A1LXV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C30 | sing | 1.43Å | 1.39Å | |
| O3 | C29 | sing | 1.43Å | 1.40Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C31 | N7 | sing | 1.47Å | 1.32Å | |
| C28 | N7 | sing | 1.47Å | 1.31Å | |
| C23 | N3 | sing | 1.47Å | 1.46Å | |
| N7 | C27 | sing | 1.47Å | 1.33Å | |
| N2 | N3 | sing | 1.40Å | 1.42Å | Aromatic |
| N2 | C10 | doub | 1.31Å | 1.37Å | Aromatic |
| N3 | C11 | sing | 1.35Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | doub | 1.38Å | 1.53Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.34Å | Aromatic |
| C10 | C12 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | sing | 1.41Å | 1.44Å | Aromatic |
| O7 | C13 | sing | 1.36Å | 1.43Å | |
| O7 | C46 | sing | 1.43Å | 1.39Å | |
| C17 | C16 | sing | 1.39Å | 1.33Å | Aromatic |
| C11 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C46 | sing | 1.51Å | 1.53Å | |
| C26 | N1 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | doub | 1.39Å | 1.53Å | Aromatic |
| C9 | C6 | sing | 1.48Å | 1.55Å | |
| C16 | N4 | sing | 1.40Å | 1.48Å | |
| C16 | C15 | doub | 1.39Å | 1.53Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | N5 | sing | 1.47Å | 1.48Å | |
| C19 | N4 | sing | 1.47Å | 1.46Å | |
| O4 | C32 | doub | 1.22Å | 1.27Å | |
| N1 | C5 | sing | 1.37Å | 1.46Å | Aromatic |
| N1 | C8 | sing | 1.38Å | 1.30Å | Aromatic |
| N4 | C22 | sing | 1.47Å | 1.44Å | |
| C14 | C15 | sing | 1.38Å | 1.34Å | Aromatic |
| C32 | O5 | sing | 1.35Å | 1.26Å | |
| C32 | C8 | sing | 1.47Å | 1.53Å | |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.37Å | Aromatic |
| O1 | S1 | doub | 1.42Å | 1.47Å | |
| C5 | C4 | sing | 1.41Å | 1.52Å | Aromatic |
| C8 | C7 | doub | 1.36Å | 1.29Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| N5 | S1 | sing | 1.66Å | 1.73Å | |
| N5 | C21 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| S1 | O2 | doub | 1.42Å | 1.47Å | |
| S1 | N6 | sing | 1.66Å | 1.72Å | |
| C7 | C4 | sing | 1.42Å | 1.43Å | Aromatic |
| C7 | C33 | sing | 1.51Å | 1.57Å | |
| C4 | C3 | doub | 1.40Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.56Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| C25 | N6 | sing | 1.47Å | 1.46Å | |
| N6 | C24 | sing | 1.46Å | 1.45Å | |
| C35 | O6 | sing | 1.43Å | 1.44Å | |
| C41 | C40 | doub | 1.39Å | 1.55Å | Aromatic |
| C41 | C36 | sing | 1.37Å | 1.32Å | Aromatic |
| O6 | C36 | sing | 1.36Å | 1.42Å | |
| C40 | C39 | sing | 1.36Å | 1.59Å | Aromatic |
| C36 | C37 | doub | 1.41Å | 1.16Å | Aromatic |
| C37 | C38 | sing | 1.42Å | 1.53Å | Aromatic |
| C37 | C42 | sing | 1.40Å | 1.40Å | Aromatic |
| C39 | C38 | doub | 1.41Å | 1.40Å | Aromatic |
| C38 | C45 | sing | 1.41Å | 1.59Å | Aromatic |
| C42 | C43 | doub | 1.36Å | 1.14Å | Aromatic |
| C43 | C44 | sing | 1.39Å | 1.03Å | Aromatic |
| C45 | C44 | doub | 1.36Å | 1.21Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.08Å | 1.08Å | |
| C40 | H47 | sing | 1.08Å | 1.08Å | |
| C41 | H48 | sing | 1.08Å | 1.08Å | |
| C42 | H49 | sing | 1.08Å | 1.08Å | |
| C43 | H50 | sing | 1.08Å | 1.08Å | |
| C44 | H51 | sing | 1.08Å | 1.08Å | |
| C45 | H52 | sing | 1.08Å | 1.08Å | |
| C46 | H53 | sing | 1.09Å | 1.10Å | |
| C46 | H54 | sing | 1.09Å | 1.10Å | |
| O5 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | O3 | C29 | 113.5° | 113.7° |
| O3 | C30 | C31 | 114.5° | 109.3° |
| O3 | C30 | H37 | 108.2° | 109.4° |
| O3 | C30 | H36 | 108.2° | 109.5° |
| O3 | C29 | C28 | 113.6° | 109.3° |
| O3 | C29 | H35 | 108.4° | 109.5° |
| O3 | C29 | H34 | 108.4° | 109.6° |
| C30 | C31 | N7 | 112.2° | 109.2° |
| C31 | C30 | H37 | 108.2° | 109.6° |
| C31 | C30 | H36 | 108.2° | 109.5° |
| C30 | C31 | H38 | 108.8° | 109.5° |
| C30 | C31 | H39 | 108.8° | 109.5° |
| C29 | C28 | N7 | 112.0° | 109.3° |
| C29 | C28 | H33 | 108.8° | 109.5° |
| C29 | C28 | H32 | 108.8° | 109.6° |
| C28 | C29 | H35 | 108.4° | 109.5° |
| C28 | C29 | H34 | 108.4° | 109.5° |
| C31 | N7 | C28 | 110.4° | 110.7° |
| C31 | N7 | C27 | 109.8° | 111.0° |
| N7 | C31 | H38 | 108.8° | 109.5° |
| N7 | C31 | H39 | 108.8° | 109.6° |
| C28 | N7 | C27 | 111.1° | 111.0° |
| N7 | C28 | H33 | 108.9° | 109.5° |
| N7 | C28 | H32 | 108.9° | 109.5° |
| C23 | N3 | N2 | 125.4° | 125.9° |
| C23 | N3 | C11 | 126.7° | 125.9° |
| N3 | C23 | H20 | 109.5° | 109.4° |
| N3 | C23 | H19 | 109.5° | 109.5° |
| N3 | C23 | H21 | 109.4° | 109.5° |
| N7 | C27 | C26 | 109.3° | 109.5° |
| N7 | C27 | H31 | 109.5° | 109.5° |
| N7 | C27 | H30 | 109.5° | 109.5° |
| N3 | N2 | C10 | 108.2° | 108.5° |
| N2 | N3 | C11 | 107.9° | 108.2° |
| N2 | C10 | C12 | 125.2° | 125.9° |
| N2 | C10 | C9 | 107.4° | 108.1° |
| N3 | C11 | C9 | 108.1° | 107.6° |
| N3 | C11 | C46 | 127.4° | 126.2° |
| C27 | C26 | N1 | 111.8° | 109.5° |
| C27 | C26 | H29 | 108.9° | 109.5° |
| C27 | C26 | H28 | 108.9° | 109.5° |
| C26 | C27 | H31 | 109.5° | 109.4° |
| C26 | C27 | H30 | 109.5° | 109.5° |
| C17 | C18 | C13 | 119.5° | 120.0° |
| C18 | C17 | C16 | 120.4° | 120.0° |
| C18 | C17 | H9 | 119.8° | 120.0° |
| C17 | C18 | H10 | 120.3° | 120.0° |
| C18 | C13 | O7 | 119.9° | 120.0° |
| C18 | C13 | C14 | 120.4° | 120.0° |
| C13 | C18 | H10 | 120.3° | 120.0° |
| C12 | C10 | C9 | 127.4° | 125.9° |
| C10 | C12 | H5 | 109.5° | 109.5° |
| C10 | C12 | H6 | 109.5° | 109.5° |
| C10 | C12 | H4 | 109.5° | 109.5° |
| C10 | C9 | C11 | 108.4° | 107.5° |
| C10 | C9 | C6 | 126.8° | 126.2° |
| C13 | O7 | C46 | 116.3° | 117.0° |
| O7 | C13 | C14 | 119.7° | 120.0° |
| O7 | C46 | C11 | 105.0° | 109.5° |
| O7 | C46 | H53 | 110.6° | 109.4° |
| O7 | C46 | H54 | 110.6° | 109.5° |
| C17 | C16 | N4 | 120.5° | 120.0° |
| C17 | C16 | C15 | 119.9° | 119.9° |
| C16 | C17 | H9 | 119.8° | 120.0° |
| C9 | C11 | C46 | 124.4° | 126.2° |
| C11 | C9 | C6 | 124.7° | 126.3° |
| C11 | C46 | H53 | 110.6° | 109.5° |
| C11 | C46 | H54 | 110.6° | 109.5° |
| C26 | N1 | C5 | 121.8° | 125.6° |
| C26 | N1 | C8 | 119.0° | 125.6° |
| N1 | C26 | H29 | 108.9° | 109.5° |
| N1 | C26 | H28 | 108.9° | 109.5° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C13 | C14 | H7 | 120.2° | 120.0° |
| C9 | C6 | C5 | 121.1° | 120.2° |
| C9 | C6 | C1 | 119.5° | 120.2° |
| N4 | C16 | C15 | 119.5° | 120.0° |
| C16 | N4 | C19 | 119.3° | 111.0° |
| C16 | N4 | C22 | 120.1° | 111.0° |
| C16 | C15 | C14 | 120.0° | 120.0° |
| C16 | C15 | H8 | 120.0° | 120.0° |
| C19 | C20 | N5 | 108.8° | 108.5° |
| C20 | C19 | N4 | 109.9° | 109.3° |
| C20 | C19 | H12 | 109.4° | 109.4° |
| C20 | C19 | H11 | 109.4° | 109.5° |
| C19 | C20 | H13 | 109.6° | 109.6° |
| C19 | C20 | H14 | 109.6° | 109.6° |
| C20 | N5 | S1 | 119.3° | 120.9° |
| C20 | N5 | C21 | 120.5° | 118.3° |
| N5 | C20 | H13 | 109.7° | 109.7° |
| N5 | C20 | H14 | 109.7° | 109.6° |
| C19 | N4 | C22 | 120.5° | 111.3° |
| N4 | C19 | H12 | 109.3° | 109.5° |
| N4 | C19 | H11 | 109.4° | 109.5° |
| O4 | C32 | O5 | 121.1° | 120.0° |
| O4 | C32 | C8 | 118.0° | 120.0° |
| C5 | N1 | C8 | 119.2° | 108.8° |
| N1 | C5 | C6 | 142.5° | 133.2° |
| N1 | C5 | C4 | 98.6° | 107.5° |
| N1 | C8 | C32 | 127.4° | 125.5° |
| N1 | C8 | C7 | 102.2° | 109.1° |
| N4 | C22 | C21 | 110.9° | 109.3° |
| N4 | C22 | H17 | 109.1° | 109.5° |
| N4 | C22 | H18 | 109.1° | 109.5° |
| C15 | C14 | H7 | 120.1° | 120.0° |
| C14 | C15 | H8 | 120.0° | 120.0° |
| O5 | C32 | C8 | 120.9° | 120.0° |
| C32 | O5 | H56 | 109.5° | 117.0° |
| C32 | C8 | C7 | 130.4° | 125.4° |
| C5 | C6 | C1 | 119.3° | 119.6° |
| C6 | C5 | C4 | 118.9° | 119.3° |
| C6 | C1 | C2 | 123.2° | 120.5° |
| C6 | C1 | H1 | 118.4° | 119.7° |
| O1 | S1 | N5 | 110.6° | 106.4° |
| O1 | S1 | O2 | 100.6° | 123.1° |
| O1 | S1 | N6 | 111.1° | 106.4° |
| C5 | C4 | C7 | 101.2° | 107.0° |
| C5 | C4 | C3 | 119.7° | 119.8° |
| C8 | C7 | C4 | 118.8° | 107.7° |
| C8 | C7 | C33 | 120.6° | 126.1° |
| C22 | C21 | N5 | 110.2° | 108.6° |
| C22 | C21 | H16 | 109.3° | 109.6° |
| C22 | C21 | H15 | 109.3° | 109.6° |
| C21 | C22 | H17 | 109.1° | 109.5° |
| C21 | C22 | H18 | 109.1° | 109.5° |
| S1 | N5 | C21 | 120.1° | 120.9° |
| N5 | S1 | O2 | 111.7° | 106.4° |
| N5 | S1 | N6 | 110.4° | 107.2° |
| N5 | C21 | H16 | 109.3° | 109.6° |
| N5 | C21 | H15 | 109.3° | 109.8° |
| C1 | C2 | C3 | 119.7° | 120.8° |
| C2 | C1 | H1 | 118.4° | 119.8° |
| C1 | C2 | H2 | 120.2° | 119.6° |
| O2 | S1 | N6 | 112.1° | 106.4° |
| S1 | N6 | C25 | 120.6° | 120.0° |
| S1 | N6 | C24 | 119.0° | 120.0° |
| C4 | C7 | C33 | 120.6° | 126.2° |
| C7 | C4 | C3 | 139.2° | 133.3° |
| C7 | C33 | C34 | 109.9° | 109.4° |
| C7 | C33 | H41 | 109.4° | 109.5° |
| C7 | C33 | H40 | 109.4° | 109.5° |
| C4 | C3 | C2 | 119.2° | 120.0° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C3 | C2 | H2 | 120.2° | 119.6° |
| C2 | C3 | H3 | 120.4° | 120.0° |
| C33 | C34 | C35 | 111.3° | 109.4° |
| C34 | C33 | H41 | 109.4° | 109.5° |
| C34 | C33 | H40 | 109.4° | 109.5° |
| C33 | C34 | H43 | 109.0° | 109.5° |
| C33 | C34 | H42 | 109.0° | 109.5° |
| C34 | C35 | O6 | 109.5° | 109.5° |
| C35 | C34 | H43 | 109.0° | 109.5° |
| C35 | C34 | H42 | 109.0° | 109.5° |
| C34 | C35 | H44 | 109.5° | 109.5° |
| C34 | C35 | H45 | 109.5° | 109.5° |
| C25 | N6 | C24 | 119.0° | 120.0° |
| N6 | C25 | H25 | 109.5° | 109.4° |
| N6 | C25 | H26 | 109.5° | 109.5° |
| N6 | C25 | H27 | 109.5° | 109.5° |
| N6 | C24 | H22 | 109.5° | 109.5° |
| N6 | C24 | H24 | 109.5° | 109.4° |
| N6 | C24 | H23 | 109.4° | 109.5° |
| C35 | O6 | C36 | 118.7° | 117.0° |
| O6 | C35 | H44 | 109.5° | 109.5° |
| O6 | C35 | H45 | 109.5° | 109.5° |
| C40 | C41 | C36 | 122.0° | 120.9° |
| C41 | C40 | C39 | 114.0° | 121.1° |
| C41 | C40 | H47 | 123.0° | 119.5° |
| C40 | C41 | H48 | 119.0° | 119.5° |
| C41 | C36 | O6 | 118.6° | 120.2° |
| C41 | C36 | C37 | 125.5° | 119.6° |
| C36 | C41 | H48 | 119.0° | 119.6° |
| O6 | C36 | C37 | 115.9° | 120.3° |
| C40 | C39 | C38 | 112.9° | 119.8° |
| C40 | C39 | H46 | 123.5° | 120.1° |
| C39 | C40 | H47 | 123.0° | 119.5° |
| C36 | C37 | C38 | 123.1° | 119.4° |
| C36 | C37 | C42 | 128.9° | 121.3° |
| C38 | C37 | C42 | 108.0° | 119.3° |
| C37 | C38 | C39 | 122.5° | 119.3° |
| C37 | C38 | C45 | 109.6° | 119.4° |
| C37 | C42 | C43 | 128.1° | 119.7° |
| C37 | C42 | H49 | 116.0° | 120.2° |
| C39 | C38 | C45 | 127.8° | 121.3° |
| C38 | C39 | H46 | 123.5° | 120.1° |
| C38 | C45 | C44 | 116.6° | 119.6° |
| C38 | C45 | H52 | 121.7° | 120.2° |
| C42 | C43 | C44 | 129.5° | 121.0° |
| C43 | C42 | H49 | 116.0° | 120.2° |
| C42 | C43 | H50 | 115.3° | 119.5° |
| C43 | C44 | C45 | 128.1° | 121.0° |
| C44 | C43 | H50 | 115.2° | 119.5° |
| C43 | C44 | H51 | 115.9° | 119.5° |
| C45 | C44 | H51 | 115.9° | 119.5° |
| C44 | C45 | H52 | 121.7° | 120.2° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H4 | 109.4° | 109.5° |
| H6 | C12 | H4 | 109.5° | 109.4° |
| H12 | C19 | H11 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.8° |
| H16 | C21 | H15 | 109.5° | 109.6° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H20 | C23 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H19 | C23 | H21 | 109.5° | 109.5° |
| H22 | C24 | H24 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C24 | H23 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H27 | 109.4° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H29 | C26 | H28 | 109.5° | 109.4° |
| H31 | C27 | H30 | 109.5° | 109.5° |
| H33 | C28 | H32 | 109.5° | 109.5° |
| H35 | C29 | H34 | 109.5° | 109.5° |
| H37 | C30 | H36 | 109.5° | 109.5° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H41 | C33 | H40 | 109.4° | 109.5° |
| H43 | C34 | H42 | 109.5° | 109.5° |
| H44 | C35 | H45 | 109.5° | 109.4° |
| H53 | C46 | H54 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C30 | C31 | H37 | 120.8° | 119.9° |
| O3 | C30 | C31 | H36 | 120.7° | 120.0° |
| C30 | O3 | C29 | C28 | 38.5° | 58.6° |
| O3 | C30 | C31 | N7 | 48.0° | 56.9° |
| C30 | O3 | C29 | H35 | 159.1° | 61.3° |
| C30 | O3 | C29 | H34 | 82.2° | 178.6° |
| O3 | C30 | H37 | H36 | 117.7° | 120.0° |
| O3 | C30 | C31 | H38 | 168.4° | 176.8° |
| O3 | C30 | C31 | H39 | 72.4° | 63.1° |
| C29 | O3 | C30 | C31 | 37.1° | 58.7° |
| O3 | C29 | C28 | H35 | 120.6° | 119.9° |
| O3 | C29 | C28 | H34 | 120.6° | 120.0° |
| O3 | C29 | C28 | N7 | 51.5° | 56.9° |
| O3 | C29 | C28 | H33 | 68.9° | 63.1° |
| O3 | C29 | C28 | H32 | 171.8° | 176.8° |
| O3 | C29 | H35 | H34 | 118.1° | 120.2° |
| C29 | O3 | C30 | H37 | 83.7° | 178.6° |
| C29 | O3 | C30 | H36 | 157.8° | 61.3° |
| C30 | C31 | N7 | H38 | 120.4° | 119.9° |
| C30 | C31 | N7 | H39 | 120.4° | 119.9° |
| C30 | C31 | N7 | C28 | 60.4° | 58.6° |
| C30 | C31 | N7 | C27 | 176.7° | 177.6° |
| C31 | C30 | H37 | H36 | 117.7° | 120.2° |
| C30 | C31 | H38 | H39 | 118.8° | 120.1° |
| C29 | C28 | N7 | C31 | 62.2° | 58.6° |
| C29 | C28 | N7 | H33 | 120.4° | 120.0° |
| C29 | C28 | N7 | H32 | 120.3° | 120.0° |
| C29 | C28 | N7 | C27 | 175.7° | 177.6° |
| C29 | C28 | H33 | H32 | 118.8° | 120.2° |
| C28 | C29 | H35 | H34 | 118.1° | 120.0° |
| C31 | N7 | C28 | C27 | 122.1° | 123.7° |
| C31 | N7 | C27 | C26 | 160.0° | 66.4° |
| C31 | N7 | C27 | H31 | 40.0° | 173.7° |
| C31 | N7 | C27 | H30 | 80.1° | 53.6° |
| C31 | N7 | C28 | H33 | 58.1° | 61.3° |
| C31 | N7 | C28 | H32 | 177.4° | 178.6° |
| N7 | C31 | C30 | H37 | 72.7° | 176.8° |
| N7 | C31 | C30 | H36 | 168.7° | 63.1° |
| N7 | C31 | H38 | H39 | 118.8° | 120.2° |
| C28 | N7 | C27 | C26 | 77.6° | 170.0° |
| C28 | N7 | C27 | H31 | 162.4° | 50.1° |
| C28 | N7 | C27 | H30 | 42.4° | 70.0° |
| N7 | C28 | H33 | H32 | 118.9° | 120.0° |
| N7 | C28 | C29 | H35 | 172.1° | 63.1° |
| N7 | C28 | C29 | H34 | 69.2° | 176.9° |
| C28 | N7 | C31 | H38 | 179.2° | 178.6° |
| C28 | N7 | C31 | H39 | 60.0° | 61.3° |
| C23 | N3 | N2 | C11 | 179.7° | 179.7° |
| C23 | N3 | N2 | C10 | 178.8° | 180.0° |
| C23 | N3 | C11 | C9 | 178.8° | 179.8° |
| C23 | N3 | C11 | C46 | 0.6° | 0.1° |
| N3 | C23 | H20 | H19 | 120.0° | 120.0° |
| N3 | C23 | H20 | H21 | 120.0° | 120.0° |
| N3 | C23 | H19 | H21 | 120.0° | 120.0° |
| N7 | C27 | C26 | H31 | 120.0° | 120.0° |
| N7 | C27 | C26 | H30 | 120.0° | 120.1° |
| N7 | C27 | C26 | N1 | 157.5° | 174.6° |
| N7 | C27 | C26 | H29 | 82.2° | 54.6° |
| N7 | C27 | C26 | H28 | 37.1° | 65.4° |
| N7 | C27 | H31 | H30 | 120.1° | 120.1° |
| C27 | N7 | C28 | H33 | 64.0° | 62.4° |
| C27 | N7 | C28 | H32 | 55.3° | 57.6° |
| C27 | N7 | C31 | H38 | 56.3° | 57.7° |
| C27 | N7 | C31 | H39 | 62.9° | 62.4° |
| N3 | N2 | C10 | C12 | 179.6° | 180.0° |
| N3 | N2 | C10 | C9 | 0.6° | 0.3° |
| N2 | N3 | C11 | C9 | 0.8° | 0.1° |
| N2 | N3 | C11 | C46 | 179.1° | 179.8° |
| N2 | N3 | C23 | H20 | 0.0° | 90.1° |
| N2 | N3 | C23 | H19 | 120.0° | 149.9° |
| N2 | N3 | C23 | H21 | 120.0° | 29.9° |
| C10 | N2 | N3 | C11 | 0.9° | 0.2° |
| N2 | C10 | C12 | C9 | 178.8° | 179.6° |
| N2 | C10 | C9 | C11 | 0.1° | 0.3° |
| N2 | C10 | C9 | C6 | 179.7° | 179.8° |
| N2 | C10 | C12 | H5 | 0.0° | 95.4° |
| N2 | C10 | C12 | H6 | 120.0° | 24.6° |
| N2 | C10 | C12 | H4 | 120.0° | 144.6° |
| N3 | C11 | C9 | C10 | 0.5° | 0.1° |
| N3 | C11 | C46 | O7 | 40.2° | 90.2° |
| N3 | C11 | C9 | C46 | 178.3° | 179.9° |
| N3 | C11 | C9 | C6 | 179.8° | 179.9° |
| C11 | N3 | C23 | H20 | 179.6° | 90.2° |
| C11 | N3 | C23 | H19 | 60.4° | 29.8° |
| C11 | N3 | C23 | H21 | 59.6° | 149.8° |
| N3 | C11 | C46 | H53 | 159.5° | 149.9° |
| N3 | C11 | C46 | H54 | 79.1° | 29.8° |
| C27 | C26 | N1 | H29 | 120.3° | 120.0° |
| C27 | C26 | N1 | H28 | 120.3° | 120.0° |
| C27 | C26 | N1 | C5 | 110.3° | 95.3° |
| C27 | C26 | N1 | C8 | 70.9° | 84.6° |
| C27 | C26 | H29 | H28 | 118.9° | 120.0° |
| C26 | C27 | H31 | H30 | 120.1° | 120.0° |
| C17 | C18 | C13 | H10 | 180.0° | 180.0° |
| C17 | C18 | C13 | O7 | 179.2° | 179.7° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C17 | C18 | C13 | C14 | 0.0° | 0.0° |
| C18 | C17 | C16 | N4 | 178.3° | 180.0° |
| C18 | C17 | C16 | C15 | 0.6° | 0.0° |
| C18 | C13 | O7 | C14 | 179.2° | 179.7° |
| C18 | C13 | O7 | C46 | 161.2° | 0.3° |
| C13 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | C13 | C14 | C15 | 0.2° | 0.0° |
| C18 | C13 | C14 | H7 | 179.8° | 180.0° |
| C13 | C18 | C17 | H9 | 179.8° | 180.0° |
| C12 | C10 | C9 | C11 | 179.1° | 179.9° |
| C12 | C10 | C9 | C6 | 0.7° | 0.1° |
| C10 | C12 | H5 | H6 | 120.0° | 120.0° |
| C10 | C12 | H5 | H4 | 120.0° | 120.0° |
| C10 | C12 | H6 | H4 | 120.0° | 120.0° |
| C10 | C9 | C11 | C6 | 179.8° | 179.9° |
| C10 | C9 | C11 | C46 | 178.8° | 180.0° |
| C10 | C9 | C6 | C5 | 109.6° | 85.9° |
| C10 | C9 | C6 | C1 | 68.9° | 94.7° |
| C9 | C10 | C12 | H5 | 178.8° | 85.0° |
| C9 | C10 | C12 | H6 | 61.2° | 155.0° |
| C9 | C10 | C12 | H4 | 58.8° | 35.0° |
| C13 | O7 | C46 | C11 | 165.7° | 180.0° |
| O7 | C13 | C14 | C15 | 179.3° | 179.7° |
| O7 | C13 | C14 | H7 | 0.7° | 0.3° |
| O7 | C13 | C18 | H10 | 0.8° | 0.3° |
| C13 | O7 | C46 | H53 | 46.4° | 60.0° |
| C13 | O7 | C46 | H54 | 75.0° | 60.0° |
| O7 | C46 | C11 | C9 | 137.8° | 90.0° |
| O7 | C46 | C11 | H53 | 119.3° | 120.0° |
| O7 | C46 | C11 | H54 | 119.3° | 120.0° |
| C46 | O7 | C13 | C14 | 19.7° | 180.0° |
| O7 | C46 | H53 | H54 | 122.1° | 120.0° |
| C17 | C16 | N4 | C15 | 177.7° | 180.0° |
| C17 | C16 | N4 | C19 | 36.3° | 0.1° |
| C17 | C16 | N4 | C22 | 145.6° | 124.4° |
| C17 | C16 | C15 | C14 | 0.8° | 0.0° |
| C17 | C16 | C15 | H8 | 179.2° | 180.0° |
| C16 | C17 | C18 | H10 | 179.7° | 180.0° |
| C11 | C9 | C6 | C5 | 70.6° | 94.2° |
| C11 | C9 | C6 | C1 | 110.9° | 85.2° |
| C9 | C11 | C46 | H53 | 18.5° | 30.0° |
| C9 | C11 | C46 | H54 | 102.9° | 150.0° |
| C46 | C11 | C9 | C6 | 1.4° | 0.1° |
| C11 | C46 | H53 | H54 | 122.1° | 120.0° |
| C26 | N1 | C5 | C8 | 178.9° | 179.9° |
| C26 | N1 | C8 | C32 | 0.3° | 0.0° |
| C26 | N1 | C5 | C6 | 0.8° | 0.4° |
| C26 | N1 | C5 | C4 | 179.8° | 180.0° |
| C26 | N1 | C8 | C7 | 179.7° | 180.0° |
| N1 | C26 | H29 | H28 | 118.9° | 120.0° |
| N1 | C26 | C27 | H31 | 37.5° | 54.6° |
| N1 | C26 | C27 | H30 | 82.6° | 65.3° |
| C13 | C14 | C15 | C16 | 0.6° | 0.0° |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | H8 | 179.4° | 179.9° |
| C14 | C13 | C18 | H10 | 180.0° | 180.0° |
| C9 | C6 | C5 | N1 | 0.6° | 0.4° |
| C9 | C6 | C5 | C1 | 178.5° | 179.5° |
| C9 | C6 | C5 | C4 | 178.8° | 180.0° |
| C9 | C6 | C1 | C2 | 179.0° | 180.0° |
| C9 | C6 | C1 | H1 | 1.0° | 0.2° |
| C16 | N4 | C19 | C20 | 151.9° | 172.8° |
| C16 | N4 | C19 | C22 | 178.2° | 124.1° |
| N4 | C16 | C15 | C14 | 178.5° | 179.9° |
| C16 | N4 | C22 | C21 | 153.6° | 172.8° |
| N4 | C16 | C15 | H8 | 1.4° | 0.0° |
| N4 | C16 | C17 | H9 | 1.7° | 0.1° |
| C16 | N4 | C19 | H12 | 31.8° | 52.9° |
| C16 | N4 | C19 | H11 | 88.1° | 67.3° |
| C16 | N4 | C22 | H17 | 86.2° | 67.3° |
| C16 | N4 | C22 | H18 | 33.3° | 52.8° |
| C15 | C16 | N4 | C19 | 141.5° | 180.0° |
| C15 | C16 | N4 | C22 | 36.7° | 55.7° |
| C16 | C15 | C14 | H8 | 180.0° | 179.9° |
| C16 | C15 | C14 | H7 | 179.5° | 180.0° |
| C15 | C16 | C17 | H9 | 179.4° | 180.0° |
| C19 | C20 | N5 | H13 | 119.9° | 119.7° |
| C19 | C20 | N5 | H14 | 119.9° | 119.7° |
| C20 | C19 | N4 | H12 | 120.1° | 119.9° |
| C20 | C19 | N4 | H11 | 120.0° | 120.0° |
| C20 | C19 | N4 | C22 | 29.9° | 63.1° |
| C19 | C20 | N5 | S1 | 155.7° | 128.8° |
| C19 | C20 | N5 | C21 | 25.8° | 51.1° |
| C20 | C19 | H12 | H11 | 119.8° | 120.0° |
| C19 | C20 | H13 | H14 | 120.3° | 120.4° |
| N5 | C20 | C19 | N4 | 54.7° | 53.8° |
| C20 | N5 | S1 | O1 | 49.1° | 156.5° |
| C20 | N5 | C21 | C22 | 27.7° | 51.2° |
| C20 | N5 | S1 | C21 | 178.5° | 180.0° |
| C20 | N5 | S1 | O2 | 62.1° | 23.6° |
| C20 | N5 | S1 | N6 | 172.5° | 90.0° |
| N5 | C20 | C19 | H12 | 174.8° | 173.8° |
| N5 | C20 | C19 | H11 | 65.3° | 66.2° |
| N5 | C20 | H13 | H14 | 120.4° | 120.5° |
| C20 | N5 | C21 | H16 | 147.8° | 68.6° |
| C20 | N5 | C21 | H15 | 92.4° | 171.0° |
| C19 | N4 | C22 | C21 | 24.6° | 63.1° |
| N4 | C19 | H12 | H11 | 119.8° | 120.1° |
| N4 | C19 | C20 | H13 | 174.6° | 173.6° |
| N4 | C19 | C20 | H14 | 65.2° | 65.9° |
| C19 | N4 | C22 | H17 | 95.6° | 56.8° |
| C19 | N4 | C22 | H18 | 144.8° | 176.9° |
| O4 | C32 | C8 | N1 | 55.7° | 180.0° |
| O4 | C32 | O5 | C8 | 179.3° | 179.9° |
| O4 | C32 | C8 | C7 | 124.4° | 0.0° |
| O4 | C32 | O5 | H56 | 0.0° | 0.1° |
| C5 | N1 | C8 | C32 | 179.2° | 180.0° |
| N1 | C5 | C6 | C4 | 179.3° | 179.6° |
| N1 | C5 | C6 | C1 | 179.1° | 179.8° |
| C5 | N1 | C8 | C7 | 0.8° | 0.0° |
| N1 | C5 | C4 | C7 | 0.5° | 0.0° |
| N1 | C5 | C4 | C3 | 179.8° | 180.0° |
| C5 | N1 | C26 | H29 | 129.4° | 24.7° |
| C5 | N1 | C26 | H28 | 10.1° | 144.7° |
| N1 | C8 | C32 | O5 | 123.6° | 0.1° |
| N1 | C8 | C32 | C7 | 179.9° | 180.0° |
| C8 | N1 | C5 | C6 | 179.7° | 179.7° |
| C8 | N1 | C5 | C4 | 0.9° | 0.0° |
| N1 | C8 | C7 | C4 | 0.3° | 0.1° |
| N1 | C8 | C7 | C33 | 179.2° | 179.9° |
| C8 | N1 | C26 | H29 | 49.5° | 155.3° |
| C8 | N1 | C26 | H28 | 168.8° | 35.4° |
| N4 | C22 | C21 | H17 | 120.2° | 119.9° |
| N4 | C22 | C21 | H18 | 120.2° | 120.0° |
| N4 | C22 | C21 | N5 | 53.9° | 53.8° |
| C22 | N4 | C19 | H12 | 150.0° | 177.0° |
| C22 | N4 | C19 | H11 | 90.1° | 56.8° |
| N4 | C22 | C21 | H16 | 174.0° | 65.9° |
| N4 | C22 | C21 | H15 | 66.2° | 173.7° |
| N4 | C22 | H17 | H18 | 119.3° | 120.1° |
| O5 | C32 | C8 | C7 | 56.3° | 180.0° |
| C32 | C8 | C7 | C4 | 179.7° | 180.0° |
| C32 | C8 | C7 | C33 | 0.7° | 0.1° |
| C8 | C32 | O5 | H56 | 179.3° | 180.0° |
| C5 | C6 | C1 | C2 | 0.4° | 0.5° |
| C6 | C5 | C4 | C7 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C5 | C6 | C1 | H1 | 179.6° | 179.7° |
| C1 | C6 | C5 | C4 | 0.3° | 0.5° |
| C6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C6 | C1 | C2 | H2 | 179.8° | 179.7° |
| O1 | S1 | N5 | O2 | 111.2° | 132.9° |
| O1 | S1 | N5 | N6 | 123.4° | 113.6° |
| O1 | S1 | N5 | C21 | 129.4° | 23.5° |
| O1 | S1 | O2 | N6 | 118.1° | 122.9° |
| O1 | S1 | N6 | C25 | 24.3° | 23.6° |
| O1 | S1 | N6 | C24 | 169.1° | 156.4° |
| C5 | C4 | C7 | C8 | 0.2° | 0.0° |
| C5 | C4 | C7 | C3 | 179.6° | 179.9° |
| C5 | C4 | C7 | C33 | 179.7° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C8 | C7 | C4 | C33 | 179.6° | 179.9° |
| C8 | C7 | C4 | C3 | 179.8° | 180.0° |
| C8 | C7 | C33 | C34 | 89.1° | 90.1° |
| C8 | C7 | C33 | H41 | 31.0° | 149.9° |
| C8 | C7 | C33 | H40 | 150.8° | 29.9° |
| C22 | C21 | N5 | S1 | 150.8° | 128.8° |
| C22 | C21 | N5 | H16 | 120.1° | 119.7° |
| C22 | C21 | N5 | H15 | 120.1° | 119.8° |
| C22 | C21 | H16 | H15 | 119.7° | 120.3° |
| C21 | C22 | H17 | H18 | 119.4° | 120.1° |
| N5 | S1 | O2 | N6 | 124.5° | 114.1° |
| N5 | S1 | N6 | C25 | 98.8° | 90.0° |
| N5 | S1 | N6 | C24 | 67.8° | 90.0° |
| S1 | N5 | C20 | H13 | 35.8° | 9.1° |
| S1 | N5 | C20 | H14 | 84.5° | 111.5° |
| S1 | N5 | C21 | H16 | 30.7° | 111.5° |
| S1 | N5 | C21 | H15 | 89.1° | 9.0° |
| C21 | N5 | S1 | O2 | 119.4° | 156.4° |
| C21 | N5 | S1 | N6 | 6.1° | 90.1° |
| C21 | N5 | C20 | H13 | 145.7° | 170.9° |
| C21 | N5 | C20 | H14 | 94.1° | 68.5° |
| N5 | C21 | H16 | H15 | 119.7° | 120.6° |
| N5 | C21 | C22 | H17 | 66.3° | 66.1° |
| N5 | C21 | C22 | H18 | 174.1° | 173.8° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| O2 | S1 | N6 | C25 | 135.9° | 156.4° |
| O2 | S1 | N6 | C24 | 57.4° | 23.6° |
| S1 | N6 | C25 | C24 | 166.6° | 180.0° |
| S1 | N6 | C24 | H22 | 180.0° | 90.0° |
| S1 | N6 | C24 | H24 | 60.0° | 30.0° |
| S1 | N6 | C24 | H23 | 60.0° | 149.9° |
| S1 | N6 | C25 | H25 | 180.0° | 180.0° |
| S1 | N6 | C25 | H26 | 60.0° | 60.0° |
| S1 | N6 | C25 | H27 | 60.0° | 60.0° |
| C7 | C4 | C3 | C2 | 180.0° | 180.0° |
| C4 | C7 | C33 | C34 | 90.5° | 90.0° |
| C7 | C4 | C3 | H3 | 0.0° | 0.1° |
| C4 | C7 | C33 | H41 | 149.5° | 30.0° |
| C4 | C7 | C33 | H40 | 29.6° | 150.0° |
| C33 | C7 | C4 | C3 | 0.7° | 0.1° |
| C7 | C33 | C34 | H41 | 120.1° | 120.0° |
| C7 | C33 | C34 | H40 | 120.1° | 120.0° |
| C7 | C33 | C34 | C35 | 68.0° | 180.0° |
| C7 | C33 | H41 | H40 | 119.8° | 120.0° |
| C7 | C33 | C34 | H43 | 52.3° | 60.0° |
| C7 | C33 | C34 | H42 | 171.7° | 60.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C33 | C34 | C35 | H43 | 120.3° | 120.0° |
| C33 | C34 | C35 | H42 | 120.3° | 120.0° |
| C33 | C34 | C35 | O6 | 75.8° | 180.0° |
| C34 | C33 | H41 | H40 | 119.8° | 120.1° |
| C33 | C34 | H43 | H42 | 119.2° | 120.1° |
| C33 | C34 | C35 | H44 | 44.2° | 60.0° |
| C33 | C34 | C35 | H45 | 164.2° | 60.0° |
| C34 | C35 | O6 | H44 | 120.0° | 120.0° |
| C34 | C35 | O6 | H45 | 120.0° | 120.0° |
| C34 | C35 | O6 | C36 | 179.2° | 180.0° |
| C35 | C34 | C33 | H41 | 171.9° | 60.0° |
| C35 | C34 | C33 | H40 | 52.1° | 60.0° |
| C35 | C34 | H43 | H42 | 119.2° | 120.0° |
| C34 | C35 | H44 | H45 | 120.0° | 120.0° |
| C25 | N6 | C24 | H22 | 13.1° | 90.0° |
| C25 | N6 | C24 | H24 | 106.9° | 150.0° |
| C25 | N6 | C24 | H23 | 133.1° | 30.1° |
| N6 | C25 | H25 | H26 | 120.0° | 120.0° |
| N6 | C25 | H25 | H27 | 120.0° | 120.0° |
| N6 | C25 | H26 | H27 | 120.0° | 120.0° |
| N6 | C24 | H22 | H24 | 120.0° | 119.9° |
| N6 | C24 | H22 | H23 | 120.0° | 120.0° |
| N6 | C24 | H24 | H23 | 120.0° | 119.9° |
| C24 | N6 | C25 | H25 | 13.3° | 0.0° |
| C24 | N6 | C25 | H26 | 133.4° | 120.0° |
| C24 | N6 | C25 | H27 | 106.6° | 120.0° |
| C35 | O6 | C36 | C41 | 8.5° | 0.3° |
| C35 | O6 | C36 | C37 | 172.0° | 180.0° |
| O6 | C35 | C34 | H43 | 163.9° | 60.0° |
| O6 | C35 | C34 | H42 | 44.5° | 60.0° |
| O6 | C35 | H44 | H45 | 120.0° | 120.0° |
| C40 | C41 | C36 | H48 | 180.0° | 180.0° |
| C40 | C41 | C36 | O6 | 179.6° | 179.7° |
| C41 | C40 | C39 | H47 | 180.0° | 180.0° |
| C40 | C41 | C36 | C37 | 1.0° | 0.0° |
| C41 | C40 | C39 | C38 | 0.6° | 0.0° |
| C41 | C40 | C39 | H46 | 179.4° | 180.0° |
| C41 | C36 | O6 | C37 | 179.5° | 179.7° |
| C36 | C41 | C40 | C39 | 0.5° | 0.0° |
| C41 | C36 | C37 | C38 | 0.3° | 0.0° |
| C41 | C36 | C37 | C42 | 179.2° | 180.0° |
| C36 | C41 | C40 | H47 | 179.5° | 179.9° |
| O6 | C36 | C37 | C38 | 179.7° | 179.7° |
| O6 | C36 | C37 | C42 | 1.4° | 0.3° |
| C36 | O6 | C35 | H44 | 60.8° | 60.0° |
| C36 | O6 | C35 | H45 | 59.2° | 60.0° |
| O6 | C36 | C41 | H48 | 0.4° | 0.3° |
| C40 | C39 | C38 | C37 | 1.3° | 0.0° |
| C40 | C39 | C38 | H46 | 180.0° | 180.0° |
| C40 | C39 | C38 | C45 | 179.8° | 180.0° |
| C39 | C40 | C41 | H48 | 179.5° | 180.0° |
| C36 | C37 | C38 | C42 | 179.1° | 180.0° |
| C36 | C37 | C38 | C39 | 1.0° | 0.0° |
| C36 | C37 | C38 | C45 | 179.8° | 180.0° |
| C36 | C37 | C42 | C43 | 179.0° | 180.0° |
| C37 | C36 | C41 | H48 | 179.0° | 180.0° |
| C36 | C37 | C42 | H49 | 1.0° | 0.0° |
| C37 | C38 | C39 | C45 | 178.5° | 180.0° |
| C38 | C37 | C42 | C43 | 0.1° | 0.0° |
| C37 | C38 | C45 | C44 | 0.4° | 0.1° |
| C37 | C38 | C39 | H46 | 178.7° | 180.0° |
| C38 | C37 | C42 | H49 | 179.9° | 180.0° |
| C37 | C38 | C45 | H52 | 179.6° | 180.0° |
| C42 | C37 | C38 | C39 | 178.1° | 180.0° |
| C42 | C37 | C38 | C45 | 0.7° | 0.0° |
| C37 | C42 | C43 | H49 | 180.0° | 180.0° |
| C37 | C42 | C43 | C44 | 1.5° | 0.0° |
| C37 | C42 | C43 | H50 | 178.5° | 180.0° |
| C39 | C38 | C45 | C44 | 178.2° | 179.9° |
| C38 | C39 | C40 | H47 | 179.4° | 180.0° |
| C39 | C38 | C45 | H52 | 1.8° | 0.0° |
| C38 | C45 | C44 | C43 | 0.8° | 0.1° |
| C38 | C45 | C44 | H52 | 180.0° | 179.9° |
| C45 | C38 | C39 | H46 | 0.2° | 0.0° |
| C38 | C45 | C44 | H51 | 179.2° | 180.0° |
| C42 | C43 | C44 | H50 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 1.9° | 0.0° |
| C42 | C43 | C44 | H51 | 178.1° | 180.0° |
| C43 | C44 | C45 | H51 | 180.0° | 180.0° |
| C44 | C43 | C42 | H49 | 178.5° | 180.0° |
| C43 | C44 | C45 | H52 | 179.2° | 180.0° |
| C45 | C44 | C43 | H50 | 178.1° | 180.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.1° |
| H5 | C12 | H6 | H4 | 120.0° | 120.0° |
| H7 | C14 | C15 | H8 | 0.6° | 0.1° |
| H9 | C17 | C18 | H10 | 0.2° | 0.0° |
| H12 | C19 | C20 | H13 | 65.3° | 66.5° |
| H12 | C19 | C20 | H14 | 54.9° | 54.1° |
| H11 | C19 | C20 | H13 | 54.6° | 53.6° |
| H11 | C19 | C20 | H14 | 174.8° | 174.2° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H16 | C21 | C22 | H17 | 53.8° | 174.2° |
| H16 | C21 | C22 | H18 | 65.8° | 54.1° |
| H15 | C21 | C22 | H17 | 173.6° | 53.8° |
| H15 | C21 | C22 | H18 | 54.0° | 66.2° |
| H20 | C23 | H19 | H21 | 120.0° | 120.1° |
| H22 | C24 | H24 | H23 | 120.0° | 120.1° |
| H25 | C25 | H26 | H27 | 120.0° | 120.0° |
| H29 | C26 | C27 | H31 | 157.8° | 65.4° |
| H29 | C26 | C27 | H30 | 37.8° | 174.6° |
| H28 | C26 | C27 | H31 | 82.9° | 174.6° |
| H28 | C26 | C27 | H30 | 157.1° | 54.6° |
| H33 | C28 | C29 | H35 | 51.7° | 177.0° |
| H33 | C28 | C29 | H34 | 170.5° | 56.9° |
| H32 | C28 | C29 | H35 | 67.6° | 56.9° |
| H32 | C28 | C29 | H34 | 51.2° | 63.2° |
| H37 | C30 | C31 | H38 | 47.7° | 63.3° |
| H37 | C30 | C31 | H39 | 166.8° | 56.8° |
| H36 | C30 | C31 | H38 | 70.9° | 56.8° |
| H36 | C30 | C31 | H39 | 48.3° | 176.9° |
| H41 | C33 | C34 | H43 | 67.8° | 60.0° |
| H41 | C33 | C34 | H42 | 51.7° | 180.0° |
| H40 | C33 | C34 | H43 | 172.3° | 180.0° |
| H40 | C33 | C34 | H42 | 68.2° | 60.0° |
| H43 | C34 | C35 | H44 | 76.1° | 180.0° |
| H43 | C34 | C35 | H45 | 43.9° | 60.0° |
| H42 | C34 | C35 | H44 | 164.5° | 60.0° |
| H42 | C34 | C35 | H45 | 75.6° | 180.0° |
| H46 | C39 | C40 | H47 | 0.6° | 0.1° |
| H47 | C40 | C41 | H48 | 0.5° | 0.0° |
| H49 | C42 | C43 | H50 | 1.5° | 0.0° |
| H50 | C43 | C44 | H51 | 1.9° | 0.0° |
| H51 | C44 | C45 | H52 | 0.8° | 0.0° |
