RXM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C23 | sing | 1.44Å | 1.44Å | |
| O10 | C21 | sing | 1.44Å | 1.44Å | |
| C37 | O6 | sing | 1.43Å | 1.43Å | |
| C32 | C22 | sing | 1.54Å | 1.54Å | |
| O6 | C27 | sing | 1.44Å | 1.44Å | |
| C34 | C26 | sing | 1.55Å | 1.55Å | |
| C23 | C22 | sing | 1.57Å | 1.57Å | |
| C23 | C24 | sing | 1.54Å | 1.54Å | |
| C21 | C22 | sing | 1.57Å | 1.57Å | |
| C21 | C20 | sing | 1.54Å | 1.54Å | |
| O8 | C35 | doub | 1.22Å | 1.22Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C31 | sing | 1.56Å | 1.56Å | |
| C25 | C24 | sing | 1.55Å | 1.55Å | |
| C25 | C26 | sing | 1.56Å | 1.56Å | |
| C25 | O7 | sing | 1.47Å | 1.47Å | |
| C27 | C26 | sing | 1.57Å | 1.57Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| O2 | C8 | sing | 1.37Å | 1.37Å | |
| C24 | C33 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | doub | 1.34Å | 1.34Å | |
| C35 | O7 | sing | 1.35Å | 1.35Å | |
| C35 | C36 | sing | 1.50Å | 1.50Å | |
| O1 | C1 | sing | 1.24Å | 1.24Å | |
| C14 | C7 | sing | 1.52Å | 1.52Å | |
| C18 | C17 | sing | 1.48Å | 1.48Å | |
| C8 | C7 | doub | 1.43Å | 1.43Å | Aromatic |
| C8 | C9 | sing | 1.45Å | 1.45Å | Aromatic |
| C28 | C29 | doub | 1.35Å | 1.35Å | |
| C7 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | C9 | doub | 1.52Å | 1.52Å | Aromatic |
| C1 | C2 | sing | 1.50Å | 1.50Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | |
| C9 | C10 | sing | 1.47Å | 1.47Å | Aromatic |
| N1 | C15 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.41Å | 1.41Å | |
| C16 | C15 | sing | 1.48Å | 1.48Å | |
| C16 | C30 | sing | 1.52Å | 1.52Å | |
| C15 | O11 | doub | 1.25Å | 1.25Å | |
| C2 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C29 | O5 | sing | 1.42Å | 1.42Å | |
| C6 | O3 | sing | 1.37Å | 1.37Å | |
| C6 | C5 | doub | 1.45Å | 1.45Å | Aromatic |
| C10 | C5 | sing | 1.44Å | 1.44Å | Aromatic |
| C10 | C4 | doub | 1.50Å | 1.50Å | Aromatic |
| O3 | C12 | sing | 1.45Å | 1.45Å | |
| C5 | C11 | sing | 1.50Å | 1.50Å | |
| C3 | C4 | sing | 1.49Å | 1.49Å | Aromatic |
| C3 | N2 | sing | 1.40Å | 1.40Å | Aromatic |
| O5 | C12 | sing | 1.46Å | 1.46Å | |
| C4 | N3 | sing | 1.30Å | 1.30Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.55Å | 1.55Å | |
| N2 | C41 | sing | 1.36Å | 1.36Å | Aromatic |
| N2 | C38 | sing | 1.48Å | 1.48Å | Aromatic |
| C11 | O4 | doub | 1.22Å | 1.22Å | |
| C41 | C42 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C38 | doub | 1.44Å | 1.44Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C42 | C40 | sing | 1.41Å | 1.41Å | Aromatic |
| C39 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
| C40 | C43 | sing | 1.51Å | 1.51Å | |
| N1 | H1 | sing | 1.00Å | 1.00Å | |
| C30 | H3 | sing | 1.10Å | 1.10Å | |
| C30 | H4 | sing | 1.10Å | 1.10Å | |
| C30 | H5 | sing | 1.10Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.10Å | 1.10Å | |
| C31 | H10 | sing | 1.10Å | 1.10Å | |
| C31 | H11 | sing | 1.10Å | 1.10Å | |
| C31 | H12 | sing | 1.10Å | 1.10Å | |
| C21 | H13 | sing | 1.10Å | 1.10Å | |
| O10 | H14 | sing | 0.95Å | 0.95Å | |
| C22 | H15 | sing | 1.10Å | 1.10Å | |
| C32 | H16 | sing | 1.10Å | 1.10Å | |
| C32 | H17 | sing | 1.10Å | 1.10Å | |
| C32 | H18 | sing | 1.10Å | 1.10Å | |
| C23 | H19 | sing | 1.10Å | 1.10Å | |
| O9 | H20 | sing | 0.95Å | 0.95Å | |
| C24 | H21 | sing | 1.10Å | 1.10Å | |
| C33 | H22 | sing | 1.10Å | 1.10Å | |
| C33 | H23 | sing | 1.10Å | 1.10Å | |
| C33 | H24 | sing | 1.10Å | 1.10Å | |
| C25 | H25 | sing | 1.10Å | 1.10Å | |
| C36 | H26 | sing | 1.10Å | 1.10Å | |
| C36 | H27 | sing | 1.10Å | 1.10Å | |
| C36 | H28 | sing | 1.10Å | 1.10Å | |
| C26 | H29 | sing | 1.10Å | 1.10Å | |
| C34 | H30 | sing | 1.10Å | 1.10Å | |
| C34 | H31 | sing | 1.10Å | 1.10Å | |
| C34 | H32 | sing | 1.10Å | 1.10Å | |
| C27 | H33 | sing | 1.10Å | 1.10Å | |
| C37 | H34 | sing | 1.10Å | 1.10Å | |
| C37 | H35 | sing | 1.10Å | 1.10Å | |
| C37 | H36 | sing | 1.10Å | 1.10Å | |
| C28 | H37 | sing | 1.08Å | 1.08Å | |
| C29 | H38 | sing | 1.08Å | 1.08Å | |
| C13 | H39 | sing | 1.10Å | 1.10Å | |
| C13 | H40 | sing | 1.10Å | 1.10Å | |
| C13 | H41 | sing | 1.10Å | 1.10Å | |
| O2 | H42 | sing | 0.95Å | 0.95Å | |
| C14 | H43 | sing | 1.10Å | 1.10Å | |
| C14 | H44 | sing | 1.10Å | 1.10Å | |
| C14 | H45 | sing | 1.10Å | 1.10Å | |
| C39 | H46 | sing | 1.08Å | 1.08Å | |
| C41 | H47 | sing | 1.08Å | 1.08Å | |
| C42 | H48 | sing | 1.08Å | 1.08Å | |
| C43 | H49 | sing | 1.10Å | 1.10Å | |
| C43 | H50 | sing | 1.10Å | 1.10Å | |
| C43 | H51 | sing | 1.10Å | 1.10Å | |
| O1 | H2 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C23 | C22 | 111.6° | 111.6° |
| O9 | C23 | C24 | 108.5° | 108.5° |
| O9 | C23 | H19 | 107.4° | 107.4° |
| C23 | O9 | H20 | 109.5° | 109.5° |
| O10 | C21 | C22 | 112.9° | 112.9° |
| O10 | C21 | C20 | 108.4° | 108.4° |
| O10 | C21 | H13 | 107.1° | 107.1° |
| C21 | O10 | H14 | 109.5° | 109.5° |
| C37 | O6 | C27 | 107.7° | 107.7° |
| O6 | C37 | H34 | 109.5° | 109.5° |
| O6 | C37 | H35 | 109.4° | 109.4° |
| O6 | C37 | H36 | 109.5° | 109.5° |
| C32 | C22 | C23 | 111.3° | 111.3° |
| C32 | C22 | C21 | 112.2° | 112.2° |
| C32 | C22 | H15 | 106.7° | 106.7° |
| C22 | C32 | H16 | 109.5° | 109.5° |
| C22 | C32 | H17 | 109.5° | 109.5° |
| C22 | C32 | H18 | 109.4° | 109.4° |
| O6 | C27 | C26 | 113.4° | 113.4° |
| O6 | C27 | C28 | 113.8° | 113.8° |
| O6 | C27 | H33 | 107.1° | 107.1° |
| C34 | C26 | C25 | 113.2° | 113.2° |
| C34 | C26 | C27 | 111.5° | 111.5° |
| C34 | C26 | H29 | 107.2° | 107.2° |
| C26 | C34 | H30 | 109.5° | 109.5° |
| C26 | C34 | H31 | 109.4° | 109.5° |
| C26 | C34 | H32 | 109.4° | 109.4° |
| C22 | C23 | C24 | 116.4° | 116.4° |
| C23 | C22 | C21 | 113.2° | 113.2° |
| C23 | C22 | H15 | 106.5° | 106.5° |
| C22 | C23 | H19 | 106.0° | 106.0° |
| C23 | C24 | C25 | 113.9° | 113.9° |
| C23 | C24 | C33 | 113.2° | 113.2° |
| C24 | C23 | H19 | 106.4° | 106.4° |
| C23 | C24 | H21 | 106.5° | 106.5° |
| C22 | C21 | C20 | 116.4° | 116.4° |
| C22 | C21 | H13 | 105.5° | 105.5° |
| C21 | C22 | H15 | 106.4° | 106.4° |
| C21 | C20 | C19 | 108.7° | 108.7° |
| C21 | C20 | C31 | 108.3° | 108.3° |
| C21 | C20 | H9 | 109.9° | 109.9° |
| C20 | C21 | H13 | 105.9° | 105.9° |
| O8 | C35 | O7 | 123.6° | 123.6° |
| O8 | C35 | C36 | 118.9° | 118.9° |
| C19 | C20 | C31 | 110.2° | 110.2° |
| C20 | C19 | C18 | 123.1° | 123.1° |
| C20 | C19 | H8 | 118.5° | 118.5° |
| C19 | C20 | H9 | 110.0° | 110.0° |
| C31 | C20 | H9 | 109.7° | 109.7° |
| C20 | C31 | H10 | 109.5° | 109.5° |
| C20 | C31 | H11 | 109.4° | 109.4° |
| C20 | C31 | H12 | 109.5° | 109.5° |
| C24 | C25 | C26 | 120.2° | 120.2° |
| C24 | C25 | O7 | 108.3° | 108.3° |
| C25 | C24 | C33 | 109.7° | 109.7° |
| C25 | C24 | H21 | 106.3° | 106.3° |
| C24 | C25 | H25 | 104.9° | 104.9° |
| C26 | C25 | O7 | 111.6° | 111.6° |
| C25 | C26 | C27 | 110.4° | 110.4° |
| C26 | C25 | H25 | 104.9° | 104.9° |
| C25 | C26 | H29 | 107.1° | 107.1° |
| C25 | O7 | C35 | 123.9° | 123.9° |
| O7 | C25 | H25 | 105.7° | 105.7° |
| C26 | C27 | C28 | 110.2° | 110.2° |
| C27 | C26 | H29 | 107.0° | 107.0° |
| C26 | C27 | H33 | 105.6° | 105.6° |
| C27 | C28 | C29 | 124.5° | 124.5° |
| C28 | C27 | H33 | 106.0° | 106.0° |
| C27 | C28 | H37 | 117.8° | 117.8° |
| O2 | C8 | C7 | 118.2° | 118.2° |
| O2 | C8 | C9 | 121.4° | 121.4° |
| C8 | O2 | H42 | 109.5° | 109.5° |
| C33 | C24 | H21 | 106.6° | 106.6° |
| C24 | C33 | H22 | 109.5° | 109.5° |
| C24 | C33 | H23 | 109.5° | 109.5° |
| C24 | C33 | H24 | 109.4° | 109.4° |
| C19 | C18 | C17 | 129.6° | 129.6° |
| C19 | C18 | H7 | 115.2° | 115.2° |
| C18 | C19 | H8 | 118.5° | 118.5° |
| O7 | C35 | C36 | 117.6° | 117.6° |
| C35 | C36 | H26 | 109.5° | 109.5° |
| C35 | C36 | H27 | 109.5° | 109.5° |
| C35 | C36 | H28 | 109.5° | 109.5° |
| O1 | C1 | C9 | 120.8° | 120.8° |
| O1 | C1 | C2 | 118.8° | 118.8° |
| C1 | O1 | H2 | 109.5° | 109.5° |
| C14 | C7 | C8 | 120.8° | 120.8° |
| C14 | C7 | C6 | 118.3° | 118.3° |
| C7 | C14 | H43 | 109.5° | 109.5° |
| C7 | C14 | H44 | 109.5° | 109.5° |
| C7 | C14 | H45 | 109.5° | 109.5° |
| C18 | C17 | C16 | 133.9° | 133.9° |
| C18 | C17 | H6 | 113.1° | 113.1° |
| C17 | C18 | H7 | 115.2° | 115.2° |
| C7 | C8 | C9 | 120.5° | 120.5° |
| C8 | C7 | C6 | 120.9° | 120.9° |
| C8 | C9 | C1 | 122.6° | 122.6° |
| C8 | C9 | C10 | 119.1° | 119.1° |
| C28 | C29 | O5 | 125.6° | 125.6° |
| C29 | C28 | H37 | 117.7° | 117.7° |
| C28 | C29 | H38 | 117.2° | 117.2° |
| C7 | C6 | O3 | 127.6° | 127.6° |
| C7 | C6 | C5 | 119.8° | 119.8° |
| C9 | C1 | C2 | 120.4° | 120.4° |
| C1 | C9 | C10 | 118.3° | 118.3° |
| C1 | C2 | N1 | 122.8° | 122.8° |
| C1 | C2 | C3 | 121.3° | 121.3° |
| C17 | C16 | C15 | 127.1° | 127.1° |
| C17 | C16 | C30 | 113.3° | 113.3° |
| C16 | C17 | H6 | 113.0° | 113.0° |
| C9 | C10 | C5 | 118.9° | 118.9° |
| C9 | C10 | C4 | 118.8° | 118.8° |
| C15 | N1 | C2 | 127.1° | 127.1° |
| N1 | C15 | C16 | 125.6° | 125.6° |
| N1 | C15 | O11 | 116.8° | 116.8° |
| C15 | N1 | H1 | 116.4° | 116.4° |
| N1 | C2 | C3 | 115.9° | 115.9° |
| C2 | N1 | H1 | 116.4° | 116.4° |
| C15 | C16 | C30 | 119.6° | 119.6° |
| C16 | C15 | O11 | 117.6° | 117.6° |
| C16 | C30 | H3 | 109.5° | 109.5° |
| C16 | C30 | H4 | 109.5° | 109.5° |
| C16 | C30 | H5 | 109.5° | 109.5° |
| C2 | C3 | C4 | 119.3° | 119.3° |
| C2 | C3 | N2 | 133.4° | 133.4° |
| C29 | O5 | C12 | 115.8° | 115.8° |
| O5 | C29 | H38 | 117.2° | 117.2° |
| O3 | C6 | C5 | 112.6° | 112.6° |
| C6 | O3 | C12 | 109.1° | 109.1° |
| C6 | C5 | C10 | 120.8° | 120.8° |
| C6 | C5 | C11 | 105.7° | 105.7° |
| C5 | C10 | C4 | 122.3° | 122.3° |
| C10 | C5 | C11 | 133.5° | 133.5° |
| C10 | C4 | C3 | 122.0° | 122.0° |
| C10 | C4 | N3 | 129.5° | 129.5° |
| O3 | C12 | O5 | 116.2° | 116.2° |
| O3 | C12 | C11 | 107.0° | 107.0° |
| O3 | C12 | C13 | 106.4° | 106.4° |
| C5 | C11 | C12 | 105.2° | 105.2° |
| C5 | C11 | O4 | 131.1° | 131.1° |
| C4 | C3 | N2 | 107.3° | 107.3° |
| C3 | C4 | N3 | 108.5° | 108.5° |
| C3 | N2 | C41 | 137.9° | 137.9° |
| C3 | N2 | C38 | 106.6° | 106.6° |
| O5 | C12 | C11 | 107.2° | 107.2° |
| O5 | C12 | C13 | 113.5° | 113.5° |
| C4 | N3 | C38 | 112.0° | 112.0° |
| C11 | C12 | C13 | 105.9° | 105.9° |
| C12 | C11 | O4 | 123.6° | 123.6° |
| C12 | C13 | H39 | 109.5° | 109.5° |
| C12 | C13 | H40 | 109.5° | 109.5° |
| C12 | C13 | H41 | 109.5° | 109.5° |
| C41 | N2 | C38 | 115.5° | 115.5° |
| N2 | C41 | C42 | 123.3° | 123.3° |
| N2 | C41 | H47 | 118.4° | 118.4° |
| N2 | C38 | N3 | 105.6° | 105.6° |
| N2 | C38 | C39 | 122.2° | 122.2° |
| C41 | C42 | C40 | 120.2° | 120.2° |
| C42 | C41 | H47 | 118.3° | 118.3° |
| C41 | C42 | H48 | 119.9° | 119.9° |
| N3 | C38 | C39 | 132.1° | 132.1° |
| C38 | C39 | C40 | 118.5° | 118.5° |
| C38 | C39 | H46 | 120.8° | 120.8° |
| C42 | C40 | C39 | 120.2° | 120.2° |
| C42 | C40 | C43 | 119.5° | 119.5° |
| C40 | C42 | H48 | 119.9° | 119.9° |
| C39 | C40 | C43 | 120.2° | 120.2° |
| C40 | C39 | H46 | 120.7° | 120.7° |
| C40 | C43 | H49 | 109.5° | 109.5° |
| C40 | C43 | H50 | 109.5° | 109.5° |
| C40 | C43 | H51 | 109.4° | 109.4° |
| H3 | C30 | H4 | 109.4° | 109.4° |
| H3 | C30 | H5 | 109.5° | 109.5° |
| H4 | C30 | H5 | 109.5° | 109.5° |
| H10 | C31 | H11 | 109.5° | 109.5° |
| H10 | C31 | H12 | 109.5° | 109.5° |
| H11 | C31 | H12 | 109.5° | 109.5° |
| H16 | C32 | H17 | 109.4° | 109.4° |
| H16 | C32 | H18 | 109.5° | 109.5° |
| H17 | C32 | H18 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.5° |
| H22 | C33 | H24 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H26 | C36 | H27 | 109.5° | 109.5° |
| H26 | C36 | H28 | 109.5° | 109.5° |
| H27 | C36 | H28 | 109.5° | 109.5° |
| H30 | C34 | H31 | 109.5° | 109.4° |
| H30 | C34 | H32 | 109.5° | 109.5° |
| H31 | C34 | H32 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.5° | 109.5° |
| H34 | C37 | H36 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H39 | C13 | H40 | 109.5° | 109.5° |
| H39 | C13 | H41 | 109.4° | 109.4° |
| H40 | C13 | H41 | 109.5° | 109.5° |
| H43 | C14 | H44 | 109.5° | 109.5° |
| H43 | C14 | H45 | 109.4° | 109.4° |
| H44 | C14 | H45 | 109.5° | 109.5° |
| H49 | C43 | H50 | 109.4° | 109.4° |
| H49 | C43 | H51 | 109.5° | 109.5° |
| H50 | C43 | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C23 | C22 | C32 | 44.5° | 44.5° |
| O9 | C23 | C22 | C24 | 125.3° | 125.3° |
| O9 | C23 | C22 | H19 | 116.7° | 116.7° |
| O9 | C23 | C24 | H19 | 115.3° | 115.3° |
| O9 | C23 | C22 | C21 | 83.0° | 83.0° |
| O9 | C23 | C24 | C25 | 54.8° | 54.8° |
| O9 | C23 | C24 | C33 | 179.0° | 179.0° |
| O9 | C23 | C22 | H15 | 160.5° | 160.5° |
| O9 | C23 | C24 | H21 | 62.1° | 62.1° |
| O10 | C21 | C22 | C32 | 58.4° | 58.4° |
| O10 | C21 | C22 | C23 | 68.6° | 68.6° |
| O10 | C21 | C22 | C20 | 126.3° | 126.3° |
| O10 | C21 | C22 | H13 | 116.6° | 116.6° |
| O10 | C21 | C20 | H13 | 114.6° | 114.6° |
| O10 | C21 | C20 | C19 | 70.5° | 70.5° |
| O10 | C21 | C20 | C31 | 169.8° | 169.8° |
| O10 | C21 | C20 | H9 | 50.0° | 50.0° |
| O10 | C21 | C22 | H15 | 174.8° | 174.8° |
| C37 | O6 | C27 | C26 | 105.1° | 105.1° |
| C37 | O6 | C27 | C28 | 127.9° | 127.9° |
| C37 | O6 | C27 | H33 | 11.0° | 11.0° |
| O6 | C37 | H34 | H35 | 120.0° | 120.0° |
| O6 | C37 | H34 | H36 | 120.0° | 120.0° |
| O6 | C37 | H35 | H36 | 120.0° | 120.0° |
| C32 | C22 | C23 | C21 | 127.5° | 127.5° |
| C32 | C22 | C23 | H15 | 116.0° | 116.0° |
| C32 | C22 | C23 | C24 | 169.8° | 169.8° |
| C32 | C22 | C21 | H15 | 116.4° | 116.4° |
| C32 | C22 | C21 | C20 | 67.9° | 67.9° |
| C32 | C22 | C21 | H13 | 175.0° | 175.0° |
| C22 | C32 | H16 | H17 | 120.0° | 120.0° |
| C22 | C32 | H16 | H18 | 120.0° | 120.0° |
| C22 | C32 | H17 | H18 | 120.0° | 120.0° |
| C32 | C22 | C23 | H19 | 72.2° | 72.2° |
| O6 | C27 | C26 | C34 | 36.1° | 36.1° |
| O6 | C27 | C26 | C25 | 90.6° | 90.6° |
| O6 | C27 | C26 | C28 | 128.9° | 128.9° |
| O6 | C27 | C26 | H33 | 117.0° | 117.0° |
| O6 | C27 | C28 | H33 | 117.5° | 117.5° |
| O6 | C27 | C28 | C29 | 131.9° | 131.9° |
| O6 | C27 | C26 | H29 | 153.1° | 153.1° |
| C27 | O6 | C37 | H34 | 180.0° | 180.0° |
| C27 | O6 | C37 | H35 | 60.0° | 60.0° |
| C27 | O6 | C37 | H36 | 60.0° | 60.0° |
| O6 | C27 | C28 | H37 | 48.1° | 48.1° |
| C34 | C26 | C25 | C24 | 59.4° | 59.4° |
| C34 | C26 | C25 | C27 | 125.8° | 125.8° |
| C34 | C26 | C25 | H29 | 118.0° | 118.0° |
| C34 | C26 | C25 | O7 | 172.1° | 172.1° |
| C34 | C26 | C27 | H29 | 117.0° | 117.0° |
| C34 | C26 | C27 | C28 | 92.7° | 92.7° |
| C34 | C26 | C25 | H25 | 58.1° | 58.1° |
| C26 | C34 | H30 | H31 | 120.0° | 120.0° |
| C26 | C34 | H30 | H32 | 120.0° | 120.0° |
| C26 | C34 | H31 | H32 | 120.0° | 120.0° |
| C34 | C26 | C27 | H33 | 153.1° | 153.1° |
| C22 | C23 | C24 | H19 | 117.8° | 117.8° |
| C23 | C22 | C21 | H15 | 116.6° | 116.6° |
| C23 | C22 | C21 | C20 | 165.1° | 165.1° |
| C22 | C23 | C24 | C25 | 178.3° | 178.3° |
| C22 | C23 | C24 | C33 | 52.1° | 52.1° |
| C23 | C22 | C21 | H13 | 48.0° | 48.0° |
| C23 | C22 | C32 | H16 | 180.0° | 180.0° |
| C23 | C22 | C32 | H17 | 60.0° | 60.0° |
| C23 | C22 | C32 | H18 | 60.0° | 60.0° |
| C22 | C23 | O9 | H20 | 180.0° | 180.0° |
| C22 | C23 | C24 | H21 | 64.8° | 64.8° |
| C24 | C23 | C22 | C21 | 42.3° | 42.3° |
| C23 | C24 | C25 | C33 | 128.0° | 128.0° |
| C23 | C24 | C25 | H21 | 117.0° | 117.0° |
| C23 | C24 | C25 | C26 | 151.3° | 151.3° |
| C23 | C24 | C25 | O7 | 78.8° | 78.8° |
| C23 | C24 | C33 | H21 | 116.8° | 116.8° |
| C24 | C23 | C22 | H15 | 74.2° | 74.2° |
| C24 | C23 | O9 | H20 | 50.4° | 50.4° |
| C23 | C24 | C33 | H22 | 180.0° | 180.0° |
| C23 | C24 | C33 | H23 | 60.0° | 60.0° |
| C23 | C24 | C33 | H24 | 60.0° | 60.0° |
| C23 | C24 | C25 | H25 | 33.8° | 33.8° |
| C22 | C21 | C20 | H13 | 116.9° | 116.9° |
| C22 | C21 | C20 | C19 | 161.0° | 161.0° |
| C22 | C21 | C20 | C31 | 41.3° | 41.3° |
| C22 | C21 | C20 | H9 | 78.5° | 78.5° |
| C22 | C21 | O10 | H14 | 180.0° | 180.0° |
| C21 | C22 | C32 | H16 | 52.0° | 52.0° |
| C21 | C22 | C32 | H17 | 68.0° | 68.0° |
| C21 | C22 | C32 | H18 | 172.0° | 172.0° |
| C21 | C22 | C23 | H19 | 160.3° | 160.3° |
| C21 | C20 | C19 | C31 | 118.5° | 118.5° |
| C21 | C20 | C19 | H9 | 120.4° | 120.4° |
| C21 | C20 | C31 | H9 | 119.9° | 119.9° |
| C21 | C20 | C19 | C18 | 150.7° | 150.7° |
| C21 | C20 | C19 | H8 | 29.4° | 29.4° |
| C21 | C20 | C31 | H10 | 180.0° | 180.0° |
| C21 | C20 | C31 | H11 | 60.0° | 60.0° |
| C21 | C20 | C31 | H12 | 60.0° | 60.0° |
| C20 | C21 | O10 | H14 | 49.5° | 49.5° |
| C20 | C21 | C22 | H15 | 48.5° | 48.5° |
| O8 | C35 | O7 | C25 | 13.5° | 13.5° |
| O8 | C35 | O7 | C36 | 179.7° | 179.7° |
| O8 | C35 | C36 | H26 | 0.0° | 0.0° |
| O8 | C35 | C36 | H27 | 120.0° | 120.0° |
| O8 | C35 | C36 | H28 | 120.0° | 120.0° |
| C19 | C20 | C31 | H9 | 121.3° | 121.3° |
| C20 | C19 | C18 | H8 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 179.3° | 179.3° |
| C20 | C19 | C18 | H7 | 0.7° | 0.7° |
| C19 | C20 | C31 | H10 | 61.2° | 61.2° |
| C19 | C20 | C31 | H11 | 178.8° | 178.8° |
| C19 | C20 | C31 | H12 | 58.8° | 58.8° |
| C19 | C20 | C21 | H13 | 44.0° | 44.0° |
| C31 | C20 | C19 | C18 | 32.1° | 32.1° |
| C31 | C20 | C19 | H8 | 147.9° | 147.9° |
| C20 | C31 | H10 | H11 | 120.0° | 120.0° |
| C20 | C31 | H10 | H12 | 120.0° | 120.0° |
| C20 | C31 | H11 | H12 | 120.0° | 120.0° |
| C31 | C20 | C21 | H13 | 75.6° | 75.6° |
| C24 | C25 | C26 | O7 | 128.5° | 128.5° |
| C24 | C25 | C26 | H25 | 117.5° | 117.5° |
| C24 | C25 | O7 | H25 | 112.0° | 112.0° |
| C24 | C25 | C26 | C27 | 174.8° | 174.8° |
| C25 | C24 | C33 | H21 | 114.8° | 114.8° |
| C24 | C25 | O7 | C35 | 95.8° | 95.8° |
| C25 | C24 | C23 | H19 | 60.5° | 60.5° |
| C25 | C24 | C33 | H22 | 51.6° | 51.6° |
| C25 | C24 | C33 | H23 | 171.6° | 171.6° |
| C25 | C24 | C33 | H24 | 68.5° | 68.5° |
| C24 | C25 | C26 | H29 | 58.6° | 58.6° |
| C26 | C25 | O7 | H25 | 113.5° | 113.5° |
| C25 | C26 | C27 | H29 | 116.3° | 116.3° |
| C25 | C26 | C27 | C28 | 140.5° | 140.5° |
| C26 | C25 | C24 | C33 | 80.7° | 80.7° |
| C26 | C25 | O7 | C35 | 129.6° | 129.6° |
| C26 | C25 | C24 | H21 | 34.3° | 34.3° |
| C25 | C26 | C34 | H30 | 180.0° | 180.0° |
| C25 | C26 | C34 | H31 | 60.0° | 60.0° |
| C25 | C26 | C34 | H32 | 60.0° | 60.0° |
| C25 | C26 | C27 | H33 | 26.4° | 26.4° |
| O7 | C25 | C26 | C27 | 46.3° | 46.3° |
| O7 | C25 | C24 | C33 | 49.2° | 49.2° |
| C25 | O7 | C35 | C36 | 166.8° | 166.8° |
| O7 | C25 | C24 | H21 | 164.2° | 164.2° |
| O7 | C25 | C26 | H29 | 69.9° | 69.9° |
| C26 | C27 | C28 | H33 | 113.9° | 113.9° |
| C26 | C27 | C28 | C29 | 99.4° | 99.4° |
| C27 | C26 | C25 | H25 | 67.7° | 67.7° |
| C27 | C26 | C34 | H30 | 54.8° | 54.8° |
| C27 | C26 | C34 | H31 | 65.2° | 65.2° |
| C27 | C26 | C34 | H32 | 174.8° | 174.8° |
| C26 | C27 | C28 | H37 | 80.6° | 80.6° |
| C27 | C28 | C29 | H37 | 180.0° | 180.0° |
| C27 | C28 | C29 | O5 | 178.7° | 178.7° |
| C28 | C27 | C26 | H29 | 24.3° | 24.3° |
| C27 | C28 | C29 | H38 | 1.3° | 1.3° |
| O2 | C8 | C7 | C14 | 0.3° | 0.3° |
| O2 | C8 | C7 | C9 | 179.7° | 179.7° |
| O2 | C8 | C7 | C6 | 179.7° | 179.7° |
| O2 | C8 | C9 | C1 | 0.0° | 0.0° |
| O2 | C8 | C9 | C10 | 179.9° | 179.9° |
| C33 | C24 | C23 | H19 | 65.7° | 65.7° |
| C24 | C33 | H22 | H23 | 120.0° | 120.0° |
| C24 | C33 | H22 | H24 | 120.0° | 120.0° |
| C24 | C33 | H23 | H24 | 119.9° | 119.9° |
| C33 | C24 | C25 | H25 | 161.8° | 161.8° |
| C19 | C18 | C17 | H7 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 53.0° | 53.0° |
| C19 | C18 | C17 | H6 | 127.0° | 127.0° |
| C18 | C19 | C20 | H9 | 88.9° | 88.9° |
| C35 | O7 | C25 | H25 | 16.2° | 16.2° |
| O7 | C35 | C36 | H26 | 179.7° | 179.7° |
| O7 | C35 | C36 | H27 | 60.3° | 60.3° |
| O7 | C35 | C36 | H28 | 59.7° | 59.7° |
| C35 | C36 | H26 | H27 | 120.0° | 120.0° |
| C35 | C36 | H26 | H28 | 120.0° | 120.0° |
| C35 | C36 | H27 | H28 | 120.0° | 120.0° |
| O1 | C1 | C9 | C8 | 0.5° | 0.5° |
| O1 | C1 | C9 | C2 | 179.4° | 179.4° |
| O1 | C1 | C9 | C10 | 179.6° | 179.6° |
| O1 | C1 | C2 | N1 | 0.7° | 0.7° |
| O1 | C1 | C2 | C3 | 179.1° | 179.1° |
| C14 | C7 | C8 | C6 | 180.0° | 180.0° |
| C14 | C7 | C8 | C9 | 180.0° | 180.0° |
| C14 | C7 | C6 | O3 | 0.4° | 0.4° |
| C14 | C7 | C6 | C5 | 179.8° | 179.8° |
| C7 | C14 | H43 | H44 | 120.0° | 120.0° |
| C7 | C14 | H43 | H45 | 120.0° | 120.0° |
| C7 | C14 | H44 | H45 | 120.0° | 120.0° |
| C18 | C17 | C16 | H6 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.9° | 0.9° |
| C18 | C17 | C16 | C30 | 178.9° | 178.9° |
| C17 | C18 | C19 | H8 | 0.7° | 0.7° |
| C7 | C8 | C9 | C1 | 179.7° | 179.7° |
| C7 | C8 | C9 | C10 | 0.3° | 0.3° |
| C8 | C7 | C6 | O3 | 179.6° | 179.6° |
| C8 | C7 | C6 | C5 | 0.2° | 0.2° |
| C7 | C8 | O2 | H42 | 180.0° | 180.0° |
| C8 | C7 | C14 | H43 | 90.0° | 90.0° |
| C8 | C7 | C14 | H44 | 150.0° | 150.0° |
| C8 | C7 | C14 | H45 | 30.0° | 30.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C1 | C10 | 179.9° | 179.9° |
| C8 | C9 | C1 | C2 | 178.9° | 178.9° |
| C8 | C9 | C10 | C5 | 0.8° | 0.8° |
| C8 | C9 | C10 | C4 | 178.4° | 178.4° |
| C9 | C8 | O2 | H42 | 0.3° | 0.3° |
| C28 | C29 | O5 | H38 | 180.0° | 180.0° |
| C28 | C29 | O5 | C12 | 61.1° | 61.1° |
| C29 | C28 | C27 | H33 | 14.4° | 14.4° |
| C7 | C6 | O3 | C5 | 179.8° | 179.8° |
| C7 | C6 | C5 | C10 | 0.8° | 0.8° |
| C7 | C6 | O3 | C12 | 175.4° | 175.4° |
| C7 | C6 | C5 | C11 | 179.6° | 179.6° |
| C6 | C7 | C14 | H43 | 90.0° | 90.0° |
| C6 | C7 | C14 | H44 | 30.0° | 30.0° |
| C6 | C7 | C14 | H45 | 150.0° | 150.0° |
| C9 | C1 | C2 | N1 | 178.6° | 178.6° |
| C9 | C1 | C2 | C3 | 0.2° | 0.2° |
| C1 | C9 | C10 | C5 | 179.2° | 179.2° |
| C1 | C9 | C10 | C4 | 1.6° | 1.6° |
| C9 | C1 | O1 | H2 | 180.0° | 180.0° |
| C2 | C1 | C9 | C10 | 1.0° | 1.0° |
| C1 | C2 | N1 | C15 | 67.8° | 67.8° |
| C1 | C2 | N1 | C3 | 178.5° | 178.5° |
| C1 | C2 | C3 | C4 | 0.9° | 0.9° |
| C1 | C2 | C3 | N2 | 178.2° | 178.2° |
| C1 | C2 | N1 | H1 | 112.2° | 112.2° |
| C2 | C1 | O1 | H2 | 0.6° | 0.6° |
| C17 | C16 | C15 | N1 | 0.4° | 0.4° |
| C17 | C16 | C15 | C30 | 179.9° | 179.9° |
| C17 | C16 | C15 | O11 | 178.9° | 178.9° |
| C17 | C16 | C30 | H3 | 180.0° | 180.0° |
| C17 | C16 | C30 | H4 | 60.0° | 60.0° |
| C17 | C16 | C30 | H5 | 60.0° | 60.0° |
| C16 | C17 | C18 | H7 | 127.0° | 127.0° |
| C9 | C10 | C5 | C6 | 1.0° | 1.0° |
| C9 | C10 | C5 | C4 | 177.5° | 177.5° |
| C9 | C10 | C5 | C11 | 179.5° | 179.5° |
| C9 | C10 | C4 | C3 | 0.9° | 0.9° |
| C9 | C10 | C4 | N3 | 177.9° | 177.9° |
| C15 | N1 | C2 | H1 | 180.0° | 180.0° |
| N1 | C15 | C16 | O11 | 179.3° | 179.3° |
| N1 | C15 | C16 | C30 | 179.7° | 179.7° |
| C15 | N1 | C2 | C3 | 113.7° | 113.7° |
| C2 | N1 | C15 | C16 | 173.6° | 173.6° |
| C2 | N1 | C15 | O11 | 5.7° | 5.7° |
| N1 | C2 | C3 | C4 | 179.4° | 179.4° |
| N1 | C2 | C3 | N2 | 0.3° | 0.3° |
| C16 | C15 | N1 | H1 | 6.4° | 6.4° |
| C15 | C16 | C30 | H3 | 0.1° | 0.1° |
| C15 | C16 | C30 | H4 | 120.1° | 120.1° |
| C15 | C16 | C30 | H5 | 119.9° | 119.9° |
| C15 | C16 | C17 | H6 | 179.1° | 179.1° |
| C30 | C16 | C15 | O11 | 1.0° | 1.0° |
| C16 | C30 | H3 | H4 | 120.0° | 120.0° |
| C16 | C30 | H3 | H5 | 120.0° | 120.0° |
| C16 | C30 | H4 | H5 | 120.0° | 120.0° |
| C30 | C16 | C17 | H6 | 1.0° | 1.0° |
| O11 | C15 | N1 | H1 | 174.3° | 174.3° |
| C2 | C3 | C4 | C10 | 0.4° | 0.4° |
| C2 | C3 | C4 | N2 | 179.4° | 179.4° |
| C2 | C3 | C4 | N3 | 179.4° | 179.4° |
| C2 | C3 | N2 | C41 | 0.0° | 0.0° |
| C2 | C3 | N2 | C38 | 178.9° | 178.9° |
| C3 | C2 | N1 | H1 | 66.3° | 66.3° |
| C29 | O5 | C12 | O3 | 75.0° | 75.0° |
| C29 | O5 | C12 | C11 | 44.6° | 44.6° |
| C29 | O5 | C12 | C13 | 161.1° | 161.1° |
| O5 | C29 | C28 | H37 | 1.3° | 1.3° |
| O3 | C6 | C5 | C10 | 179.1° | 179.1° |
| O3 | C6 | C5 | C11 | 0.5° | 0.5° |
| C6 | O3 | C12 | O5 | 112.8° | 112.8° |
| C6 | O3 | C12 | C11 | 6.8° | 6.8° |
| C6 | O3 | C12 | C13 | 119.7° | 119.7° |
| C6 | C5 | C10 | C11 | 179.5° | 179.5° |
| C6 | C5 | C10 | C4 | 178.6° | 178.6° |
| C5 | C6 | O3 | C12 | 4.7° | 4.7° |
| C6 | C5 | C11 | C12 | 3.6° | 3.6° |
| C6 | C5 | C11 | O4 | 179.0° | 179.0° |
| C5 | C10 | C4 | C3 | 178.4° | 178.4° |
| C5 | C10 | C4 | N3 | 0.4° | 0.4° |
| C10 | C5 | C11 | C12 | 176.9° | 176.9° |
| C10 | C5 | C11 | O4 | 0.5° | 0.5° |
| C4 | C10 | C5 | C11 | 2.0° | 2.0° |
| C10 | C4 | C3 | N3 | 179.0° | 179.0° |
| C10 | C4 | C3 | N2 | 179.0° | 179.0° |
| C10 | C4 | N3 | C38 | 178.5° | 178.5° |
| O3 | C12 | C11 | C5 | 6.3° | 6.3° |
| O3 | C12 | O5 | C11 | 119.6° | 119.6° |
| O3 | C12 | O5 | C13 | 123.9° | 123.9° |
| O3 | C12 | C11 | C13 | 113.2° | 113.2° |
| O3 | C12 | C11 | O4 | 176.1° | 176.1° |
| O3 | C12 | C13 | H39 | 180.0° | 180.0° |
| O3 | C12 | C13 | H40 | 60.0° | 60.0° |
| O3 | C12 | C13 | H41 | 60.0° | 60.0° |
| C5 | C11 | C12 | O5 | 119.0° | 119.0° |
| C5 | C11 | C12 | O4 | 177.6° | 177.6° |
| C5 | C11 | C12 | C13 | 119.6° | 119.6° |
| C4 | C3 | N2 | C41 | 179.2° | 179.2° |
| C4 | C3 | N2 | C38 | 0.3° | 0.3° |
| C3 | C4 | N3 | C38 | 0.4° | 0.4° |
| N2 | C3 | C4 | N3 | 0.0° | 0.0° |
| C3 | N2 | C41 | C38 | 178.8° | 178.8° |
| C3 | N2 | C41 | C42 | 178.7° | 178.7° |
| C3 | N2 | C38 | N3 | 0.5° | 0.5° |
| C3 | N2 | C38 | C39 | 179.6° | 179.6° |
| C3 | N2 | C41 | H47 | 1.3° | 1.3° |
| O5 | C12 | C11 | C13 | 121.5° | 121.5° |
| O5 | C12 | C11 | O4 | 58.7° | 58.7° |
| C12 | O5 | C29 | H38 | 118.9° | 118.9° |
| O5 | C12 | C13 | H39 | 50.9° | 50.9° |
| O5 | C12 | C13 | H40 | 69.1° | 69.1° |
| O5 | C12 | C13 | H41 | 170.9° | 170.9° |
| C4 | N3 | C38 | N2 | 0.5° | 0.5° |
| C4 | N3 | C38 | C39 | 179.6° | 179.6° |
| C11 | C12 | C13 | H39 | 66.3° | 66.3° |
| C11 | C12 | C13 | H40 | 173.7° | 173.7° |
| C11 | C12 | C13 | H41 | 53.6° | 53.6° |
| C13 | C12 | C11 | O4 | 62.8° | 62.8° |
| C12 | C13 | H39 | H40 | 120.0° | 120.0° |
| C12 | C13 | H39 | H41 | 120.0° | 120.0° |
| C12 | C13 | H40 | H41 | 120.0° | 120.0° |
| N2 | C41 | C42 | H47 | 180.0° | 180.0° |
| C41 | N2 | C38 | N3 | 179.7° | 179.7° |
| C41 | N2 | C38 | C39 | 0.5° | 0.5° |
| N2 | C41 | C42 | C40 | 0.4° | 0.4° |
| N2 | C41 | C42 | H48 | 179.6° | 179.6° |
| C38 | N2 | C41 | C42 | 0.1° | 0.1° |
| N2 | C38 | N3 | C39 | 179.8° | 179.8° |
| N2 | C38 | C39 | C40 | 0.7° | 0.7° |
| N2 | C38 | C39 | H46 | 179.3° | 179.3° |
| C38 | N2 | C41 | H47 | 179.9° | 179.9° |
| C41 | C42 | C40 | H48 | 180.0° | 180.0° |
| C41 | C42 | C40 | C39 | 0.2° | 0.2° |
| C41 | C42 | C40 | C43 | 179.7° | 179.7° |
| N3 | C38 | C39 | C40 | 179.5° | 179.5° |
| N3 | C38 | C39 | H46 | 0.5° | 0.5° |
| C38 | C39 | C40 | C42 | 0.3° | 0.3° |
| C38 | C39 | C40 | H46 | 180.0° | 180.0° |
| C38 | C39 | C40 | C43 | 179.8° | 179.8° |
| C42 | C40 | C39 | C43 | 179.9° | 179.9° |
| C42 | C40 | C39 | H46 | 179.7° | 179.7° |
| C40 | C42 | C41 | H47 | 179.6° | 179.6° |
| C42 | C40 | C43 | H49 | 90.1° | 90.1° |
| C42 | C40 | C43 | H50 | 149.9° | 149.9° |
| C42 | C40 | C43 | H51 | 29.9° | 29.9° |
| C39 | C40 | C42 | H48 | 179.8° | 179.8° |
| C39 | C40 | C43 | H49 | 90.1° | 90.1° |
| C39 | C40 | C43 | H50 | 29.9° | 29.9° |
| C39 | C40 | C43 | H51 | 149.9° | 149.9° |
| C43 | C40 | C39 | H46 | 0.2° | 0.2° |
| C43 | C40 | C42 | H48 | 0.3° | 0.3° |
| C40 | C43 | H49 | H50 | 120.0° | 120.0° |
| C40 | C43 | H49 | H51 | 120.0° | 120.0° |
| C40 | C43 | H50 | H51 | 120.0° | 120.0° |
| H3 | C30 | H4 | H5 | 120.0° | 120.0° |
| H6 | C17 | C18 | H7 | 53.0° | 53.0° |
| H7 | C18 | C19 | H8 | 179.3° | 179.3° |
| H8 | C19 | C20 | H9 | 91.1° | 91.1° |
| H9 | C20 | C31 | H10 | 60.0° | 60.0° |
| H9 | C20 | C31 | H11 | 60.0° | 60.0° |
| H9 | C20 | C31 | H12 | 179.9° | 179.9° |
| H9 | C20 | C21 | H13 | 164.6° | 164.6° |
| H10 | C31 | H11 | H12 | 120.0° | 120.0° |
| H13 | C21 | O10 | H14 | 64.3° | 64.3° |
| H13 | C21 | C22 | H15 | 68.6° | 68.6° |
| H15 | C22 | C32 | H16 | 64.2° | 64.2° |
| H15 | C22 | C32 | H17 | 175.8° | 175.8° |
| H15 | C22 | C32 | H18 | 55.8° | 55.8° |
| H15 | C22 | C23 | H19 | 43.8° | 43.8° |
| H16 | C32 | H17 | H18 | 120.0° | 120.0° |
| H19 | C23 | O9 | H20 | 64.2° | 64.2° |
| H19 | C23 | C24 | H21 | 177.4° | 177.4° |
| H21 | C24 | C33 | H22 | 63.2° | 63.2° |
| H21 | C24 | C33 | H23 | 56.8° | 56.8° |
| H21 | C24 | C33 | H24 | 176.8° | 176.8° |
| H21 | C24 | C25 | H25 | 83.3° | 83.3° |
| H22 | C33 | H23 | H24 | 120.0° | 120.0° |
| H25 | C25 | C26 | H29 | 176.1° | 176.1° |
| H26 | C36 | H27 | H28 | 120.0° | 120.0° |
| H29 | C26 | C34 | H30 | 62.1° | 62.1° |
| H29 | C26 | C34 | H31 | 177.9° | 178.0° |
| H29 | C26 | C34 | H32 | 58.0° | 58.0° |
| H29 | C26 | C27 | H33 | 89.9° | 89.9° |
| H30 | C34 | H31 | H32 | 120.0° | 120.0° |
| H33 | C27 | C28 | H37 | 165.6° | 165.6° |
| H34 | C37 | H35 | H36 | 120.0° | 120.0° |
| H37 | C28 | C29 | H38 | 178.7° | 178.7° |
| H39 | C13 | H40 | H41 | 120.0° | 120.0° |
| H43 | C14 | H44 | H45 | 120.0° | 120.0° |
| H47 | C41 | C42 | H48 | 0.4° | 0.4° |
| H49 | C43 | H50 | H51 | 120.0° | 120.0° |
