X2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C40 | doub | 1.38Å | 1.34Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.35Å | Aromatic |
| C42 | C38 | sing | 1.51Å | 1.50Å | |
| C42 | N5 | sing | 1.47Å | 1.41Å | |
| C40 | C41 | sing | 1.38Å | 1.36Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.37Å | Aromatic |
| C41 | C36 | doub | 1.38Å | 1.35Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
| C36 | C33 | sing | 1.51Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C48 | C49 | sing | 1.54Å | 1.52Å | |
| C48 | C47 | sing | 1.54Å | 1.51Å | |
| C35 | N4 | sing | 1.47Å | 1.45Å | |
| C49 | C21 | sing | 1.53Å | 1.52Å | |
| O7 | C | sing | 1.43Å | 1.44Å | |
| N4 | C31 | sing | 1.47Å | 1.44Å | |
| N4 | C30 | sing | 1.35Å | 1.34Å | |
| C26 | C27 | doub | 1.38Å | 1.36Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.35Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C47 | C21 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C30 | sing | 1.48Å | 1.50Å | |
| C28 | C29 | doub | 1.40Å | 1.37Å | Aromatic |
| C30 | O4 | doub | 1.21Å | 1.19Å | |
| C21 | C | sing | 1.53Å | 1.50Å | |
| C21 | O2 | sing | 1.43Å | 1.43Å | |
| C24 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | N3 | sing | 1.40Å | 1.32Å | |
| C | O5 | sing | 1.45Å | 1.38Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| N3 | C23 | sing | 1.35Å | 1.30Å | |
| O5 | C22 | sing | 1.44Å | 1.40Å | |
| C1 | N | sing | 1.35Å | 1.30Å | |
| C1 | O | doub | 1.21Å | 1.20Å | |
| C3 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| O2 | C22 | sing | 1.45Å | 1.42Å | |
| N | C2 | sing | 1.40Å | 1.33Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.46Å | |
| C23 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C43 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| O6 | C43 | sing | 1.43Å | 1.43Å | |
| C43 | C44 | sing | 1.54Å | 1.52Å | |
| C43 | C46 | sing | 1.54Å | 1.52Å | |
| C6 | C8 | sing | 1.48Å | 1.50Å | |
| C44 | C45 | sing | 1.54Å | 1.53Å | |
| C46 | C45 | sing | 1.54Å | 1.53Å | |
| O1 | C8 | doub | 1.22Å | 1.18Å | |
| C8 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| N1 | C13 | sing | 1.47Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C14 | sing | 1.51Å | 1.48Å | |
| C15 | C14 | doub | 1.38Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C16 | sing | 1.51Å | 1.51Å | |
| C20 | N2 | sing | 1.47Å | 1.42Å | |
| C16 | C17 | doub | 1.38Å | 1.36Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C35 | H1 | sing | 1.09Å | 1.10Å | |
| C35 | H2 | sing | 1.09Å | 1.10Å | |
| C34 | H3 | sing | 1.09Å | 1.10Å | |
| C34 | H4 | sing | 1.09Å | 1.10Å | |
| C33 | H5 | sing | 1.09Å | 1.10Å | |
| C41 | H6 | sing | 1.08Å | 1.08Å | |
| C40 | H7 | sing | 1.08Å | 1.08Å | |
| C39 | H8 | sing | 1.08Å | 1.08Å | |
| C42 | H9 | sing | 1.09Å | 1.10Å | |
| C42 | H10 | sing | 1.09Å | 1.10Å | |
| N5 | H11 | sing | 1.01Å | 1.00Å | |
| N5 | H12 | sing | 1.01Å | 1.00Å | |
| C37 | H14 | sing | 1.08Å | 1.08Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| O6 | H24 | sing | 0.97Å | 0.95Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C46 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C49 | H31 | sing | 1.09Å | 1.10Å | |
| C49 | H32 | sing | 1.09Å | 1.10Å | |
| C48 | H33 | sing | 1.09Å | 1.10Å | |
| C48 | H34 | sing | 1.09Å | 1.10Å | |
| C47 | H35 | sing | 1.09Å | 1.10Å | |
| C47 | H36 | sing | 1.09Å | 1.10Å | |
| O7 | H37 | sing | 0.97Å | 0.95Å | |
| N | H38 | sing | 0.97Å | 1.00Å | |
| C7 | H39 | sing | 1.08Å | 1.08Å | |
| C5 | H40 | sing | 1.08Å | 1.08Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C3 | H42 | sing | 1.08Å | 1.08Å | |
| C13 | H43 | sing | 1.09Å | 1.10Å | |
| C13 | H44 | sing | 1.09Å | 1.10Å | |
| C12 | H45 | sing | 1.09Å | 1.10Å | |
| C12 | H46 | sing | 1.09Å | 1.10Å | |
| C11 | H47 | sing | 1.09Å | 1.10Å | |
| C10 | H48 | sing | 1.09Å | 1.10Å | |
| C10 | H49 | sing | 1.09Å | 1.10Å | |
| C9 | H50 | sing | 1.09Å | 1.10Å | |
| C9 | H51 | sing | 1.09Å | 1.10Å | |
| C19 | H52 | sing | 1.08Å | 1.08Å | |
| C18 | H53 | sing | 1.08Å | 1.08Å | |
| C17 | H54 | sing | 1.08Å | 1.08Å | |
| C15 | H55 | sing | 1.08Å | 1.08Å | |
| C20 | H56 | sing | 1.09Å | 1.10Å | |
| C20 | H57 | sing | 1.09Å | 1.10Å | |
| N2 | H58 | sing | 1.01Å | 1.00Å | |
| N2 | H59 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C39 | C38 | 119.3° | 120.0° |
| C39 | C40 | C41 | 121.8° | 120.1° |
| C39 | C40 | H7 | 119.1° | 120.0° |
| C40 | C39 | H8 | 120.3° | 120.1° |
| C39 | C38 | C42 | 116.9° | 120.0° |
| C39 | C38 | C37 | 118.6° | 119.9° |
| C38 | C39 | H8 | 120.3° | 119.9° |
| C38 | C42 | N5 | 111.8° | 109.4° |
| C42 | C38 | C37 | 124.4° | 120.0° |
| C38 | C42 | H9 | 108.9° | 109.5° |
| C38 | C42 | H10 | 108.9° | 109.5° |
| N5 | C42 | H9 | 108.9° | 109.5° |
| N5 | C42 | H10 | 108.9° | 109.4° |
| C42 | N5 | H11 | 109.5° | 111.0° |
| C42 | N5 | H12 | 109.4° | 111.0° |
| C40 | C41 | C36 | 121.3° | 119.9° |
| C40 | C41 | H6 | 119.3° | 120.0° |
| C41 | C40 | H7 | 119.1° | 119.9° |
| C38 | C37 | C36 | 123.0° | 120.0° |
| C38 | C37 | H14 | 118.5° | 119.9° |
| C41 | C36 | C37 | 115.9° | 120.0° |
| C41 | C36 | C33 | 118.2° | 120.0° |
| C36 | C41 | H6 | 119.4° | 120.0° |
| C37 | C36 | C33 | 125.9° | 120.0° |
| C36 | C37 | H14 | 118.5° | 120.1° |
| C36 | C33 | C34 | 110.1° | 109.4° |
| C36 | C33 | C32 | 112.8° | 109.5° |
| C36 | C33 | H5 | 107.6° | 109.5° |
| C34 | C33 | C32 | 111.7° | 109.5° |
| C33 | C34 | C35 | 112.7° | 109.3° |
| C33 | C34 | H3 | 108.7° | 109.5° |
| C33 | C34 | H4 | 108.7° | 109.5° |
| C34 | C33 | H5 | 107.0° | 109.4° |
| C33 | C32 | C31 | 111.4° | 109.3° |
| C32 | C33 | H5 | 107.3° | 109.5° |
| C33 | C32 | H15 | 109.0° | 109.5° |
| C33 | C32 | H16 | 109.0° | 109.5° |
| C34 | C35 | N4 | 105.3° | 108.8° |
| C34 | C35 | H1 | 110.5° | 109.6° |
| C34 | C35 | H2 | 110.5° | 109.7° |
| C35 | C34 | H3 | 108.6° | 109.5° |
| C35 | C34 | H4 | 108.7° | 109.5° |
| C32 | C31 | N4 | 110.1° | 108.8° |
| C31 | C32 | H15 | 109.0° | 109.5° |
| C31 | C32 | H16 | 109.0° | 109.5° |
| C32 | C31 | H17 | 109.3° | 109.4° |
| C32 | C31 | H18 | 109.3° | 109.8° |
| C49 | C48 | C47 | 90.6° | 87.3° |
| C48 | C49 | C21 | 89.3° | 86.8° |
| C48 | C49 | H31 | 114.3° | 113.7° |
| C48 | C49 | H32 | 114.2° | 113.7° |
| C49 | C48 | H33 | 114.0° | 113.5° |
| C49 | C48 | H34 | 114.0° | 113.6° |
| C48 | C47 | C21 | 89.8° | 86.8° |
| C47 | C48 | H33 | 114.0° | 113.6° |
| C47 | C48 | H34 | 114.0° | 113.6° |
| C48 | C47 | H35 | 114.2° | 113.7° |
| C48 | C47 | H36 | 114.1° | 113.6° |
| C35 | N4 | C31 | 113.7° | 118.7° |
| C35 | N4 | C30 | 124.4° | 120.6° |
| N4 | C35 | H1 | 110.5° | 109.6° |
| N4 | C35 | H2 | 110.5° | 109.6° |
| C49 | C21 | C47 | 90.2° | 88.0° |
| C49 | C21 | C | 116.6° | 115.5° |
| C49 | C21 | O2 | 118.5° | 115.7° |
| C21 | C49 | H31 | 114.2° | 113.6° |
| C21 | C49 | H32 | 114.2° | 113.6° |
| O7 | C | C21 | 114.4° | 110.4° |
| O7 | C | O5 | 108.7° | 110.4° |
| O7 | C | C1 | 119.7° | 110.5° |
| C | O7 | H37 | 109.5° | 114.0° |
| C31 | N4 | C30 | 121.9° | 120.6° |
| N4 | C31 | H17 | 109.3° | 109.6° |
| N4 | C31 | H18 | 109.3° | 109.6° |
| N4 | C30 | C28 | 124.3° | 119.9° |
| N4 | C30 | O4 | 120.0° | 120.0° |
| C27 | C26 | C25 | 119.2° | 120.2° |
| C26 | C27 | C28 | 123.8° | 120.0° |
| C26 | C27 | H19 | 118.1° | 120.0° |
| C27 | C26 | H20 | 120.4° | 119.9° |
| C26 | C25 | C24 | 117.7° | 120.2° |
| C25 | C26 | H20 | 120.4° | 119.9° |
| C26 | C25 | H21 | 121.1° | 119.9° |
| C27 | C28 | C30 | 118.4° | 120.1° |
| C27 | C28 | C29 | 117.3° | 119.8° |
| C28 | C27 | H19 | 118.1° | 120.0° |
| C47 | C21 | C | 113.9° | 115.6° |
| C47 | C21 | O2 | 116.7° | 115.7° |
| C21 | C47 | H35 | 114.1° | 113.7° |
| C21 | C47 | H36 | 114.1° | 113.7° |
| C25 | C24 | C29 | 123.4° | 120.0° |
| C25 | C24 | N3 | 116.6° | 120.0° |
| C24 | C25 | H21 | 121.2° | 119.9° |
| C30 | C28 | C29 | 124.2° | 120.1° |
| C28 | C30 | O4 | 115.6° | 120.0° |
| C28 | C29 | C24 | 118.5° | 119.8° |
| C28 | C29 | H22 | 120.7° | 120.1° |
| C | C21 | O2 | 101.8° | 106.0° |
| C21 | C | O5 | 102.1° | 104.5° |
| C21 | C | C1 | 111.2° | 110.4° |
| C21 | O2 | C22 | 111.5° | 104.3° |
| C29 | C24 | N3 | 120.0° | 120.0° |
| C24 | C29 | H22 | 120.8° | 120.1° |
| C24 | N3 | C23 | 125.0° | 120.0° |
| C24 | N3 | H23 | 117.5° | 120.0° |
| O5 | C | C1 | 97.8° | 110.4° |
| C | O5 | C22 | 113.1° | 104.5° |
| C | C1 | N | 112.7° | 120.0° |
| C | C1 | O | 123.6° | 120.0° |
| N3 | C23 | C22 | 104.9° | 120.0° |
| N3 | C23 | O3 | 129.2° | 120.0° |
| C23 | N3 | H23 | 117.5° | 119.9° |
| O5 | C22 | O2 | 102.5° | 104.9° |
| O5 | C22 | C23 | 95.5° | 110.4° |
| O5 | C22 | C43 | 105.9° | 110.4° |
| N | C1 | O | 123.3° | 120.0° |
| C1 | N | C2 | 128.3° | 119.9° |
| C1 | N | H38 | 115.8° | 120.0° |
| C4 | C3 | C2 | 119.2° | 120.3° |
| C3 | C4 | C5 | 119.7° | 120.2° |
| C3 | C4 | H41 | 120.1° | 119.9° |
| C4 | C3 | H42 | 120.4° | 119.9° |
| C3 | C2 | N | 114.7° | 120.0° |
| C3 | C2 | C7 | 121.3° | 120.0° |
| C2 | C3 | H42 | 120.4° | 119.9° |
| O2 | C22 | C23 | 110.4° | 110.4° |
| O2 | C22 | C43 | 119.7° | 110.3° |
| N | C2 | C7 | 123.9° | 120.0° |
| C2 | N | H38 | 115.8° | 120.1° |
| C4 | C5 | C6 | 122.3° | 120.0° |
| C4 | C5 | H40 | 118.9° | 120.0° |
| C5 | C4 | H41 | 120.1° | 119.9° |
| C22 | C23 | O3 | 125.5° | 120.0° |
| C23 | C22 | C43 | 118.3° | 110.3° |
| C2 | C7 | C6 | 119.8° | 119.8° |
| C2 | C7 | H39 | 120.1° | 120.1° |
| C22 | C43 | O6 | 108.9° | 112.8° |
| C22 | C43 | C44 | 119.7° | 113.6° |
| C22 | C43 | C46 | 114.6° | 113.6° |
| C5 | C6 | C7 | 117.8° | 119.8° |
| C5 | C6 | C8 | 117.9° | 120.1° |
| C6 | C5 | H40 | 118.9° | 120.0° |
| C7 | C6 | C8 | 124.4° | 120.1° |
| C6 | C7 | H39 | 120.1° | 120.1° |
| O6 | C43 | C44 | 106.5° | 113.6° |
| O6 | C43 | C46 | 115.5° | 113.7° |
| C43 | O6 | H24 | 109.5° | 114.0° |
| C44 | C43 | C46 | 90.8° | 87.1° |
| C43 | C44 | C45 | 89.0° | 87.1° |
| C43 | C44 | H29 | 114.3° | 113.6° |
| C43 | C44 | H30 | 114.3° | 113.6° |
| C43 | C46 | C45 | 88.8° | 87.1° |
| C43 | C46 | H25 | 114.3° | 113.6° |
| C43 | C46 | H26 | 114.4° | 113.7° |
| C6 | C8 | O1 | 117.9° | 120.0° |
| C6 | C8 | N1 | 122.0° | 120.0° |
| C44 | C45 | C46 | 90.2° | 87.1° |
| C44 | C45 | H27 | 114.0° | 113.6° |
| C44 | C45 | H28 | 114.1° | 113.7° |
| C45 | C44 | H29 | 114.3° | 113.6° |
| C45 | C44 | H30 | 114.3° | 113.6° |
| C45 | C46 | H25 | 114.4° | 113.6° |
| C45 | C46 | H26 | 114.4° | 113.7° |
| C46 | C45 | H27 | 114.0° | 113.6° |
| C46 | C45 | H28 | 114.1° | 113.6° |
| O1 | C8 | N1 | 120.1° | 120.0° |
| C8 | N1 | C9 | 124.3° | 120.6° |
| C8 | N1 | C13 | 122.5° | 120.6° |
| C9 | N1 | C13 | 113.2° | 118.8° |
| N1 | C9 | C10 | 106.2° | 109.0° |
| N1 | C9 | H50 | 110.3° | 109.6° |
| N1 | C9 | H51 | 110.3° | 109.6° |
| N1 | C13 | C12 | 106.1° | 108.8° |
| N1 | C13 | H43 | 110.3° | 109.5° |
| N1 | C13 | H44 | 110.3° | 109.6° |
| C9 | C10 | C11 | 114.1° | 109.4° |
| C9 | C10 | H48 | 108.3° | 109.6° |
| C9 | C10 | H49 | 108.3° | 109.4° |
| C10 | C9 | H50 | 110.3° | 109.5° |
| C10 | C9 | H51 | 110.3° | 109.5° |
| C13 | C12 | C11 | 110.0° | 109.3° |
| C12 | C13 | H43 | 110.3° | 109.6° |
| C12 | C13 | H44 | 110.3° | 109.6° |
| C13 | C12 | H45 | 109.3° | 109.5° |
| C13 | C12 | H46 | 109.3° | 109.4° |
| C10 | C11 | C12 | 108.9° | 109.6° |
| C10 | C11 | C14 | 110.7° | 109.4° |
| C10 | C11 | H47 | 106.9° | 109.5° |
| C11 | C10 | H48 | 108.3° | 109.5° |
| C11 | C10 | H49 | 108.3° | 109.5° |
| C12 | C11 | C14 | 115.8° | 109.4° |
| C11 | C12 | H45 | 109.3° | 109.5° |
| C11 | C12 | H46 | 109.3° | 109.5° |
| C12 | C11 | H47 | 106.9° | 109.4° |
| C11 | C14 | C15 | 120.9° | 120.0° |
| C11 | C14 | C19 | 119.9° | 120.0° |
| C14 | C11 | H47 | 107.3° | 109.4° |
| C14 | C15 | C16 | 121.2° | 120.0° |
| C15 | C14 | C19 | 119.1° | 120.0° |
| C14 | C15 | H55 | 119.4° | 120.0° |
| C15 | C16 | C20 | 123.0° | 120.0° |
| C15 | C16 | C17 | 118.6° | 120.0° |
| C16 | C15 | H55 | 119.4° | 120.0° |
| C14 | C19 | C18 | 121.3° | 120.0° |
| C14 | C19 | H52 | 119.4° | 120.0° |
| C16 | C20 | N2 | 112.3° | 109.5° |
| C20 | C16 | C17 | 118.3° | 120.1° |
| C16 | C20 | H56 | 108.7° | 109.4° |
| C16 | C20 | H57 | 108.8° | 109.4° |
| N2 | C20 | H56 | 108.8° | 109.5° |
| N2 | C20 | H57 | 108.7° | 109.5° |
| C20 | N2 | H58 | 109.5° | 111.0° |
| C20 | N2 | H59 | 109.4° | 111.0° |
| C16 | C17 | C18 | 121.6° | 120.0° |
| C16 | C17 | H54 | 119.2° | 120.0° |
| C19 | C18 | C17 | 118.2° | 120.0° |
| C18 | C19 | H52 | 119.3° | 120.0° |
| C19 | C18 | H53 | 120.9° | 120.0° |
| C17 | C18 | H53 | 120.9° | 120.0° |
| C18 | C17 | H54 | 119.2° | 120.0° |
| H1 | C35 | H2 | 109.5° | 109.6° |
| H3 | C34 | H4 | 109.5° | 109.5° |
| H9 | C42 | H10 | 109.5° | 109.5° |
| H11 | N5 | H12 | 109.5° | 111.0° |
| H15 | C32 | H16 | 109.4° | 109.5° |
| H17 | C31 | H18 | 109.4° | 109.7° |
| H25 | C46 | H26 | 109.5° | 112.9° |
| H27 | C45 | H28 | 109.5° | 112.9° |
| H29 | C44 | H30 | 109.4° | 112.9° |
| H31 | C49 | H32 | 109.5° | 112.9° |
| H33 | C48 | H34 | 109.4° | 112.9° |
| H35 | C47 | H36 | 109.5° | 112.9° |
| H43 | C13 | H44 | 109.5° | 109.7° |
| H45 | C12 | H46 | 109.4° | 109.5° |
| H48 | C10 | H49 | 109.5° | 109.5° |
| H50 | C9 | H51 | 109.5° | 109.7° |
| H56 | C20 | H57 | 109.5° | 109.5° |
| H58 | N2 | H59 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C39 | C38 | H8 | 180.0° | 179.9° |
| C40 | C39 | C38 | C42 | 179.8° | 180.0° |
| C39 | C40 | C41 | H7 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 1.9° | 0.3° |
| C39 | C40 | C41 | C36 | 0.0° | 0.0° |
| C39 | C40 | C41 | H6 | 180.0° | 180.0° |
| C39 | C38 | C42 | C37 | 178.2° | 179.8° |
| C39 | C38 | C42 | N5 | 116.5° | 90.0° |
| C38 | C39 | C40 | C41 | 0.5° | 0.0° |
| C39 | C38 | C37 | C36 | 2.9° | 0.5° |
| C38 | C39 | C40 | H7 | 179.4° | 180.0° |
| C39 | C38 | C42 | H9 | 123.1° | 150.0° |
| C39 | C38 | C42 | H10 | 3.8° | 30.0° |
| C39 | C38 | C37 | H14 | 177.1° | 180.0° |
| C38 | C42 | N5 | H9 | 120.3° | 120.0° |
| C38 | C42 | N5 | H10 | 120.4° | 120.0° |
| C42 | C38 | C37 | C36 | 178.9° | 179.7° |
| C42 | C38 | C39 | H8 | 0.3° | 0.0° |
| C38 | C42 | H9 | H10 | 118.9° | 120.0° |
| C38 | C42 | N5 | H11 | 180.0° | 56.1° |
| C38 | C42 | N5 | H12 | 60.0° | 180.0° |
| C42 | C38 | C37 | H14 | 1.1° | 0.2° |
| N5 | C42 | C38 | C37 | 61.7° | 89.8° |
| N5 | C42 | H9 | H10 | 118.9° | 120.0° |
| C42 | N5 | H11 | H12 | 120.0° | 123.9° |
| C40 | C41 | C36 | H6 | 180.0° | 180.0° |
| C40 | C41 | C36 | C37 | 0.8° | 0.3° |
| C40 | C41 | C36 | C33 | 178.2° | 179.9° |
| C41 | C40 | C39 | H8 | 179.4° | 179.9° |
| C38 | C37 | C36 | C41 | 2.3° | 0.5° |
| C38 | C37 | C36 | H14 | 180.0° | 179.5° |
| C38 | C37 | C36 | C33 | 176.6° | 179.7° |
| C37 | C38 | C39 | H8 | 178.0° | 179.8° |
| C37 | C38 | C42 | H9 | 58.7° | 30.2° |
| C37 | C38 | C42 | H10 | 178.0° | 150.3° |
| C41 | C36 | C37 | C33 | 178.9° | 179.8° |
| C41 | C36 | C33 | C34 | 91.8° | 60.0° |
| C41 | C36 | C33 | C32 | 142.7° | 60.0° |
| C41 | C36 | C33 | H5 | 24.5° | 180.0° |
| C36 | C41 | C40 | H7 | 180.0° | 180.0° |
| C41 | C36 | C37 | H14 | 177.7° | 180.0° |
| C37 | C36 | C33 | C34 | 87.1° | 119.8° |
| C37 | C36 | C33 | C32 | 38.4° | 120.2° |
| C37 | C36 | C33 | H5 | 156.6° | 0.2° |
| C37 | C36 | C41 | H6 | 179.2° | 179.7° |
| C36 | C33 | C34 | C32 | 126.2° | 120.0° |
| C36 | C33 | C34 | H5 | 116.6° | 120.0° |
| C36 | C33 | C32 | H5 | 118.3° | 120.0° |
| C36 | C33 | C34 | C35 | 177.6° | 178.6° |
| C36 | C33 | C32 | C31 | 171.7° | 178.6° |
| C36 | C33 | C34 | H3 | 62.0° | 61.4° |
| C36 | C33 | C34 | H4 | 57.1° | 58.7° |
| C33 | C36 | C41 | H6 | 1.8° | 0.0° |
| C33 | C36 | C37 | H14 | 3.4° | 0.2° |
| C36 | C33 | C32 | H15 | 51.4° | 61.4° |
| C36 | C33 | C32 | H16 | 68.0° | 58.7° |
| C34 | C33 | C32 | H5 | 117.0° | 120.0° |
| C33 | C34 | C35 | H3 | 120.5° | 119.9° |
| C33 | C34 | C35 | H4 | 120.5° | 120.0° |
| C34 | C33 | C32 | C31 | 47.1° | 61.4° |
| C33 | C34 | C35 | N4 | 57.3° | 54.7° |
| C33 | C34 | C35 | H1 | 62.1° | 174.4° |
| C33 | C34 | C35 | H2 | 176.6° | 65.2° |
| C33 | C34 | H3 | H4 | 118.5° | 120.1° |
| C34 | C33 | C32 | H15 | 73.2° | 58.6° |
| C34 | C33 | C32 | H16 | 167.4° | 178.7° |
| C32 | C33 | C34 | C35 | 51.4° | 61.4° |
| C33 | C32 | C31 | H15 | 120.3° | 120.0° |
| C33 | C32 | C31 | H16 | 120.3° | 119.9° |
| C33 | C32 | C31 | N4 | 52.1° | 54.7° |
| C32 | C33 | C34 | H3 | 171.9° | 58.6° |
| C32 | C33 | C34 | H4 | 69.1° | 178.6° |
| C33 | C32 | H15 | H16 | 119.1° | 120.1° |
| C33 | C32 | C31 | H17 | 172.2° | 65.0° |
| C33 | C32 | C31 | H18 | 68.0° | 174.6° |
| C34 | C35 | N4 | H1 | 119.3° | 119.8° |
| C34 | C35 | N4 | H2 | 119.3° | 119.9° |
| C34 | C35 | N4 | C31 | 64.6° | 53.7° |
| C34 | C35 | N4 | C30 | 114.5° | 126.7° |
| C34 | C35 | H1 | H2 | 121.9° | 120.4° |
| C35 | C34 | H3 | H4 | 118.5° | 120.1° |
| C35 | C34 | C33 | H5 | 65.8° | 58.6° |
| C32 | C31 | N4 | C35 | 63.7° | 53.6° |
| C32 | C31 | N4 | H17 | 120.1° | 119.5° |
| C32 | C31 | N4 | H18 | 120.1° | 120.1° |
| C32 | C31 | N4 | C30 | 115.5° | 126.7° |
| C31 | C32 | C33 | H5 | 70.0° | 58.6° |
| C31 | C32 | H15 | H16 | 119.1° | 120.0° |
| C32 | C31 | H17 | H18 | 119.7° | 120.5° |
| C49 | C48 | C47 | H33 | 116.7° | 114.5° |
| C49 | C48 | C47 | H34 | 116.7° | 114.6° |
| C48 | C49 | C21 | H31 | 116.4° | 114.5° |
| C48 | C49 | C21 | H32 | 116.4° | 114.6° |
| C49 | C48 | C47 | C21 | 1.7° | 24.7° |
| C48 | C49 | C21 | C | 118.6° | 142.4° |
| C48 | C49 | C21 | O2 | 119.3° | 92.8° |
| C48 | C49 | H31 | H32 | 129.6° | 131.5° |
| C49 | C48 | H33 | H34 | 128.9° | 131.2° |
| C49 | C48 | C47 | H35 | 118.2° | 89.8° |
| C49 | C48 | C47 | H36 | 114.8° | 139.2° |
| C48 | C47 | C21 | H35 | 116.5° | 114.5° |
| C48 | C47 | C21 | H36 | 116.5° | 114.5° |
| C48 | C47 | C21 | C | 121.1° | 142.4° |
| C48 | C47 | C21 | O2 | 120.7° | 92.8° |
| C47 | C48 | C49 | H31 | 114.7° | 139.2° |
| C47 | C48 | C49 | H32 | 118.1° | 89.7° |
| C47 | C48 | H33 | H34 | 128.9° | 131.2° |
| C48 | C47 | H35 | H36 | 129.3° | 131.3° |
| C35 | N4 | C31 | C30 | 179.2° | 179.7° |
| C35 | N4 | C30 | C28 | 2.0° | 175.9° |
| C35 | N4 | C30 | O4 | 176.8° | 4.4° |
| N4 | C35 | H1 | H2 | 122.0° | 120.3° |
| N4 | C35 | C34 | H3 | 177.8° | 65.3° |
| N4 | C35 | C34 | H4 | 63.2° | 174.6° |
| C35 | N4 | C31 | H17 | 176.2° | 65.8° |
| C35 | N4 | C31 | H18 | 56.4° | 173.7° |
| C49 | C21 | C | O7 | 15.5° | 11.2° |
| C49 | C21 | C47 | C | 119.4° | 117.5° |
| C49 | C21 | C47 | O2 | 122.4° | 117.7° |
| C49 | C21 | C | O2 | 130.5° | 129.6° |
| C49 | C21 | C | O5 | 101.7° | 130.0° |
| C49 | C21 | C | C1 | 154.8° | 111.3° |
| C49 | C21 | O2 | C22 | 107.4° | 106.6° |
| C21 | C49 | H31 | H32 | 129.6° | 131.3° |
| C21 | C49 | C48 | H33 | 115.0° | 89.8° |
| C21 | C49 | C48 | H34 | 118.4° | 139.4° |
| C49 | C21 | C47 | H35 | 118.2° | 89.6° |
| C49 | C21 | C47 | H36 | 114.9° | 139.4° |
| O7 | C | C21 | C47 | 87.5° | 111.9° |
| O7 | C | C21 | O5 | 117.2° | 118.8° |
| O7 | C | C21 | C1 | 139.4° | 122.5° |
| O7 | C | C21 | O2 | 145.9° | 118.4° |
| O7 | C | O5 | C1 | 125.0° | 122.5° |
| O7 | C | O5 | C22 | 149.3° | 95.3° |
| O7 | C | C1 | N | 54.3° | 177.4° |
| O7 | C | C1 | O | 133.1° | 2.5° |
| C31 | N4 | C30 | C28 | 178.9° | 4.4° |
| C31 | N4 | C30 | O4 | 2.2° | 175.3° |
| C31 | N4 | C35 | H1 | 54.7° | 173.4° |
| C31 | N4 | C35 | H2 | 176.0° | 66.3° |
| N4 | C31 | C32 | H15 | 68.3° | 65.3° |
| N4 | C31 | C32 | H16 | 172.3° | 174.6° |
| N4 | C31 | H17 | H18 | 119.7° | 120.4° |
| N4 | C30 | C28 | C27 | 126.9° | 46.3° |
| N4 | C30 | C28 | O4 | 178.9° | 179.7° |
| N4 | C30 | C28 | C29 | 55.2° | 134.0° |
| C30 | N4 | C35 | H1 | 126.2° | 6.9° |
| C30 | N4 | C35 | H2 | 4.8° | 113.4° |
| C30 | N4 | C31 | H17 | 4.6° | 113.8° |
| C30 | N4 | C31 | H18 | 124.4° | 6.6° |
| C27 | C26 | C25 | H20 | 180.0° | 180.0° |
| C26 | C27 | C28 | H19 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C26 | C27 | C28 | C30 | 178.9° | 180.0° |
| C26 | C27 | C28 | C29 | 0.9° | 0.3° |
| C27 | C26 | C25 | H21 | 179.7° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C26 | C25 | C24 | H21 | 180.0° | 179.9° |
| C26 | C25 | C24 | C29 | 0.7° | 0.3° |
| C26 | C25 | C24 | N3 | 177.9° | 180.0° |
| C25 | C26 | C27 | H19 | 179.6° | 180.0° |
| C27 | C28 | C30 | C29 | 177.9° | 179.7° |
| C27 | C28 | C30 | O4 | 52.0° | 133.4° |
| C27 | C28 | C29 | C24 | 1.2° | 0.6° |
| C28 | C27 | C26 | H20 | 179.6° | 180.0° |
| C27 | C28 | C29 | H22 | 178.8° | 179.7° |
| C47 | C21 | C | O2 | 126.5° | 129.7° |
| C47 | C21 | C | O5 | 155.3° | 129.3° |
| C47 | C21 | C | C1 | 51.8° | 10.5° |
| C47 | C21 | O2 | C22 | 146.5° | 152.4° |
| C47 | C21 | C49 | H31 | 114.8° | 139.4° |
| C47 | C21 | C49 | H32 | 118.1° | 89.6° |
| C21 | C47 | C48 | H33 | 115.0° | 89.8° |
| C21 | C47 | C48 | H34 | 118.4° | 139.4° |
| C21 | C47 | H35 | H36 | 129.3° | 131.4° |
| C25 | C24 | C29 | C28 | 1.2° | 0.6° |
| C25 | C24 | C29 | N3 | 178.6° | 179.7° |
| C25 | C24 | N3 | C23 | 86.6° | 30.8° |
| C24 | C25 | C26 | H20 | 179.7° | 180.0° |
| C25 | C24 | C29 | H22 | 178.8° | 179.7° |
| C25 | C24 | N3 | H23 | 93.4° | 149.3° |
| C30 | C28 | C29 | C24 | 179.1° | 179.7° |
| C30 | C28 | C27 | H19 | 1.1° | 0.0° |
| C30 | C28 | C29 | H22 | 0.9° | 0.1° |
| C29 | C28 | C30 | O4 | 125.9° | 46.3° |
| C28 | C29 | C24 | H22 | 180.0° | 179.8° |
| C28 | C29 | C24 | N3 | 177.4° | 179.7° |
| C29 | C28 | C27 | H19 | 179.1° | 179.7° |
| C21 | C | O5 | C1 | 113.8° | 118.8° |
| C21 | C | O5 | C22 | 28.1° | 23.5° |
| C21 | C | C1 | N | 168.7° | 55.0° |
| C21 | C | C1 | O | 3.9° | 125.0° |
| C | C21 | O2 | C22 | 21.9° | 22.9° |
| C | C21 | C49 | H31 | 2.2° | 103.1° |
| C | C21 | C49 | H32 | 125.0° | 27.9° |
| C | C21 | C47 | H35 | 122.4° | 28.0° |
| C | C21 | C47 | H36 | 4.5° | 103.1° |
| C21 | C | O7 | H37 | 180.0° | 180.0° |
| O2 | C21 | C | O5 | 28.8° | 0.4° |
| O2 | C21 | C | C1 | 74.7° | 119.1° |
| C21 | O2 | C22 | O5 | 5.9° | 38.4° |
| C21 | O2 | C22 | C23 | 94.8° | 80.6° |
| C21 | O2 | C22 | C43 | 122.6° | 157.3° |
| O2 | C21 | C49 | H31 | 124.3° | 21.7° |
| O2 | C21 | C49 | H32 | 2.8° | 152.6° |
| O2 | C21 | C47 | H35 | 4.2° | 152.7° |
| O2 | C21 | C47 | H36 | 122.8° | 21.7° |
| C29 | C24 | N3 | C23 | 94.6° | 149.5° |
| C29 | C24 | C25 | H21 | 179.3° | 179.7° |
| C29 | C24 | N3 | H23 | 85.3° | 30.4° |
| C24 | N3 | C23 | H23 | 180.0° | 179.9° |
| C24 | N3 | C23 | C22 | 133.0° | 175.0° |
| C24 | N3 | C23 | O3 | 53.8° | 5.0° |
| N3 | C24 | C25 | H21 | 2.1° | 0.0° |
| N3 | C24 | C29 | H22 | 2.6° | 0.1° |
| O5 | C | C1 | N | 62.5° | 60.1° |
| O5 | C | C1 | O | 110.1° | 119.9° |
| C | O5 | C22 | O2 | 14.9° | 38.8° |
| C | O5 | C22 | C23 | 127.3° | 80.2° |
| C | O5 | C22 | C43 | 111.2° | 157.6° |
| O5 | C | O7 | H37 | 66.7° | 64.9° |
| C1 | C | O5 | C22 | 85.7° | 142.3° |
| C | C1 | N | O | 172.6° | 179.9° |
| C | C1 | N | C2 | 162.5° | 175.5° |
| C1 | C | O7 | H37 | 44.3° | 57.6° |
| C | C1 | N | H38 | 17.4° | 4.4° |
| N3 | C23 | C22 | O5 | 75.4° | 177.2° |
| N3 | C23 | C22 | O2 | 30.1° | 67.2° |
| N3 | C23 | C22 | O3 | 173.5° | 180.0° |
| N3 | C23 | C22 | C43 | 173.3° | 55.0° |
| O5 | C22 | O2 | C23 | 100.8° | 119.0° |
| O5 | C22 | O2 | C43 | 116.6° | 118.9° |
| O5 | C22 | C23 | C43 | 111.3° | 122.2° |
| O5 | C22 | C23 | O3 | 98.1° | 2.7° |
| O5 | C22 | C43 | O6 | 2.2° | 165.9° |
| O5 | C22 | C43 | C44 | 120.5° | 63.0° |
| O5 | C22 | C43 | C46 | 133.3° | 34.5° |
| C1 | N | C2 | C3 | 126.1° | 146.6° |
| C1 | N | C2 | H38 | 180.0° | 180.0° |
| C1 | N | C2 | C7 | 57.7° | 33.7° |
| O | C1 | N | C2 | 24.8° | 4.5° |
| O | C1 | N | H38 | 155.2° | 175.5° |
| C4 | C3 | C2 | H42 | 180.0° | 179.5° |
| C4 | C3 | C2 | N | 177.0° | 179.8° |
| C3 | C4 | C5 | H41 | 180.0° | 179.7° |
| C4 | C3 | C2 | C7 | 0.7° | 0.5° |
| C3 | C4 | C5 | C6 | 1.2° | 0.3° |
| C3 | C4 | C5 | H40 | 178.8° | 179.7° |
| C3 | C2 | N | C7 | 176.2° | 179.7° |
| C2 | C3 | C4 | C5 | 0.6° | 0.5° |
| C3 | C2 | C7 | C6 | 1.4° | 0.2° |
| C3 | C2 | N | H38 | 53.8° | 33.4° |
| C3 | C2 | C7 | H39 | 178.6° | 179.7° |
| C2 | C3 | C4 | H41 | 179.5° | 179.7° |
| O2 | C22 | C23 | C43 | 143.2° | 122.2° |
| O2 | C22 | C23 | O3 | 156.4° | 112.8° |
| O2 | C22 | C43 | O6 | 117.1° | 50.3° |
| O2 | C22 | C43 | C44 | 5.6° | 178.5° |
| O2 | C22 | C43 | C46 | 111.8° | 81.0° |
| N | C2 | C7 | C6 | 177.3° | 179.9° |
| N | C2 | C7 | H39 | 2.7° | 0.0° |
| N | C2 | C3 | H42 | 3.0° | 0.3° |
| C4 | C5 | C6 | H40 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.8° | 0.0° |
| C4 | C5 | C6 | C8 | 179.0° | 180.0° |
| C5 | C4 | C3 | H42 | 179.4° | 180.0° |
| C23 | C22 | C43 | O6 | 103.2° | 71.9° |
| C23 | C22 | C43 | C44 | 134.1° | 59.3° |
| C23 | C22 | C43 | C46 | 27.9° | 156.8° |
| C22 | C23 | N3 | H23 | 47.0° | 5.1° |
| O3 | C23 | C22 | C43 | 13.2° | 125.0° |
| O3 | C23 | N3 | H23 | 126.3° | 175.0° |
| C2 | C7 | C6 | C5 | 1.9° | 0.1° |
| C2 | C7 | C6 | H39 | 180.0° | 180.0° |
| C2 | C7 | C6 | C8 | 179.0° | 180.0° |
| C7 | C2 | N | H38 | 122.3° | 146.3° |
| C7 | C2 | C3 | H42 | 179.3° | 180.0° |
| C22 | C43 | O6 | C44 | 130.3° | 131.2° |
| C22 | C43 | O6 | C46 | 130.6° | 131.3° |
| C22 | C43 | C44 | C46 | 119.2° | 114.5° |
| C22 | C43 | C44 | C45 | 127.4° | 140.0° |
| C22 | C43 | C46 | C45 | 131.6° | 140.0° |
| C22 | C43 | O6 | H24 | 180.0° | 180.0° |
| C22 | C43 | C46 | H25 | 112.0° | 105.5° |
| C22 | C43 | C46 | H26 | 15.3° | 25.4° |
| C22 | C43 | C44 | H29 | 11.0° | 25.4° |
| C22 | C43 | C44 | H30 | 116.2° | 105.5° |
| C5 | C6 | C7 | C8 | 179.1° | 179.9° |
| C5 | C6 | C8 | O1 | 51.9° | 139.9° |
| C5 | C6 | C8 | N1 | 127.0° | 40.1° |
| C5 | C6 | C7 | H39 | 178.1° | 180.0° |
| C6 | C5 | C4 | H41 | 178.8° | 180.0° |
| C7 | C6 | C8 | O1 | 129.0° | 40.1° |
| C7 | C6 | C8 | N1 | 52.1° | 139.8° |
| C7 | C6 | C5 | H40 | 178.2° | 180.0° |
| O6 | C43 | C44 | C46 | 116.9° | 114.7° |
| O6 | C43 | C44 | C45 | 108.7° | 89.2° |
| O6 | C43 | C46 | C45 | 100.5° | 89.1° |
| O6 | C43 | C46 | H25 | 15.8° | 25.4° |
| O6 | C43 | C46 | H26 | 143.1° | 156.3° |
| O6 | C43 | C44 | H29 | 134.9° | 156.2° |
| O6 | C43 | C44 | H30 | 7.6° | 25.3° |
| C43 | C44 | C45 | H29 | 116.4° | 114.5° |
| C43 | C44 | C45 | H30 | 116.4° | 114.5° |
| C44 | C43 | C46 | C45 | 8.2° | 25.5° |
| C44 | C43 | O6 | H24 | 49.7° | 48.8° |
| C44 | C43 | C46 | H25 | 124.5° | 140.0° |
| C44 | C43 | C46 | H26 | 108.1° | 89.2° |
| C43 | C44 | C45 | H27 | 124.7° | 89.1° |
| C43 | C44 | C45 | H28 | 108.5° | 140.0° |
| C43 | C44 | H29 | H30 | 129.7° | 131.2° |
| C43 | C46 | C45 | H25 | 116.3° | 114.5° |
| C43 | C46 | C45 | H26 | 116.3° | 114.6° |
| C46 | C43 | O6 | H24 | 49.4° | 48.7° |
| C43 | C46 | H25 | H26 | 129.8° | 131.3° |
| C43 | C46 | C45 | H27 | 124.7° | 89.1° |
| C43 | C46 | C45 | H28 | 108.5° | 140.1° |
| C46 | C43 | C44 | H29 | 108.2° | 89.1° |
| C46 | C43 | C44 | H30 | 124.6° | 140.0° |
| C6 | C8 | O1 | N1 | 178.9° | 180.0° |
| C6 | C8 | N1 | C9 | 13.1° | 173.9° |
| C6 | C8 | N1 | C13 | 167.6° | 6.4° |
| C8 | C6 | C7 | H39 | 1.0° | 0.1° |
| C8 | C6 | C5 | H40 | 1.0° | 0.0° |
| C44 | C45 | C46 | H27 | 116.6° | 114.5° |
| C44 | C45 | C46 | H28 | 116.6° | 114.6° |
| C44 | C45 | C46 | H25 | 124.5° | 140.0° |
| C44 | C45 | C46 | H26 | 108.2° | 89.2° |
| C44 | C45 | H27 | H28 | 129.2° | 131.3° |
| C45 | C44 | H29 | H30 | 129.7° | 131.3° |
| C45 | C46 | H25 | H26 | 129.8° | 131.3° |
| C46 | C45 | H27 | H28 | 129.2° | 131.2° |
| C46 | C45 | C44 | H29 | 108.2° | 89.1° |
| C46 | C45 | C44 | H30 | 124.5° | 140.0° |
| O1 | C8 | N1 | C9 | 165.8° | 6.1° |
| O1 | C8 | N1 | C13 | 13.6° | 173.6° |
| C8 | N1 | C9 | C13 | 179.4° | 179.7° |
| C8 | N1 | C9 | C10 | 115.9° | 126.4° |
| C8 | N1 | C13 | C12 | 110.5° | 126.4° |
| C8 | N1 | C13 | H43 | 130.0° | 113.9° |
| C8 | N1 | C13 | H44 | 9.0° | 6.6° |
| C8 | N1 | C9 | H50 | 3.5° | 6.6° |
| C8 | N1 | C9 | H51 | 124.6° | 113.8° |
| N1 | C9 | C10 | H50 | 119.5° | 119.9° |
| N1 | C9 | C10 | H51 | 119.5° | 119.8° |
| C9 | N1 | C13 | C12 | 68.9° | 53.3° |
| N1 | C9 | C10 | C11 | 53.3° | 54.4° |
| C9 | N1 | C13 | H43 | 50.6° | 66.4° |
| C9 | N1 | C13 | H44 | 171.6° | 173.1° |
| N1 | C9 | C10 | H48 | 67.4° | 174.4° |
| N1 | C9 | C10 | H49 | 173.9° | 65.5° |
| N1 | C9 | H50 | H51 | 121.5° | 120.3° |
| C13 | N1 | C9 | C10 | 63.5° | 53.2° |
| N1 | C13 | C12 | H43 | 119.5° | 119.7° |
| N1 | C13 | C12 | H44 | 119.5° | 119.8° |
| N1 | C13 | C12 | C11 | 62.3° | 54.6° |
| N1 | C13 | H43 | H44 | 121.5° | 120.4° |
| N1 | C13 | C12 | H45 | 177.6° | 174.6° |
| N1 | C13 | C12 | H46 | 57.8° | 65.4° |
| C13 | N1 | C9 | H50 | 177.1° | 173.1° |
| C13 | N1 | C9 | H51 | 56.1° | 66.5° |
| C9 | C10 | C11 | H48 | 120.7° | 120.1° |
| C9 | C10 | C11 | H49 | 120.7° | 119.8° |
| C9 | C10 | C11 | C12 | 51.1° | 61.2° |
| C9 | C10 | C11 | C14 | 179.4° | 178.8° |
| C9 | C10 | C11 | H47 | 64.1° | 58.8° |
| C9 | C10 | H48 | H49 | 117.9° | 120.0° |
| C10 | C9 | H50 | H51 | 121.5° | 120.1° |
| C13 | C12 | C11 | C10 | 54.2° | 61.4° |
| C13 | C12 | C11 | H45 | 120.1° | 120.0° |
| C13 | C12 | C11 | H46 | 120.1° | 119.9° |
| C13 | C12 | C11 | C14 | 179.7° | 178.6° |
| C12 | C13 | H43 | H44 | 121.6° | 120.4° |
| C13 | C12 | H45 | H46 | 119.7° | 120.0° |
| C13 | C12 | C11 | H47 | 60.9° | 58.7° |
| C10 | C11 | C12 | C14 | 125.4° | 120.0° |
| C10 | C11 | C12 | H47 | 115.1° | 120.1° |
| C10 | C11 | C14 | H47 | 116.2° | 120.0° |
| C10 | C11 | C14 | C15 | 86.4° | 119.7° |
| C10 | C11 | C14 | C19 | 90.8° | 60.1° |
| C10 | C11 | C12 | H45 | 174.4° | 178.7° |
| C10 | C11 | C12 | H46 | 65.8° | 58.5° |
| C11 | C10 | H48 | H49 | 117.9° | 120.1° |
| C11 | C10 | C9 | H50 | 172.8° | 174.3° |
| C11 | C10 | C9 | H51 | 66.2° | 65.5° |
| C12 | C11 | C14 | H47 | 119.3° | 119.9° |
| C12 | C11 | C14 | C15 | 38.1° | 120.2° |
| C12 | C11 | C14 | C19 | 144.7° | 60.0° |
| C11 | C12 | C13 | H43 | 57.2° | 65.1° |
| C11 | C12 | C13 | H44 | 178.3° | 174.4° |
| C11 | C12 | H45 | H46 | 119.7° | 120.1° |
| C12 | C11 | C10 | H48 | 69.6° | 178.7° |
| C12 | C11 | C10 | H49 | 171.8° | 58.6° |
| C11 | C14 | C15 | C19 | 177.2° | 179.7° |
| C11 | C14 | C15 | C16 | 178.6° | 179.7° |
| C11 | C14 | C19 | C18 | 177.9° | 180.0° |
| C14 | C11 | C12 | H45 | 60.2° | 58.7° |
| C14 | C11 | C12 | H46 | 59.6° | 61.5° |
| C14 | C11 | C10 | H48 | 58.8° | 58.7° |
| C14 | C11 | C10 | H49 | 59.9° | 61.4° |
| C11 | C14 | C19 | H52 | 2.1° | 0.1° |
| C11 | C14 | C15 | H55 | 1.4° | 0.0° |
| C14 | C15 | C16 | H55 | 180.0° | 179.7° |
| C14 | C15 | C16 | C20 | 178.5° | 179.8° |
| C14 | C15 | C16 | C17 | 2.1° | 0.6° |
| C15 | C14 | C19 | C18 | 0.7° | 0.3° |
| C15 | C14 | C11 | H47 | 157.4° | 0.3° |
| C15 | C14 | C19 | H52 | 179.3° | 179.8° |
| C16 | C15 | C14 | C19 | 1.4° | 0.6° |
| C15 | C16 | C20 | C17 | 176.4° | 179.7° |
| C15 | C16 | C20 | N2 | 73.0° | 89.7° |
| C15 | C16 | C17 | C18 | 2.2° | 0.3° |
| C15 | C16 | C17 | H54 | 177.8° | 179.7° |
| C15 | C16 | C20 | H56 | 47.5° | 30.3° |
| C15 | C16 | C20 | H57 | 166.6° | 150.3° |
| C14 | C19 | C18 | H52 | 180.0° | 179.9° |
| C14 | C19 | C18 | C17 | 0.7° | 0.1° |
| C19 | C14 | C11 | H47 | 25.4° | 179.9° |
| C14 | C19 | C18 | H53 | 179.3° | 180.0° |
| C19 | C14 | C15 | H55 | 178.6° | 179.7° |
| C16 | C20 | N2 | H56 | 120.4° | 120.0° |
| C16 | C20 | N2 | H57 | 120.4° | 120.0° |
| C20 | C16 | C17 | C18 | 178.7° | 180.0° |
| C20 | C16 | C17 | H54 | 1.3° | 0.1° |
| C20 | C16 | C15 | H55 | 1.5° | 0.1° |
| C16 | C20 | H56 | H57 | 118.7° | 119.9° |
| C16 | C20 | N2 | H58 | 180.0° | 56.1° |
| C16 | C20 | N2 | H59 | 60.0° | 180.0° |
| N2 | C20 | C16 | C17 | 110.6° | 89.9° |
| N2 | C20 | H56 | H57 | 118.7° | 120.1° |
| C20 | N2 | H58 | H59 | 120.0° | 123.9° |
| C16 | C17 | C18 | C19 | 1.5° | 0.1° |
| C16 | C17 | C18 | H54 | 180.0° | 179.9° |
| C16 | C17 | C18 | H53 | 178.5° | 180.0° |
| C17 | C16 | C15 | H55 | 177.9° | 179.7° |
| C17 | C16 | C20 | H56 | 128.9° | 150.0° |
| C17 | C16 | C20 | H57 | 9.8° | 30.1° |
| C19 | C18 | C17 | H53 | 180.0° | 180.0° |
| C19 | C18 | C17 | H54 | 178.5° | 180.0° |
| C17 | C18 | C19 | H52 | 179.3° | 180.0° |
| H1 | C35 | C34 | H3 | 58.4° | 54.5° |
| H1 | C35 | C34 | H4 | 177.4° | 65.6° |
| H2 | C35 | C34 | H3 | 62.9° | 174.9° |
| H2 | C35 | C34 | H4 | 56.2° | 54.8° |
| H3 | C34 | C33 | H5 | 54.7° | 178.6° |
| H4 | C34 | C33 | H5 | 173.7° | 61.3° |
| H5 | C33 | C32 | H15 | 169.8° | 178.6° |
| H5 | C33 | C32 | H16 | 50.4° | 61.3° |
| H6 | C41 | C40 | H7 | 0.0° | 0.0° |
| H7 | C40 | C39 | H8 | 0.6° | 0.0° |
| H9 | C42 | N5 | H11 | 59.6° | 63.9° |
| H9 | C42 | N5 | H12 | 179.7° | 60.0° |
| H10 | C42 | N5 | H11 | 59.7° | 176.1° |
| H10 | C42 | N5 | H12 | 60.4° | 60.0° |
| H15 | C32 | C31 | H17 | 51.9° | 175.1° |
| H15 | C32 | C31 | H18 | 171.6° | 54.6° |
| H16 | C32 | C31 | H17 | 67.5° | 55.0° |
| H16 | C32 | C31 | H18 | 52.2° | 65.5° |
| H19 | C27 | C26 | H20 | 0.4° | 0.0° |
| H20 | C26 | C25 | H21 | 0.3° | 0.0° |
| H25 | C46 | C45 | H27 | 119.0° | 25.4° |
| H25 | C46 | C45 | H28 | 7.9° | 105.4° |
| H26 | C46 | C45 | H27 | 8.4° | 156.3° |
| H26 | C46 | C45 | H28 | 135.2° | 25.5° |
| H27 | C45 | C44 | H29 | 8.4° | 156.3° |
| H27 | C45 | C44 | H30 | 118.9° | 25.4° |
| H28 | C45 | C44 | H29 | 135.2° | 25.4° |
| H28 | C45 | C44 | H30 | 7.9° | 105.5° |
| H31 | C49 | C48 | H33 | 128.6° | 24.6° |
| H31 | C49 | C48 | H34 | 2.0° | 106.2° |
| H32 | C49 | C48 | H33 | 1.4° | 155.7° |
| H32 | C49 | C48 | H34 | 125.2° | 24.9° |
| H33 | C48 | C47 | H35 | 1.5° | 155.7° |
| H33 | C48 | C47 | H36 | 128.4° | 24.7° |
| H34 | C48 | C47 | H35 | 125.1° | 24.8° |
| H34 | C48 | C47 | H36 | 1.9° | 106.2° |
| H40 | C5 | C4 | H41 | 1.2° | 0.0° |
| H41 | C4 | C3 | H42 | 0.6° | 0.3° |
| H43 | C13 | C12 | H45 | 62.9° | 54.9° |
| H43 | C13 | C12 | H46 | 177.3° | 174.9° |
| H44 | C13 | C12 | H45 | 58.2° | 65.6° |
| H44 | C13 | C12 | H46 | 61.6° | 54.5° |
| H45 | C12 | C11 | H47 | 59.2° | 61.3° |
| H46 | C12 | C11 | H47 | 179.0° | 178.6° |
| H47 | C11 | C10 | H48 | 175.3° | 61.3° |
| H47 | C11 | C10 | H49 | 56.6° | 178.6° |
| H48 | C10 | C9 | H50 | 52.1° | 65.7° |
| H48 | C10 | C9 | H51 | 173.1° | 54.6° |
| H49 | C10 | C9 | H50 | 66.6° | 54.4° |
| H49 | C10 | C9 | H51 | 54.5° | 174.6° |
| H52 | C19 | C18 | H53 | 0.7° | 0.1° |
| H53 | C18 | C17 | H54 | 1.5° | 0.0° |
| H56 | C20 | N2 | H58 | 59.6° | 63.9° |
| H56 | C20 | N2 | H59 | 179.6° | 60.1° |
| H57 | C20 | N2 | H58 | 59.6° | 176.1° |
| H57 | C20 | N2 | H59 | 60.4° | 60.0° |
