sing | 1.47Å | 1.46Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.57Å | |
| C19 | C21 | sing | 1.53Å | 1.55Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | O3 | doub | 1.21Å | 1.25Å | |
| C21 | O4 | sing | 1.45Å | 1.47Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| N3 | C22 | sing | 1.47Å | 1.56Å | |
| N3 | C26 | sing | 1.47Å | 1.49Å | |
| C22 | C23 | sing | 1.50Å | 1.64Å | |
| C22 | C24 | sing | 1.54Å | 1.51Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.26Å | |
| C24 | C25 | sing | 1.54Å | 1.51Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.54Å | 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 | |
| C27 | O6 | doub | 1.21Å | 1.26Å | |
| C27 | C28 | sing | 1.50Å | 1.60Å | |
| N4 | C28 | sing | 1.47Å | 1.54Å | |
| N4 | C31 | sing | 1.47Å | 1.48Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C32 | sing | 1.52Å | 1.58Å | |
| C30 | C31 | sing | 1.52Å | 1.57Å | |
| C30 | C32 | sing | 1.52Å | 1.56Å | |
| C28 | 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 | |
| C30 | 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 | |
| N5 | C33 | sing | 1.49Å | 1.49Å | |
| N5 | H43 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.50Å | 1.58Å | |
| C33 | C35 | sing | 1.53Å | 1.56Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | O7 | doub | 1.21Å | 1.26Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | O8 | doub | 1.21Å | 1.23Å | |
| C36 | C37 | sing | 1.51Å | 1.56Å | |
| N6 | C37 | sing | 1.46Å | 1.49Å | |
| N6 | C39 | sing | 1.46Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | C41 | sing | 1.54Å | 1.53Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| O4 | C36 | sing | 1.34Å | 1.41Å | |
| C9 | N1 | sing | 1.35Å | 1.37Å | |
| C10 | N2 | sing | 1.35Å | 1.37Å | |
| C23 | N4 | sing | 1.34Å | 1.45Å | |
| C27 | N5 | sing | 1.37Å | 1.40Å | |
| C34 | N6 | sing | 1.35Å | 1.43Å | |
| C20 | N3 | sing | 1.34Å | 1.44Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 109.9° | 109.5° |
| C2 | C1 | C7 | 110.8° | 109.5° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C1 | C2 | C3 | 110.6° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| C1 | C2 | H3 | 109.2° | 109.5° |
| C6 | C1 | C7 | 108.8° | 109.4° |
| C6 | C1 | H1 | 109.2° | 109.5° |
| C1 | C6 | C5 | 110.6° | 109.5° |
| C1 | C6 | H10 | 109.2° | 109.5° |
| C1 | C6 | H11 | 109.2° | 109.5° |
| C7 | C1 | H1 | 109.1° | 109.5° |
| C1 | C7 | C8 | 110.3° | 109.5° |
| C1 | C7 | H12 | 109.3° | 109.5° |
| C1 | C7 | H13 | 109.3° | 109.4° |
| C3 | C2 | H2 | 109.2° | 109.4° |
| C3 | C2 | H3 | 109.2° | 109.5° |
| C2 | C3 | C4 | 111.9° | 109.5° |
| C2 | C3 | H4 | 108.9° | 109.5° |
| C2 | C3 | H5 | 108.9° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C4 | C3 | H5 | 108.9° | 109.5° |
| C3 | C4 | C5 | 112.3° | 109.5° |
| C3 | C4 | H6 | 108.8° | 109.5° |
| C3 | C4 | H7 | 108.8° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.4° |
| C5 | C4 | H6 | 108.8° | 109.5° |
| C5 | C4 | H7 | 108.8° | 109.5° |
| C4 | C5 | C6 | 112.2° | 109.4° |
| C4 | C5 | H8 | 108.8° | 109.5° |
| C4 | C5 | H9 | 108.8° | 109.5° |
| H6 | C4 | H7 | 109.4° | 109.5° |
| C6 | C5 | H8 | 108.8° | 109.4° |
| C6 | C5 | H9 | 108.8° | 109.5° |
| C5 | C6 | H10 | 109.2° | 109.4° |
| C5 | C6 | H11 | 109.2° | 109.4° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C8 | C7 | H12 | 109.3° | 109.5° |
| C8 | C7 | H13 | 109.3° | 109.4° |
| C7 | C8 | C9 | 123.2° | 109.5° |
| C7 | C8 | H14 | 105.9° | 109.5° |
| C7 | C8 | H15 | 105.9° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| C9 | C8 | H14 | 105.9° | 109.5° |
| C9 | C8 | H15 | 105.9° | 109.5° |
| C8 | C9 | O1 | 125.9° | 120.0° |
| C8 | C9 | N1 | 111.5° | 120.0° |
| H14 | C8 | H15 | 109.5° | 109.4° |
| O1 | C9 | N1 | 122.2° | 120.0° |
| O2 | C10 | C11 | 124.9° | 120.0° |
| O2 | C10 | N2 | 122.5° | 120.0° |
| C10 | C11 | N1 | 100.1° | 109.5° |
| C10 | C11 | C12 | 106.2° | 109.5° |
| C10 | C11 | H17 | 109.9° | 109.5° |
| C11 | C10 | N2 | 112.6° | 120.0° |
| N1 | C11 | C12 | 118.0° | 109.4° |
| C11 | N1 | H16 | 117.9° | 120.0° |
| N1 | C11 | H17 | 111.9° | 109.5° |
| C11 | N1 | C9 | 124.1° | 120.0° |
| F1 | C17 | C14 | 120.3° | 120.0° |
| F1 | C17 | C15 | 119.3° | 120.0° |
| F2 | C18 | C14 | 119.1° | 120.0° |
| F2 | C18 | C16 | 121.5° | 120.0° |
| C11 | C12 | C13 | 118.1° | 109.5° |
| C12 | C11 | H17 | 110.0° | 109.5° |
| C11 | C12 | H18 | 107.3° | 109.5° |
| C11 | C12 | H19 | 107.3° | 109.5° |
| C12 | C13 | C15 | 123.8° | 119.9° |
| C12 | C13 | C16 | 117.6° | 120.0° |
| C13 | C12 | H18 | 107.3° | 109.5° |
| C13 | C12 | H19 | 107.3° | 109.4° |
| C15 | C13 | C16 | 118.6° | 120.0° |
| C13 | C15 | C17 | 119.8° | 120.0° |
| C13 | C15 | H21 | 120.1° | 120.0° |
| C13 | C16 | C18 | 121.4° | 120.0° |
| C13 | C16 | H22 | 119.3° | 120.0° |
| C17 | C14 | C18 | 120.3° | 119.9° |
| C14 | C17 | C15 | 120.4° | 120.0° |
| C17 | C14 | H20 | 119.9° | 120.0° |
| C14 | C18 | C16 | 119.5° | 120.0° |
| C18 | C14 | H20 | 119.9° | 120.0° |
| C17 | C15 | H21 | 120.1° | 120.0° |
| C18 | C16 | H22 | 119.3° | 120.0° |
| H16 | N1 | C9 | 118.0° | 120.0° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| C19 | N2 | H23 | 117.6° | 120.0° |
| N2 | C19 | C20 | 116.7° | 109.5° |
| N2 | C19 | C21 | 115.0° | 109.5° |
| N2 | C19 | H24 | 108.0° | 109.5° |
| C19 | N2 | C10 | 124.8° | 120.0° |
| H23 | N2 | C10 | 117.6° | 120.0° |
| C20 | C19 | C21 | 102.7° | 109.4° |
| C20 | C19 | H24 | 106.7° | 109.5° |
| C19 | C20 | O3 | 119.8° | 119.6° |
| C19 | C20 | N3 | 117.0° | 120.8° |
| C21 | C19 | H24 | 107.0° | 109.5° |
| C19 | C21 | O4 | 112.6° | 109.5° |
| C19 | C21 | H25 | 108.7° | 109.5° |
| C19 | C21 | H26 | 108.7° | 109.4° |
| O3 | C20 | N3 | 123.2° | 119.6° |
| O4 | C21 | H25 | 108.7° | 109.5° |
| O4 | C21 | H26 | 108.7° | 109.4° |
| C21 | O4 | C36 | 118.6° | 116.9° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| C22 | N3 | C26 | 106.0° | 108.5° |
| N3 | C22 | C23 | 113.0° | 109.0° |
| N3 | C22 | C24 | 106.0° | 107.1° |
| N3 | C22 | H27 | 109.8° | 109.6° |
| C22 | N3 | C20 | 132.8° | 125.2° |
| N3 | C26 | C25 | 103.3° | 107.6° |
| N3 | C26 | H32 | 111.0° | 109.8° |
| N3 | C26 | H33 | 111.0° | 109.8° |
| C26 | N3 | C20 | 121.2° | 126.2° |
| C23 | C22 | C24 | 108.6° | 111.5° |
| C23 | C22 | H27 | 108.9° | 110.1° |
| C22 | C23 | O5 | 114.8° | 118.1° |
| C22 | C23 | N4 | 123.2° | 123.7° |
| C24 | C22 | H27 | 110.5° | 109.4° |
| C22 | C24 | C25 | 102.5° | 104.0° |
| C22 | C24 | H28 | 111.2° | 110.5° |
| C22 | C24 | H29 | 111.2° | 110.5° |
| O5 | C23 | N4 | 122.0° | 118.2° |
| C25 | C24 | H28 | 111.2° | 110.5° |
| C25 | C24 | H29 | 111.2° | 110.5° |
| C24 | C25 | C26 | 104.4° | 106.5° |
| C24 | C25 | H30 | 110.7° | 110.1° |
| C24 | C25 | H31 | 110.7° | 110.1° |
| H28 | C24 | H29 | 109.4° | 110.6° |
| C26 | C25 | H30 | 110.7° | 110.1° |
| C26 | C25 | H31 | 110.7° | 110.1° |
| C25 | C26 | H32 | 111.0° | 109.9° |
| C25 | C26 | H33 | 111.0° | 109.8° |
| H30 | C25 | H31 | 109.5° | 109.9° |
| H32 | C26 | H33 | 109.5° | 109.8° |
| O6 | C27 | C28 | 120.5° | 120.9° |
| O6 | C27 | N5 | 121.9° | 120.9° |
| C27 | C28 | N4 | 115.4° | 109.9° |
| C27 | C28 | C29 | 109.1° | 110.1° |
| C27 | C28 | H34 | 108.0° | 108.8° |
| C28 | C27 | N5 | 117.6° | 118.3° |
| C28 | N4 | C31 | 118.2° | 119.3° |
| N4 | C28 | C29 | 107.0° | 109.1° |
| N4 | C28 | H34 | 108.7° | 109.3° |
| C28 | N4 | C23 | 127.0° | 119.4° |
| N4 | C31 | C30 | 109.9° | 109.3° |
| N4 | C31 | H39 | 109.4° | 109.5° |
| N4 | C31 | H40 | 109.4° | 109.5° |
| C31 | N4 | C23 | 114.5° | 121.3° |
| C28 | C29 | C32 | 111.4° | 109.6° |
| C29 | C28 | H34 | 108.6° | 109.7° |
| C28 | C29 | H35 | 109.0° | 109.4° |
| C28 | C29 | H36 | 109.0° | 109.4° |
| C29 | C32 | C30 | 123.2° | 112.4° |
| C32 | C29 | H35 | 109.0° | 109.5° |
| C32 | C29 | H36 | 109.0° | 109.4° |
| C29 | C32 | H41 | 105.9° | 108.9° |
| C29 | C32 | H42 | 106.0° | 108.9° |
| C31 | C30 | C32 | 116.0° | 113.3° |
| C31 | C30 | H37 | 107.8° | 108.7° |
| C31 | C30 | H38 | 107.8° | 108.7° |
| C30 | C31 | H39 | 109.4° | 109.5° |
| C30 | C31 | H40 | 109.4° | 109.4° |
| C32 | C30 | H37 | 107.8° | 108.7° |
| C32 | C30 | H38 | 107.8° | 108.7° |
| C30 | C32 | H41 | 105.9° | 108.9° |
| C30 | C32 | H42 | 105.9° | 108.9° |
| H35 | C29 | H36 | 109.5° | 109.4° |
| H37 | C30 | H38 | 109.4° | 108.6° |
| H39 | C31 | H40 | 109.5° | 109.6° |
| H41 | C32 | H42 | 109.5° | 108.8° |
| C33 | N5 | H43 | 118.2° | 122.7° |
| N5 | C33 | C34 | 116.6° | 108.6° |
| N5 | C33 | C35 | 106.8° | 109.6° |
| N5 | C33 | H44 | 107.6° | 109.6° |
| C33 | N5 | C27 | 123.6° | 114.6° |
| H43 | N5 | C27 | 118.2° | 122.7° |
| C34 | C33 | C35 | 111.9° | 109.6° |
| C34 | C33 | H44 | 106.6° | 109.7° |
| C33 | C34 | O7 | 118.7° | 120.0° |
| C33 | C34 | N6 | 121.8° | 120.1° |
| C35 | C33 | H44 | 106.8° | 109.8° |
| C33 | C35 | H45 | 109.5° | 109.5° |
| C33 | C35 | H46 | 109.5° | 109.4° |
| C33 | C35 | H47 | 109.5° | 109.5° |
| O7 | C34 | N6 | 119.5° | 119.9° |
| H45 | C35 | H46 | 109.4° | 109.5° |
| H45 | C35 | H47 | 109.4° | 109.4° |
| H46 | C35 | H47 | 109.5° | 109.5° |
| O8 | C36 | C37 | 121.0° | 120.0° |
| O8 | C36 | O4 | 125.9° | 120.1° |
| C36 | C37 | N6 | 114.8° | 110.1° |
| C36 | C37 | C38 | 113.6° | 109.8° |
| C36 | C37 | H48 | 107.6° | 109.6° |
| C37 | C36 | O4 | 113.1° | 119.9° |
| C37 | N6 | C39 | 109.5° | 109.4° |
| N6 | C37 | C38 | 104.4° | 108.1° |
| N6 | C37 | H48 | 108.4° | 109.7° |
| C37 | N6 | C34 | 129.6° | 124.8° |
| N6 | C39 | C41 | 105.2° | 107.6° |
| N6 | C39 | H51 | 110.5° | 109.9° |
| N6 | C39 | H52 | 110.5° | 109.9° |
| C39 | N6 | C34 | 120.9° | 125.8° |
| C38 | C37 | H48 | 107.8° | 109.5° |
| C37 | C38 | C41 | 103.8° | 106.3° |
| C37 | C38 | H49 | 110.9° | 110.1° |
| C37 | C38 | H50 | 110.9° | 110.1° |
| C41 | C38 | H49 | 110.9° | 110.1° |
| C41 | C38 | H50 | 110.9° | 110.1° |
| C38 | C41 | C39 | 105.5° | 105.1° |
| C38 | C41 | C40 | 110.5° | 110.3° |
| C38 | C41 | H56 | 109.5° | 110.3° |
| H49 | C38 | H50 | 109.5° | 110.1° |
| C41 | C39 | H51 | 110.5° | 109.9° |
| C41 | C39 | H52 | 110.5° | 109.8° |
| C39 | C41 | C40 | 112.1° | 110.3° |
| C39 | C41 | H56 | 109.5° | 110.3° |
| H51 | C39 | H52 | 109.5° | 109.9° |
| C41 | C40 | H53 | 109.5° | 109.5° |
| C41 | C40 | H54 | 109.4° | 109.5° |
| C41 | C40 | H55 | 109.5° | 109.5° |
| C40 | C41 | H56 | 109.6° | 110.4° |
| H53 | C40 | H54 | 109.5° | 109.5° |
| H53 | C40 | H55 | 109.4° | 109.4° |
| H54 | C40 | H55 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 121.5° | 120.0° |
| C2 | C1 | C6 | H1 | 119.6° | 120.0° |
| C2 | C1 | C7 | H1 | 120.1° | 120.0° |
| C1 | C2 | C3 | H2 | 120.2° | 120.0° |
| C1 | C2 | C3 | H3 | 120.1° | 120.1° |
| C1 | C2 | H2 | H3 | 119.5° | 120.0° |
| C1 | C2 | C3 | C4 | 55.8° | 60.0° |
| C1 | C2 | C3 | H4 | 64.6° | 60.0° |
| C1 | C2 | C3 | H5 | 176.1° | 180.0° |
| C2 | C1 | C6 | C5 | 58.8° | 60.0° |
| C2 | C1 | C6 | H10 | 61.4° | 60.0° |
| C2 | C1 | C6 | H11 | 179.0° | 180.0° |
| C2 | C1 | C7 | C8 | 65.9° | 175.0° |
| C2 | C1 | C7 | H12 | 174.0° | 64.9° |
| C2 | C1 | C7 | H13 | 54.3° | 55.0° |
| C6 | C1 | C7 | H1 | 119.0° | 120.0° |
| C6 | C1 | C2 | C3 | 59.5° | 60.0° |
| C6 | C1 | C2 | H2 | 179.7° | 180.0° |
| C6 | C1 | C2 | H3 | 60.6° | 60.0° |
| C1 | C6 | C5 | C4 | 54.6° | 60.0° |
| C1 | C6 | C5 | H10 | 120.2° | 120.0° |
| C1 | C6 | C5 | H11 | 120.2° | 120.0° |
| C1 | C6 | C5 | H8 | 65.8° | 60.0° |
| C1 | C6 | C5 | H9 | 175.1° | 180.0° |
| C1 | C6 | H10 | H11 | 119.4° | 120.0° |
| C6 | C1 | C7 | C8 | 173.2° | 65.0° |
| C6 | C1 | C7 | H12 | 53.1° | 55.0° |
| C6 | C1 | C7 | H13 | 66.7° | 175.0° |
| C7 | C1 | C2 | C3 | 179.8° | 180.0° |
| C7 | C1 | C2 | H2 | 60.0° | 60.0° |
| C7 | C1 | C2 | H3 | 59.7° | 59.9° |
| C7 | C1 | C6 | C5 | 179.8° | 180.0° |
| C7 | C1 | C6 | H10 | 60.1° | 60.0° |
| C7 | C1 | C6 | H11 | 59.6° | 60.0° |
| C1 | C7 | C8 | H12 | 120.1° | 120.0° |
| C1 | C7 | C8 | H13 | 120.1° | 120.0° |
| C1 | C7 | H12 | H13 | 119.6° | 120.0° |
| C1 | C7 | C8 | C9 | 127.7° | 180.0° |
| C1 | C7 | C8 | H14 | 110.5° | 60.0° |
| C1 | C7 | C8 | H15 | 5.8° | 60.0° |
| H1 | C1 | C2 | C3 | 60.1° | 60.0° |
| H1 | C1 | C2 | H2 | 60.0° | 60.0° |
| H1 | C1 | C2 | H3 | 179.7° | 180.0° |
| H1 | C1 | C6 | C5 | 60.8° | 60.0° |
| H1 | C1 | C6 | H10 | 179.0° | 180.0° |
| H1 | C1 | C6 | H11 | 59.4° | 60.0° |
| H1 | C1 | C7 | C8 | 54.2° | 55.0° |
| H1 | C1 | C7 | H12 | 65.9° | 175.0° |
| H1 | C1 | C7 | H13 | 174.3° | 65.0° |
| C3 | C2 | H2 | H3 | 119.5° | 120.0° |
| C2 | C3 | C4 | H4 | 120.4° | 120.1° |
| C2 | C3 | C4 | H5 | 120.4° | 120.0° |
| C2 | C3 | H4 | H5 | 118.9° | 120.0° |
| C2 | C3 | C4 | C5 | 51.3° | 60.0° |
| C2 | C3 | C4 | H6 | 171.8° | 180.0° |
| C2 | C3 | C4 | H7 | 69.1° | 60.0° |
| H2 | C2 | C3 | C4 | 175.9° | 180.0° |
| H2 | C2 | C3 | H4 | 55.5° | 60.0° |
| H2 | C2 | C3 | H5 | 63.7° | 60.0° |
| H3 | C2 | C3 | C4 | 64.4° | 60.0° |
| H3 | C2 | C3 | H4 | 175.3° | 179.9° |
| H3 | C2 | C3 | H5 | 56.0° | 60.0° |
| C4 | C3 | H4 | H5 | 118.9° | 120.0° |
| C3 | C4 | C5 | H6 | 120.4° | 120.0° |
| C3 | C4 | C5 | H7 | 120.4° | 120.0° |
| C3 | C4 | H6 | H7 | 118.7° | 120.0° |
| C3 | C4 | C5 | C6 | 50.7° | 59.9° |
| C3 | C4 | C5 | H8 | 69.7° | 60.0° |
| C3 | C4 | C5 | H9 | 171.1° | 180.0° |
| H4 | C3 | C4 | C5 | 69.0° | 60.1° |
| H4 | C3 | C4 | H6 | 51.4° | 59.9° |
| H4 | C3 | C4 | H7 | 170.5° | 179.9° |
| H5 | C3 | C4 | C5 | 171.7° | 180.0° |
| H5 | C3 | C4 | H6 | 67.8° | 60.0° |
| H5 | C3 | C4 | H7 | 51.3° | 60.0° |
| C5 | C4 | H6 | H7 | 118.7° | 120.0° |
| C4 | C5 | C6 | H8 | 120.4° | 119.9° |
| C4 | C5 | C6 | H9 | 120.4° | 120.0° |
| C4 | C5 | H8 | H9 | 118.8° | 120.0° |
| C4 | C5 | C6 | H10 | 65.6° | 60.1° |
| C4 | C5 | C6 | H11 | 174.8° | 180.0° |
| H6 | C4 | C5 | C6 | 171.2° | 180.0° |
| H6 | C4 | C5 | H8 | 50.7° | 60.0° |
| H6 | C4 | C5 | H9 | 68.4° | 60.0° |
| H7 | C4 | C5 | C6 | 69.7° | 60.1° |
| H7 | C4 | C5 | H8 | 169.9° | 180.0° |
| H7 | C4 | C5 | H9 | 50.7° | 60.0° |
| C6 | C5 | H8 | H9 | 118.7° | 120.1° |
| C5 | C6 | H10 | H11 | 119.5° | 119.9° |
| H8 | C5 | C6 | H10 | 174.0° | 180.0° |
| H8 | C5 | C6 | H11 | 54.4° | 60.0° |
| H9 | C5 | C6 | H10 | 54.9° | 60.0° |
| H9 | C5 | C6 | H11 | 64.8° | 60.0° |
| C8 | C7 | H12 | H13 | 119.6° | 120.0° |
| C7 | C8 | C9 | H14 | 121.9° | 120.1° |
| C7 | C8 | C9 | H15 | 121.9° | 120.0° |
| C7 | C8 | H14 | H15 | 113.8° | 120.0° |
| C7 | C8 | C9 | O1 | 80.9° | 0.0° |
| C7 | C8 | C9 | N1 | 106.3° | 180.0° |
| H12 | C7 | C8 | C9 | 7.6° | 60.0° |
| H12 | C7 | C8 | H14 | 129.4° | 180.0° |
| H12 | C7 | C8 | H15 | 114.3° | 60.0° |
| H13 | C7 | C8 | C9 | 112.2° | 60.0° |
| H13 | C7 | C8 | H14 | 9.7° | 60.0° |
| H13 | C7 | C8 | H15 | 126.0° | 180.0° |
| C9 | C8 | H14 | H15 | 113.8° | 120.0° |
| C8 | C9 | O1 | N1 | 172.1° | 179.9° |
| C8 | C9 | N1 | C11 | 170.5° | 180.0° |
| C8 | C9 | N1 | H16 | 9.5° | 0.1° |
| H14 | C8 | C9 | O1 | 157.3° | 120.0° |
| H14 | C8 | C9 | N1 | 15.6° | 59.9° |
| H15 | C8 | C9 | O1 | 41.0° | 120.0° |
| H15 | C8 | C9 | N1 | 131.8° | 60.0° |
| O1 | C9 | N1 | C11 | 2.7° | 0.1° |
| O1 | C9 | N1 | H16 | 177.3° | 180.0° |
| O2 | C10 | C11 | N2 | 178.8° | 179.9° |
| O2 | C10 | C11 | N1 | 122.3° | 0.0° |
| O2 | C10 | C11 | C12 | 1.0° | 120.0° |
| O2 | C10 | C11 | H17 | 119.9° | 120.0° |
| O2 | C10 | N2 | C19 | 0.3° | 0.0° |
| O2 | C10 | N2 | H23 | 179.7° | 180.0° |
| C10 | C11 | N1 | C12 | 114.5° | 120.0° |
| C10 | C11 | N1 | H17 | 116.4° | 120.0° |
| C10 | C11 | C12 | H17 | 118.9° | 120.0° |
| C10 | C11 | C12 | C13 | 147.2° | 175.0° |
| C10 | C11 | N1 | H16 | 73.5° | 24.9° |
| C10 | C11 | C12 | H18 | 91.5° | 65.0° |
| C10 | C11 | C12 | H19 | 26.0° | 55.0° |
| C11 | C10 | N2 | C19 | 178.5° | 180.0° |
| C11 | C10 | N2 | H23 | 1.5° | 0.1° |
| C10 | C11 | N1 | C9 | 106.5° | 155.0° |
| N1 | C11 | C12 | H17 | 130.0° | 120.0° |
| N1 | C11 | C12 | C13 | 101.6° | 65.0° |
| C11 | N1 | H16 | C9 | 180.0° | 179.9° |
| N1 | C11 | C12 | H18 | 19.6° | 55.0° |
| N1 | C11 | C12 | H19 | 137.1° | 175.0° |
| N1 | C11 | C10 | N2 | 56.5° | 180.0° |
| F1 | C17 | C15 | C13 | 179.8° | 180.0° |
| F1 | C17 | C14 | C15 | 179.9° | 179.9° |
| F1 | C17 | C14 | C18 | 179.8° | 179.7° |
| F1 | C17 | C14 | H20 | 0.3° | 0.1° |
| F1 | C17 | C15 | H21 | 0.2° | 0.1° |
| F2 | C18 | C16 | C13 | 179.9° | 179.7° |
| F2 | C18 | C14 | C17 | 179.9° | 180.0° |
| F2 | C18 | C14 | C16 | 180.0° | 179.8° |
| F2 | C18 | C14 | H20 | 0.1° | 0.2° |
| F2 | C18 | C16 | H22 | 0.1° | 0.3° |
| C11 | C12 | C13 | H18 | 121.2° | 120.1° |
| C11 | C12 | C13 | H19 | 121.3° | 120.0° |
| C11 | C12 | C13 | C15 | 117.2° | 90.0° |
| C11 | C12 | C13 | C16 | 62.9° | 90.2° |
| C12 | C11 | N1 | H16 | 41.0° | 95.1° |
| C11 | C12 | H18 | H19 | 116.1° | 120.0° |
| C12 | C11 | N1 | C9 | 139.0° | 85.0° |
| C12 | C11 | C10 | N2 | 179.8° | 60.0° |
| C12 | C13 | C15 | C16 | 179.9° | 179.8° |
| C12 | C13 | C15 | C17 | 180.0° | 180.0° |
| C12 | C13 | C16 | C18 | 180.0° | 180.0° |
| C13 | C12 | C11 | H17 | 28.3° | 54.9° |
| C13 | C12 | H18 | H19 | 116.1° | 119.9° |
| C12 | C13 | C15 | H21 | 0.0° | 0.0° |
| C12 | C13 | C16 | H22 | 0.0° | 0.0° |
| C13 | C15 | C17 | C14 | 0.0° | 0.0° |
| C13 | C15 | C17 | H21 | 180.0° | 180.0° |
| C15 | C13 | C16 | C18 | 0.1° | 0.3° |
| C15 | C13 | C12 | H18 | 4.0° | 30.1° |
| C15 | C13 | C12 | H19 | 121.5° | 150.0° |
| C15 | C13 | C16 | H22 | 179.9° | 179.7° |
| C13 | C16 | C18 | C14 | 0.0° | 0.1° |
| C16 | C13 | C15 | C17 | 0.1° | 0.3° |
| C13 | C16 | C18 | H22 | 180.0° | 180.0° |
| C16 | C13 | C12 | H18 | 175.9° | 149.7° |
| C16 | C13 | C12 | H19 | 58.3° | 29.7° |
| C16 | C13 | C15 | H21 | 179.9° | 179.8° |
| C17 | C14 | C18 | H20 | 180.0° | 179.9° |
| C17 | C14 | C18 | C16 | 0.1° | 0.2° |
| C14 | C17 | C15 | H21 | 180.0° | 180.0° |
| C18 | C14 | C17 | C15 | 0.1° | 0.2° |
| C14 | C18 | C16 | H22 | 180.0° | 179.9° |
| C15 | C17 | C14 | H20 | 179.9° | 180.0° |
| C16 | C18 | C14 | H20 | 179.9° | 180.0° |
| H16 | N1 | C11 | H17 | 170.2° | 145.0° |
| H17 | C11 | C12 | H18 | 149.6° | 175.0° |
| H17 | C11 | C12 | H19 | 92.9° | 65.0° |
| H17 | C11 | N1 | C9 | 9.9° | 35.0° |
| H17 | C11 | C10 | N2 | 61.3° | 60.0° |
| C19 | N2 | H23 | C10 | 180.0° | 180.0° |
| N2 | C19 | C20 | C21 | 126.7° | 120.0° |
| N2 | C19 | C20 | H24 | 120.8° | 120.0° |
| N2 | C19 | C21 | H24 | 119.9° | 120.0° |
| N2 | C19 | C20 | O3 | 38.5° | 52.6° |
| N2 | C19 | C21 | O4 | 53.0° | 61.2° |
| N2 | C19 | C21 | H25 | 67.5° | 178.7° |
| N2 | C19 | C21 | H26 | 173.4° | 58.7° |
| N2 | C19 | C20 | N3 | 142.2° | 127.3° |
| H23 | N2 | C19 | C20 | 58.1° | 25.0° |
| H23 | N2 | C19 | C21 | 62.3° | 95.0° |
| H23 | N2 | C19 | H24 | 178.3° | 145.0° |
| C20 | C19 | C21 | H24 | 112.2° | 120.0° |
| C19 | C20 | O3 | N3 | 179.3° | 179.9° |
| C20 | C19 | C21 | O4 | 179.1° | 58.8° |
| C20 | C19 | C21 | H25 | 60.4° | 61.2° |
| C20 | C19 | C21 | H26 | 58.7° | 178.7° |
| C19 | C20 | N3 | C22 | 0.8° | 172.1° |
| C19 | C20 | N3 | C26 | 179.0° | 7.0° |
| C20 | C19 | N2 | C10 | 121.9° | 155.0° |
| C21 | C19 | C20 | O3 | 88.3° | 67.4° |
| C19 | C21 | O4 | H25 | 120.5° | 120.0° |
| C19 | C21 | O4 | H26 | 120.5° | 119.9° |
| C19 | C21 | H25 | H26 | 118.6° | 120.0° |
| C19 | C21 | O4 | C36 | 110.8° | 161.6° |
| C21 | C19 | N2 | C10 | 117.6° | 85.0° |
| C21 | C19 | C20 | N3 | 91.1° | 112.6° |
| H24 | C19 | C20 | O3 | 159.3° | 172.6° |
| H24 | C19 | C21 | O4 | 66.9° | 178.8° |
| H24 | C19 | C21 | H25 | 172.6° | 58.7° |
| H24 | C19 | C21 | H26 | 53.5° | 61.3° |
| H24 | C19 | N2 | C10 | 1.7° | 35.0° |
| H24 | C19 | C20 | N3 | 21.3° | 7.4° |
| O3 | C20 | N3 | C22 | 179.9° | 7.9° |
| O3 | C20 | N3 | C26 | 0.3° | 173.0° |
| O4 | C21 | H25 | H26 | 118.5° | 120.0° |
| C21 | O4 | C36 | O8 | 0.5° | 0.2° |
| C21 | O4 | C36 | C37 | 179.2° | 179.8° |
| H25 | C21 | O4 | C36 | 128.7° | 78.4° |
| H26 | C21 | O4 | C36 | 9.6° | 41.6° |
| C22 | N3 | C26 | C20 | 179.9° | 179.2° |
| N3 | C22 | C23 | C24 | 117.4° | 118.0° |
| N3 | C22 | C23 | H27 | 122.2° | 120.3° |
| N3 | C22 | C24 | H27 | 118.9° | 118.8° |
| N3 | C22 | C23 | O5 | 45.7° | 12.1° |
| N3 | C22 | C24 | C25 | 23.9° | 24.3° |
| N3 | C22 | C24 | H28 | 95.0° | 94.3° |
| N3 | C22 | C24 | H29 | 142.7° | 142.9° |
| C22 | N3 | C26 | C25 | 25.4° | 14.5° |
| C22 | N3 | C26 | H32 | 144.4° | 105.0° |
| C22 | N3 | C26 | H33 | 93.6° | 134.1° |
| N3 | C22 | C23 | N4 | 134.8° | 168.0° |
| C26 | N3 | C22 | C23 | 118.0° | 145.3° |
| C26 | N3 | C22 | C24 | 0.9° | 24.6° |
| C26 | N3 | C22 | H27 | 120.3° | 94.1° |
| N3 | C26 | C25 | C24 | 41.3° | 1.1° |
| N3 | C26 | C25 | H32 | 119.0° | 119.5° |
| N3 | C26 | C25 | H33 | 119.0° | 119.6° |
| N3 | C26 | C25 | H30 | 160.4° | 120.4° |
| N3 | C26 | C25 | H31 | 77.9° | 118.2° |
| N3 | C26 | H32 | H33 | 122.8° | 120.9° |
| C23 | C22 | C24 | H27 | 119.4° | 122.1° |
| C22 | C23 | O5 | N4 | 179.6° | 179.9° |
| C23 | C22 | C24 | C25 | 145.6° | 143.4° |
| C23 | C22 | C24 | H28 | 26.7° | 24.8° |
| C23 | C22 | C24 | H29 | 95.5° | 98.0° |
| C22 | C23 | N4 | C28 | 1.2° | 158.9° |
| C22 | C23 | N4 | C31 | 171.8° | 21.8° |
| C23 | C22 | N3 | C20 | 62.1° | 34.0° |
| C24 | C22 | C23 | O5 | 71.7° | 130.1° |
| C22 | C24 | C25 | H28 | 118.9° | 118.6° |
| C22 | C24 | C25 | H29 | 118.9° | 118.6° |
| C22 | C24 | H28 | H29 | 123.2° | 122.7° |
| C22 | C24 | C25 | C26 | 40.3° | 15.2° |
| C22 | C24 | C25 | H30 | 159.5° | 134.5° |
| C22 | C24 | C25 | H31 | 78.9° | 104.1° |
| C24 | C22 | C23 | N4 | 107.9° | 50.0° |
| C24 | C22 | N3 | C20 | 179.0° | 154.7° |
| H27 | C22 | C23 | O5 | 167.9° | 108.2° |
| H27 | C22 | C24 | C25 | 95.1° | 94.5° |
| H27 | C22 | C24 | H28 | 146.0° | 146.8° |
| H27 | C22 | C24 | H29 | 23.8° | 24.1° |
| H27 | C22 | C23 | N4 | 12.5° | 71.7° |
| H27 | C22 | N3 | C20 | 59.6° | 86.6° |
| O5 | C23 | N4 | C28 | 179.2° | 21.1° |
| O5 | C23 | N4 | C31 | 7.7° | 158.2° |
| C25 | C24 | H28 | H29 | 123.2° | 122.7° |
| C24 | C25 | C26 | H30 | 119.2° | 119.3° |
| C24 | C25 | C26 | H31 | 119.2° | 119.3° |
| C24 | C25 | H30 | H31 | 122.3° | 121.4° |
| C24 | C25 | C26 | H32 | 160.3° | 120.6° |
| C24 | C25 | C26 | H33 | 77.7° | 118.5° |
| H28 | C24 | C25 | C26 | 78.6° | 103.4° |
| H28 | C24 | C25 | H30 | 40.6° | 15.9° |
| H28 | C24 | C25 | H31 | 162.2° | 137.2° |
| H29 | C24 | C25 | C26 | 159.2° | 133.8° |
| H29 | C24 | C25 | H30 | 81.6° | 106.9° |
| H29 | C24 | C25 | H31 | 40.0° | 14.5° |
| C26 | C25 | H30 | H31 | 122.3° | 121.4° |
| C25 | C26 | H32 | H33 | 122.9° | 120.9° |
| C25 | C26 | N3 | C20 | 154.5° | 164.7° |
| H30 | C25 | C26 | H32 | 80.5° | 120.0° |
| H30 | C25 | C26 | H33 | 41.5° | 0.9° |
| H31 | C25 | C26 | H32 | 41.1° | 1.3° |
| H31 | C25 | C26 | H33 | 163.1° | 122.2° |
| H32 | C26 | N3 | C20 | 35.5° | 75.7° |
| H33 | C26 | N3 | C20 | 86.5° | 45.1° |
| O6 | C27 | C28 | N5 | 179.2° | 180.0° |
| O6 | C27 | C28 | N4 | 121.7° | 44.7° |
| O6 | C27 | C28 | C29 | 1.4° | 75.5° |
| O6 | C27 | C28 | H34 | 116.5° | 164.2° |
| O6 | C27 | N5 | C33 | 0.1° | 5.0° |
| O6 | C27 | N5 | H43 | 179.9° | 175.0° |
| C27 | C28 | N4 | C29 | 121.5° | 120.8° |
| C27 | C28 | N4 | H34 | 121.4° | 119.3° |
| C27 | C28 | N4 | C31 | 49.8° | 131.0° |
| C27 | C28 | C29 | H34 | 117.5° | 119.7° |
| C27 | C28 | C29 | C32 | 86.3° | 179.3° |
| C27 | C28 | C29 | H35 | 34.0° | 59.2° |
| C27 | C28 | C29 | H36 | 153.4° | 60.7° |
| C28 | C27 | N5 | C33 | 179.1° | 174.9° |
| C28 | C27 | N5 | H43 | 0.9° | 5.0° |
| C27 | C28 | N4 | C23 | 137.3° | 48.3° |
| C28 | N4 | C31 | C23 | 173.7° | 179.3° |
| N4 | C28 | C29 | H34 | 117.2° | 119.6° |
| N4 | C28 | C29 | C32 | 39.1° | 58.7° |
| C28 | N4 | C31 | C30 | 51.5° | 44.4° |
| N4 | C28 | C29 | H35 | 159.4° | 61.4° |
| N4 | C28 | C29 | H36 | 81.2° | 178.7° |
| C28 | N4 | C31 | H39 | 171.5° | 164.3° |
| C28 | N4 | C31 | H40 | 68.6° | 75.5° |
| N4 | C28 | C27 | N5 | 57.5° | 135.3° |
| C31 | N4 | C28 | C29 | 71.7° | 10.2° |
| N4 | C31 | C30 | H39 | 120.0° | 120.0° |
| N4 | C31 | C30 | H40 | 120.1° | 119.9° |
| N4 | C31 | C30 | C32 | 4.8° | 51.7° |
| C31 | N4 | C28 | H34 | 171.3° | 109.7° |
| N4 | C31 | C30 | H37 | 116.2° | 69.3° |
| N4 | C31 | C30 | H38 | 125.7° | 172.7° |
| N4 | C31 | H39 | H40 | 119.8° | 120.1° |
| C28 | C29 | C32 | H35 | 120.3° | 120.1° |
| C28 | C29 | C32 | H36 | 120.3° | 120.0° |
| C28 | C29 | C32 | C30 | 0.2° | 50.5° |
| C28 | C29 | H35 | H36 | 119.1° | 119.9° |
| C28 | C29 | C32 | H41 | 122.1° | 171.3° |
| C28 | C29 | C32 | H42 | 121.7° | 70.2° |
| C29 | C28 | N4 | C23 | 101.2° | 169.1° |
| C29 | C28 | C27 | N5 | 177.9° | 104.5° |
| C29 | C32 | C30 | C31 | 19.5° | 4.9° |
| C29 | C32 | C30 | H41 | 121.9° | 120.8° |
| C29 | C32 | C30 | H42 | 121.9° | 120.8° |
| C32 | C29 | C28 | H34 | 156.2° | 61.0° |
| C32 | C29 | H35 | H36 | 119.1° | 119.9° |
| C29 | C32 | C30 | H37 | 140.5° | 116.0° |
| C29 | C32 | C30 | H38 | 101.4° | 126.0° |
| C29 | C32 | H41 | H42 | 113.9° | 118.6° |
| C31 | C30 | C32 | H37 | 121.0° | 121.0° |
| C31 | C30 | C32 | H38 | 121.0° | 121.0° |
| C31 | C30 | H37 | H38 | 117.1° | 118.1° |
| C30 | C31 | H39 | H40 | 119.8° | 120.0° |
| C31 | C30 | C32 | H41 | 141.4° | 115.8° |
| C31 | C30 | C32 | H42 | 102.4° | 125.7° |
| C30 | C31 | N4 | C23 | 122.2° | 136.3° |
| C30 | C32 | C29 | H35 | 120.1° | 69.5° |
| C30 | C32 | C29 | H36 | 120.5° | 170.6° |
| C32 | C30 | H37 | H38 | 117.0° | 118.1° |
| C32 | C30 | C31 | H39 | 124.8° | 171.6° |
| C32 | C30 | C31 | H40 | 115.3° | 68.2° |
| C30 | C32 | H41 | H42 | 113.8° | 118.5° |
| H34 | C28 | C29 | H35 | 83.5° | 179.0° |
| H34 | C28 | C29 | H36 | 35.9° | 59.1° |
| H34 | C28 | N4 | C23 | 15.9° | 71.0° |
| H34 | C28 | C27 | N5 | 64.3° | 15.7° |
| H35 | C29 | C32 | H41 | 1.8° | 51.2° |
| H35 | C29 | C32 | H42 | 118.1° | 169.7° |
| H36 | C29 | C32 | H41 | 117.7° | 68.7° |
| H36 | C29 | C32 | H42 | 1.4° | 49.8° |
| H37 | C30 | C31 | H39 | 3.8° | 50.7° |
| H37 | C30 | C31 | H40 | 123.7° | 170.8° |
| H37 | C30 | C32 | H41 | 97.7° | 123.2° |
| H37 | C30 | C32 | H42 | 18.6° | 4.8° |
| H38 | C30 | C31 | H39 | 114.2° | 67.4° |
| H38 | C30 | C31 | H40 | 5.6° | 52.8° |
| H38 | C30 | C32 | H41 | 20.4° | 5.2° |
| H38 | C30 | C32 | H42 | 136.7° | 113.2° |
| H39 | C31 | N4 | C23 | 2.2° | 16.4° |
| H40 | C31 | N4 | C23 | 117.7° | 103.8° |
| C33 | N5 | H43 | C27 | 180.0° | 180.0° |
| N5 | C33 | C34 | C35 | 123.4° | 119.7° |
| N5 | C33 | C34 | H44 | 120.2° | 119.7° |
| N5 | C33 | C35 | H44 | 114.9° | 120.4° |
| N5 | C33 | C34 | O7 | 123.9° | 4.7° |
| N5 | C33 | C35 | H45 | 180.0° | 79.3° |
| N5 | C33 | C35 | H46 | 60.0° | 160.7° |
| N5 | C33 | C35 | H47 | 60.0° | 40.7° |
| N5 | C33 | C34 | N6 | 56.5° | 175.4° |
| H43 | N5 | C33 | C34 | 24.6° | 85.0° |
| H43 | N5 | C33 | C35 | 101.4° | 155.4° |
| H43 | N5 | C33 | H44 | 144.2° | 34.8° |
| C34 | C33 | C35 | H44 | 116.3° | 120.6° |
| C33 | C34 | O7 | N6 | 179.6° | 180.0° |
| C34 | C33 | C35 | H45 | 51.2° | 39.7° |
| C34 | C33 | C35 | H46 | 171.2° | 80.3° |
| C34 | C33 | C35 | H47 | 68.8° | 159.7° |
| C33 | C34 | N6 | C37 | 0.5° | 177.8° |
| C33 | C34 | N6 | C39 | 179.5° | 1.9° |
| C34 | C33 | N5 | C27 | 155.4° | 95.0° |
| C35 | C33 | C34 | O7 | 0.5° | 124.3° |
| C33 | C35 | H45 | H46 | 120.0° | 120.0° |
| C33 | C35 | H45 | H47 | 120.0° | 120.0° |
| C33 | C35 | H46 | H47 | 120.0° | 120.0° |
| C35 | C33 | N5 | C27 | 78.6° | 24.7° |
| C35 | C33 | C34 | N6 | 179.9° | 55.7° |
| H44 | C33 | C34 | O7 | 116.0° | 115.1° |
| H44 | C33 | C35 | H45 | 65.1° | 160.3° |
| H44 | C33 | C35 | H46 | 54.9° | 40.3° |
| H44 | C33 | C35 | H47 | 174.9° | 79.7° |
| H44 | C33 | N5 | C27 | 35.8° | 145.2° |
| H44 | C33 | C34 | N6 | 63.7° | 64.9° |
| O7 | C34 | N6 | C37 | 179.9° | 2.2° |
| O7 | C34 | N6 | C39 | 0.1° | 178.0° |
| H45 | C35 | H46 | H47 | 119.9° | 120.0° |
| O8 | C36 | C37 | O4 | 179.7° | 180.0° |
| O8 | C36 | C37 | N6 | 139.1° | 109.4° |
| O8 | C36 | C37 | C38 | 100.9° | 9.5° |
| O8 | C36 | C37 | H48 | 18.3° | 129.8° |
| C36 | C37 | N6 | C38 | 125.0° | 120.0° |
| C36 | C37 | N6 | H48 | 120.3° | 120.7° |
| C36 | C37 | N6 | C39 | 104.1° | 109.2° |
| C36 | C37 | C38 | H48 | 119.1° | 120.4° |
| C36 | C37 | C38 | C41 | 93.0° | 121.4° |
| C36 | C37 | C38 | H49 | 26.0° | 2.1° |
| C36 | C37 | C38 | H50 | 147.8° | 119.5° |
| C36 | C37 | N6 | C34 | 75.8° | 70.6° |
| C37 | N6 | C39 | C34 | 180.0° | 179.8° |
| N6 | C37 | C38 | H48 | 115.1° | 119.5° |
| N6 | C37 | C38 | C41 | 32.7° | 1.2° |
| N6 | C37 | C38 | H49 | 151.8° | 118.0° |
| N6 | C37 | C38 | H50 | 86.4° | 120.4° |
| C37 | N6 | C39 | C41 | 0.6° | 18.5° |
| C37 | N6 | C39 | H51 | 119.9° | 138.1° |
| C37 | N6 | C39 | H52 | 118.7° | 100.9° |
| N6 | C37 | C36 | O4 | 41.3° | 70.6° |
| C39 | N6 | C37 | C38 | 20.8° | 10.8° |
| C39 | N6 | C37 | H48 | 135.6° | 130.1° |
| N6 | C39 | C41 | C38 | 20.1° | 18.6° |
| N6 | C39 | C41 | H51 | 119.3° | 119.6° |
| N6 | C39 | C41 | H52 | 119.3° | 119.6° |
| N6 | C39 | H51 | H52 | 121.9° | 121.0° |
| N6 | C39 | C41 | C40 | 140.4° | 100.3° |
| N6 | C39 | C41 | H56 | 97.7° | 137.5° |
| C37 | C38 | C41 | H49 | 119.1° | 119.3° |
| C37 | C38 | C41 | H50 | 119.1° | 119.2° |
| C37 | C38 | H49 | H50 | 122.6° | 121.6° |
| C37 | C38 | C41 | C39 | 32.7° | 11.9° |
| C37 | C38 | C41 | C40 | 154.1° | 107.0° |
| C37 | C38 | C41 | H56 | 85.1° | 130.8° |
| C38 | C37 | C36 | O4 | 78.8° | 170.4° |
| C38 | C37 | N6 | C34 | 159.2° | 169.4° |
| H48 | C37 | C38 | C41 | 147.8° | 118.3° |
| H48 | C37 | C38 | H49 | 93.1° | 122.5° |
| H48 | C37 | C38 | H50 | 28.7° | 0.9° |
| H48 | C37 | C36 | O4 | 162.0° | 50.1° |
| H48 | C37 | N6 | C34 | 44.5° | 50.1° |
| C41 | C38 | H49 | H50 | 122.7° | 121.5° |
| C38 | C41 | C39 | C40 | 120.3° | 118.9° |
| C38 | C41 | C39 | H56 | 117.8° | 118.9° |
| C38 | C41 | C39 | H51 | 99.2° | 138.2° |
| C38 | C41 | C39 | H52 | 139.4° | 100.9° |
| C38 | C41 | C40 | H56 | 120.8° | 122.2° |
| C38 | C41 | C40 | H53 | 180.0° | 60.0° |
| C38 | C41 | C40 | H54 | 60.0° | 180.0° |
| C38 | C41 | C40 | H55 | 60.0° | 60.0° |
| H49 | C38 | C41 | C39 | 151.8° | 107.3° |
| H49 | C38 | C41 | C40 | 86.8° | 133.8° |
| H49 | C38 | C41 | H56 | 34.0° | 11.6° |
| H50 | C38 | C41 | C39 | 86.4° | 131.1° |
| H50 | C38 | C41 | C40 | 35.0° | 12.2° |
| H50 | C38 | C41 | H56 | 155.8° | 110.0° |
| C41 | C39 | H51 | H52 | 122.0° | 120.8° |
| C39 | C41 | C40 | H56 | 121.8° | 122.1° |
| C39 | C41 | C40 | H53 | 62.6° | 55.7° |
| C39 | C41 | C40 | H54 | 177.4° | 64.3° |
| C39 | C41 | C40 | H55 | 57.4° | 175.6° |
| C41 | C39 | N6 | C34 | 179.5° | 161.7° |
| H51 | C39 | C41 | C40 | 21.1° | 19.3° |
| H51 | C39 | C41 | H56 | 143.0° | 102.9° |
| H51 | C39 | N6 | C34 | 60.1° | 42.1° |
| H52 | C39 | C41 | C40 | 100.2° | 140.2° |
| H52 | C39 | C41 | H56 | 21.6° | 18.0° |
| H52 | C39 | N6 | C34 | 61.2° | 78.8° |
| C41 | C40 | H53 | H54 | 120.0° | 120.0° |
| C41 | C40 | H53 | H55 | 120.0° | 120.0° |
| C41 | C40 | H54 | H55 | 120.0° | 120.0° |
| H53 | C40 | H54 | H55 | 120.0° | 120.0° |
| H53 | C40 | C41 | H56 | 59.3° | 177.8° |
| H54 | C40 | C41 | H56 | 60.8° | 57.8° |
| H55 | C40 | C41 | H56 | 179.2° | 62.2° |
