PRD_000210
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.43Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.50Å | 1.53Å | |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | doub | 1.38Å | 1.47Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.47Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.47Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.40Å | 1.47Å | Aromatic |
| C6 | O2 | sing | 1.36Å | 1.38Å | |
| C6 | C7 | sing | 1.39Å | 1.47Å | Aromatic |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | doub | 1.38Å | 1.47Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| O3 | C9 | sing | 1.38Å | 1.38Å | |
| C9 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.73Å | |
| C11 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.50Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.50Å | 1.52Å | |
| C16 | N2 | sing | 1.47Å | 1.45Å | |
| C17 | O4 | doub | 1.21Å | 1.22Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N3 | C24 | sing | 1.48Å | 1.45Å | |
| O5 | C18 | sing | 1.36Å | 1.38Å | |
| C18 | C19 | sing | 1.39Å | 1.47Å | Aromatic |
| C18 | C20 | doub | 1.39Å | 1.48Å | Aromatic |
| C19 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.47Å | Aromatic |
| C21 | O6 | sing | 1.35Å | 1.41Å | |
| C21 | C22 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.52Å | Aromatic |
| C23 | C24 | sing | 1.50Å | 1.52Å | |
| C24 | C25 | sing | 1.48Å | 1.54Å | |
| C25 | O7 | doub | 1.22Å | 1.22Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C24 | H16 | sing | 1.10Å | 1.10Å | |
| O5 | H17 | sing | 0.97Å | 0.95Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| N4 | C26 | sing | 1.45Å | 1.46Å | |
| N4 | H21 | sing | 0.96Å | 1.00Å | |
| C26 | C27 | sing | 1.50Å | 1.52Å | |
| C26 | C28 | sing | 1.50Å | 1.50Å | |
| C26 | H22 | sing | 1.13Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.23Å | |
| C28 | C29 | doub | 1.38Å | 1.47Å | Aromatic |
| C28 | C33 | sing | 1.39Å | 1.50Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.49Å | Aromatic |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.38Å | 1.49Å | Aromatic |
| C31 | O9 | sing | 1.36Å | 1.37Å | |
| C31 | C32 | sing | 1.38Å | 1.48Å | Aromatic |
| O9 | H24 | sing | 0.97Å | 0.95Å | |
| C32 | C33 | doub | 1.39Å | 1.50Å | Aromatic |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| N5 | C34 | sing | 1.46Å | 1.45Å | |
| N5 | H26 | sing | 0.98Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.49Å | |
| C34 | C36 | sing | 1.51Å | 1.50Å | |
| C34 | H27 | sing | 1.08Å | 1.10Å | |
| C35 | O10 | doub | 1.21Å | 1.22Å | |
| C36 | C37 | doub | 1.38Å | 1.47Å | Aromatic |
| C36 | C41 | sing | 1.37Å | 1.50Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.49Å | Aromatic |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.39Å | 1.48Å | Aromatic |
| C38 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | O11 | sing | 1.36Å | 1.37Å | |
| C39 | C40 | sing | 1.38Å | 1.50Å | Aromatic |
| O11 | H30 | sing | 0.97Å | 0.95Å | |
| C40 | C41 | doub | 1.41Å | 1.45Å | Aromatic |
| C41 | H31 | sing | 1.08Å | 1.08Å | |
| N6 | C42 | sing | 1.43Å | 1.42Å | |
| O12 | C45 | sing | 1.38Å | 1.37Å | |
| C45 | C43 | sing | 1.39Å | 1.43Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.46Å | Aromatic |
| C43 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.45Å | Aromatic |
| C46 | C48 | doub | 1.39Å | 1.43Å | Aromatic |
| C46 | C49 | sing | 1.51Å | 1.50Å | |
| C48 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | CL2 | sing | 1.74Å | 1.75Å | |
| C50 | O13 | doub | 1.21Å | 1.22Å | |
| C50 | C42 | sing | 1.50Å | 1.51Å | |
| C42 | C49 | sing | 1.54Å | 1.52Å | |
| C49 | O14 | sing | 1.43Å | 1.39Å | |
| N6 | H32 | sing | 0.98Å | 1.00Å | |
| C42 | H33 | sing | 1.10Å | 1.10Å | |
| C43 | H34 | sing | 1.08Å | 1.08Å | |
| C47 | H35 | sing | 1.08Å | 1.08Å | |
| C48 | H36 | sing | 1.08Å | 1.08Å | |
| C49 | H37 | sing | 1.09Å | 1.10Å | |
| O14 | H38 | sing | 0.97Å | 0.95Å | |
| N7 | C57 | sing | 1.45Å | 1.44Å | |
| O15 | C51 | sing | 1.36Å | 1.36Å | |
| C51 | C52 | sing | 1.40Å | 1.41Å | Aromatic |
| C51 | C53 | doub | 1.38Å | 1.50Å | Aromatic |
| C52 | C56 | doub | 1.40Å | 1.54Å | Aromatic |
| C53 | C54 | sing | 1.39Å | 1.49Å | Aromatic |
| C54 | O16 | sing | 1.36Å | 1.38Å | |
| C54 | C55 | doub | 1.38Å | 1.46Å | Aromatic |
| C55 | C56 | sing | 1.39Å | 1.43Å | Aromatic |
| C56 | C57 | sing | 1.49Å | 1.52Å | |
| C57 | C58 | sing | 1.51Å | 1.49Å | |
| C58 | O17 | doub | 1.21Å | 1.26Å | |
| C58 | O18 | sing | 1.34Å | 1.27Å | |
| N7 | H39 | sing | 0.98Å | 1.00Å | |
| C57 | H40 | sing | 1.10Å | 1.10Å | |
| O15 | H41 | sing | 0.97Å | 0.95Å | |
| C53 | H42 | sing | 1.08Å | 1.08Å | |
| O16 | H43 | sing | 0.97Å | 0.95Å | |
| C55 | H44 | sing | 1.08Å | 1.08Å | |
| O18 | H45 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.34Å | 1.45Å | |
| C5 | O6 | sing | 1.36Å | 1.41Å | |
| O3 | C30 | sing | 1.38Å | 1.38Å | |
| C17 | N3 | sing | 1.35Å | 1.43Å | |
| C25 | N4 | sing | 1.33Å | 1.46Å | |
| C27 | N5 | sing | 1.36Å | 1.44Å | |
| C32 | O12 | sing | 1.38Å | 1.39Å | |
| C40 | C52 | sing | 1.47Å | 1.43Å | |
| C35 | N6 | sing | 1.28Å | 1.42Å | |
| C50 | N7 | sing | 1.34Å | 1.45Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 113.4° | 109.0° |
| N1 | C1 | C3 | 112.0° | 109.1° |
| N1 | C1 | H3 | 106.7° | 109.3° |
| H1 | N1 | H2 | 109.5° | 110.9° |
| C2 | C1 | C3 | 112.7° | 110.8° |
| C2 | C1 | H3 | 105.7° | 109.5° |
| C1 | C2 | O1 | 118.9° | 119.5° |
| C1 | C2 | N2 | 119.3° | 120.8° |
| C3 | C1 | H3 | 105.8° | 109.1° |
| C1 | C3 | C4 | 119.4° | 120.6° |
| C1 | C3 | C8 | 119.6° | 119.3° |
| O1 | C2 | N2 | 120.1° | 119.6° |
| C4 | C3 | C8 | 121.0° | 120.1° |
| C3 | C4 | C5 | 119.1° | 120.2° |
| C3 | C4 | H4 | 120.4° | 119.7° |
| C3 | C8 | C7 | 119.5° | 120.2° |
| C3 | C8 | H7 | 120.3° | 119.8° |
| C5 | C4 | H4 | 120.4° | 120.1° |
| C4 | C5 | C6 | 120.1° | 119.5° |
| C4 | C5 | O6 | 122.0° | 121.4° |
| C5 | C6 | O2 | 119.1° | 120.1° |
| C5 | C6 | C7 | 120.4° | 119.9° |
| C6 | C5 | O6 | 117.9° | 119.1° |
| O2 | C6 | C7 | 120.5° | 120.0° |
| C6 | O2 | H5 | 109.5° | 114.0° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C6 | C7 | H6 | 120.1° | 120.0° |
| C8 | C7 | H6 | 120.0° | 119.9° |
| C7 | C8 | H7 | 120.2° | 120.0° |
| O3 | C9 | C10 | 120.0° | 122.8° |
| O3 | C9 | C12 | 119.5° | 117.3° |
| C9 | O3 | C30 | 108.2° | 105.8° |
| C10 | C9 | C12 | 120.4° | 119.9° |
| C9 | C10 | C11 | 120.0° | 119.5° |
| C9 | C10 | CL1 | 121.5° | 120.3° |
| C9 | C12 | C13 | 119.5° | 120.0° |
| C9 | C12 | H8 | 120.2° | 120.3° |
| C11 | C10 | CL1 | 118.5° | 120.2° |
| C10 | C11 | C14 | 120.0° | 120.4° |
| C10 | C11 | H9 | 120.0° | 119.7° |
| C11 | C14 | C13 | 120.1° | 119.7° |
| C11 | C14 | C15 | 118.2° | 120.4° |
| C14 | C11 | H9 | 120.0° | 119.8° |
| C12 | C13 | C14 | 120.0° | 119.9° |
| C13 | C12 | H8 | 120.3° | 119.7° |
| C12 | C13 | H10 | 120.0° | 119.8° |
| C13 | C14 | C15 | 121.7° | 119.7° |
| C14 | C13 | H10 | 120.0° | 120.3° |
| C14 | C15 | C16 | 115.1° | 109.8° |
| C14 | C15 | H11 | 108.1° | 109.4° |
| C14 | C15 | H12 | 108.1° | 109.8° |
| C15 | C16 | C17 | 113.7° | 112.6° |
| C15 | C16 | N2 | 109.7° | 108.1° |
| C16 | C15 | H11 | 108.0° | 109.5° |
| C16 | C15 | H12 | 108.0° | 109.7° |
| C15 | C16 | H13 | 106.8° | 108.2° |
| C17 | C16 | N2 | 112.0° | 109.2° |
| C16 | C17 | O4 | 122.0° | 120.4° |
| C17 | C16 | H13 | 106.6° | 109.7° |
| C16 | C17 | N3 | 121.6° | 123.2° |
| N2 | C16 | H13 | 107.5° | 108.9° |
| C16 | N2 | H14 | 121.1° | 119.6° |
| C16 | N2 | C2 | 117.8° | 121.1° |
| O4 | C17 | N3 | 116.4° | 116.4° |
| H11 | C15 | H12 | 109.4° | 108.7° |
| H14 | N2 | C2 | 121.1° | 119.2° |
| N3 | C24 | C23 | 110.2° | 108.3° |
| N3 | C24 | C25 | 114.7° | 109.9° |
| C24 | N3 | H15 | 121.8° | 120.0° |
| N3 | C24 | H16 | 106.3° | 106.5° |
| C24 | N3 | C17 | 116.5° | 120.5° |
| O5 | C18 | C19 | 120.5° | 120.0° |
| O5 | C18 | C20 | 119.4° | 119.6° |
| C18 | O5 | H17 | 109.5° | 114.0° |
| C19 | C18 | C20 | 120.1° | 120.4° |
| C18 | C19 | C23 | 119.5° | 120.0° |
| C18 | C19 | H18 | 120.3° | 120.1° |
| C18 | C20 | C21 | 119.8° | 119.5° |
| C18 | C20 | H19 | 120.1° | 120.3° |
| C19 | C23 | C22 | 120.9° | 119.5° |
| C19 | C23 | C24 | 120.6° | 119.9° |
| C23 | C19 | H18 | 120.2° | 119.9° |
| C20 | C21 | O6 | 117.9° | 120.5° |
| C20 | C21 | C22 | 120.7° | 119.7° |
| C21 | C20 | H19 | 120.1° | 120.1° |
| O6 | C21 | C22 | 121.3° | 119.7° |
| C21 | O6 | C5 | 113.6° | 121.3° |
| C21 | C22 | C23 | 119.1° | 120.9° |
| C21 | C22 | H20 | 120.5° | 118.6° |
| C22 | C23 | C24 | 118.5° | 120.6° |
| C23 | C22 | H20 | 120.5° | 120.6° |
| C23 | C24 | C25 | 114.1° | 115.0° |
| C23 | C24 | H16 | 105.5° | 107.9° |
| C24 | C25 | O7 | 121.2° | 116.4° |
| C25 | C24 | H16 | 105.3° | 108.9° |
| C24 | C25 | N4 | 116.9° | 128.7° |
| O7 | C25 | N4 | 118.2° | 114.8° |
| H15 | N3 | C17 | 121.8° | 119.5° |
| C26 | N4 | H21 | 122.4° | 120.1° |
| N4 | C26 | C27 | 114.2° | 114.4° |
| N4 | C26 | C28 | 109.5° | 115.1° |
| N4 | C26 | H22 | 107.3° | 105.1° |
| C26 | N4 | C25 | 115.3° | 120.2° |
| H21 | N4 | C25 | 122.3° | 119.7° |
| C27 | C26 | C28 | 111.9° | 112.3° |
| C27 | C26 | H22 | 106.6° | 103.7° |
| C26 | C27 | O8 | 121.8° | 121.8° |
| C26 | C27 | N5 | 115.9° | 116.9° |
| C28 | C26 | H22 | 106.8° | 104.8° |
| C26 | C28 | C29 | 116.9° | 121.9° |
| C26 | C28 | C33 | 120.1° | 119.9° |
| O8 | C27 | N5 | 122.0° | 121.3° |
| C29 | C28 | C33 | 122.9° | 118.2° |
| C28 | C29 | C30 | 118.3° | 120.8° |
| C28 | C29 | H23 | 120.9° | 119.6° |
| C28 | C33 | C32 | 118.0° | 120.6° |
| C28 | C33 | H25 | 121.0° | 119.4° |
| C30 | C29 | H23 | 120.9° | 119.6° |
| C29 | C30 | C31 | 120.1° | 121.3° |
| C29 | C30 | O3 | 118.6° | 117.5° |
| C30 | C31 | O9 | 119.9° | 120.8° |
| C30 | C31 | C32 | 121.1° | 117.5° |
| C31 | C30 | O3 | 121.2° | 121.2° |
| O9 | C31 | C32 | 119.0° | 121.6° |
| C31 | O9 | H24 | 109.5° | 114.0° |
| C31 | C32 | C33 | 119.7° | 121.5° |
| C31 | C32 | O12 | 118.2° | 121.6° |
| C32 | C33 | H25 | 121.0° | 120.1° |
| C33 | C32 | O12 | 122.1° | 116.8° |
| C34 | N5 | H26 | 121.2° | 118.5° |
| N5 | C34 | C35 | 109.4° | 109.2° |
| N5 | C34 | C36 | 115.6° | 111.1° |
| N5 | C34 | H27 | 107.9° | 110.6° |
| C34 | N5 | C27 | 117.7° | 123.6° |
| H26 | N5 | C27 | 121.1° | 117.9° |
| C35 | C34 | C36 | 108.8° | 106.0° |
| C35 | C34 | H27 | 107.4° | 110.5° |
| C34 | C35 | O10 | 117.4° | 116.0° |
| C34 | C35 | N6 | 121.8° | 127.1° |
| C36 | C34 | H27 | 107.4° | 109.4° |
| C34 | C36 | C37 | 118.9° | 119.2° |
| C34 | C36 | C41 | 118.5° | 120.4° |
| O10 | C35 | N6 | 119.6° | 117.0° |
| C37 | C36 | C41 | 122.2° | 120.4° |
| C36 | C37 | C38 | 119.2° | 120.0° |
| C36 | C37 | H28 | 120.4° | 119.9° |
| C36 | C41 | C40 | 117.9° | 120.2° |
| C36 | C41 | H31 | 121.1° | 120.6° |
| C38 | C37 | H28 | 120.4° | 120.1° |
| C37 | C38 | C39 | 119.2° | 119.8° |
| C37 | C38 | H29 | 120.4° | 120.1° |
| C39 | C38 | H29 | 120.4° | 120.1° |
| C38 | C39 | O11 | 118.8° | 119.1° |
| C38 | C39 | C40 | 120.4° | 120.9° |
| O11 | C39 | C40 | 120.7° | 120.0° |
| C39 | O11 | H30 | 109.5° | 114.0° |
| C39 | C40 | C41 | 121.1° | 118.6° |
| C39 | C40 | C52 | 119.5° | 124.4° |
| C40 | C41 | H31 | 121.1° | 119.2° |
| C41 | C40 | C52 | 119.4° | 117.0° |
| N6 | C42 | C50 | 109.6° | 111.7° |
| N6 | C42 | C49 | 108.5° | 110.1° |
| C42 | N6 | H32 | 119.3° | 110.4° |
| N6 | C42 | H33 | 108.6° | 109.7° |
| C42 | N6 | C35 | 121.4° | 140.0° |
| O12 | C45 | C43 | 118.9° | 117.5° |
| O12 | C45 | C44 | 119.2° | 122.6° |
| C45 | O12 | C32 | 113.2° | 106.5° |
| C43 | C45 | C44 | 121.9° | 119.9° |
| C45 | C43 | C47 | 118.3° | 120.2° |
| C45 | C43 | H34 | 120.9° | 120.1° |
| C45 | C44 | C48 | 119.5° | 119.5° |
| C45 | C44 | CL2 | 121.4° | 120.3° |
| C43 | C47 | C46 | 119.9° | 119.8° |
| C47 | C43 | H34 | 120.8° | 119.7° |
| C43 | C47 | H35 | 120.0° | 119.9° |
| C47 | C46 | C48 | 121.4° | 120.0° |
| C47 | C46 | C49 | 120.1° | 120.6° |
| C46 | C47 | H35 | 120.0° | 120.3° |
| C48 | C46 | C49 | 117.9° | 119.4° |
| C46 | C48 | C44 | 118.8° | 120.5° |
| C46 | C48 | H36 | 120.6° | 119.7° |
| C46 | C49 | C42 | 102.6° | 105.5° |
| C46 | C49 | O14 | 113.1° | 110.6° |
| C46 | C49 | H37 | 108.4° | 110.0° |
| C48 | C44 | CL2 | 119.0° | 120.1° |
| C44 | C48 | H36 | 120.6° | 119.8° |
| O13 | C50 | C42 | 120.5° | 116.3° |
| O13 | C50 | N7 | 120.6° | 119.2° |
| C50 | C42 | C49 | 115.1° | 110.5° |
| C50 | C42 | H33 | 107.4° | 108.1° |
| C42 | C50 | N7 | 118.8° | 124.5° |
| C42 | C49 | O14 | 114.1° | 110.5° |
| C49 | C42 | H33 | 107.3° | 106.7° |
| C42 | C49 | H37 | 108.2° | 110.2° |
| O14 | C49 | H37 | 109.9° | 109.8° |
| C49 | O14 | H38 | 109.5° | 114.0° |
| H32 | N6 | C35 | 119.3° | 109.6° |
| N7 | C57 | C56 | 109.5° | 116.3° |
| N7 | C57 | C58 | 112.7° | 109.8° |
| C57 | N7 | H39 | 119.7° | 120.2° |
| N7 | C57 | H40 | 107.3° | 108.0° |
| C57 | N7 | C50 | 120.5° | 121.1° |
| O15 | C51 | C52 | 119.6° | 119.6° |
| O15 | C51 | C53 | 120.7° | 118.9° |
| C51 | O15 | H41 | 109.5° | 114.0° |
| C52 | C51 | C53 | 119.7° | 121.5° |
| C51 | C52 | C56 | 120.4° | 118.8° |
| C51 | C52 | C40 | 121.6° | 119.8° |
| C51 | C53 | C54 | 119.4° | 119.3° |
| C51 | C53 | H42 | 120.3° | 120.3° |
| C52 | C56 | C55 | 120.2° | 119.1° |
| C52 | C56 | C57 | 120.4° | 124.5° |
| C56 | C52 | C40 | 117.9° | 121.4° |
| C53 | C54 | O16 | 120.9° | 120.1° |
| C53 | C54 | C55 | 120.8° | 119.7° |
| C54 | C53 | H42 | 120.3° | 120.4° |
| O16 | C54 | C55 | 118.3° | 120.2° |
| C54 | O16 | H43 | 109.5° | 114.0° |
| C54 | C55 | C56 | 119.5° | 121.4° |
| C54 | C55 | H44 | 120.2° | 119.4° |
| C55 | C56 | C57 | 119.4° | 116.4° |
| C56 | C55 | H44 | 120.2° | 119.3° |
| C56 | C57 | C58 | 113.9° | 107.9° |
| C56 | C57 | H40 | 106.3° | 107.0° |
| C57 | C58 | O17 | 118.9° | 120.0° |
| C57 | C58 | O18 | 118.5° | 120.0° |
| C58 | C57 | H40 | 106.6° | 107.5° |
| O17 | C58 | O18 | 121.9° | 120.0° |
| C58 | O18 | H45 | 109.5° | 116.9° |
| H39 | N7 | C50 | 119.8° | 118.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | C3 | 128.5° | 120.1° |
| N1 | C1 | C2 | H3 | 116.5° | 119.5° |
| N1 | C1 | C3 | H3 | 115.8° | 119.3° |
| N1 | C1 | C2 | O1 | 34.0° | 0.2° |
| N1 | C1 | C3 | C4 | 94.6° | 109.3° |
| N1 | C1 | C3 | C8 | 83.9° | 70.3° |
| N1 | C1 | C2 | N2 | 161.4° | 179.9° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 51.2° | 178.8° |
| H1 | N1 | C1 | H3 | 64.1° | 59.6° |
| H2 | N1 | C1 | C2 | 60.0° | 176.1° |
| H2 | N1 | C1 | C3 | 68.9° | 55.0° |
| H2 | N1 | C1 | H3 | 175.9° | 64.2° |
| C2 | C1 | C3 | H3 | 115.0° | 120.7° |
| C1 | C2 | O1 | N2 | 164.5° | 180.0° |
| C2 | C1 | C3 | C4 | 34.6° | 10.7° |
| C2 | C1 | C3 | C8 | 146.9° | 169.7° |
| C1 | C2 | N2 | C16 | 177.7° | 178.4° |
| C1 | C2 | N2 | H14 | 2.3° | 2.0° |
| C3 | C1 | C2 | O1 | 94.5° | 120.2° |
| C1 | C3 | C4 | C8 | 178.5° | 179.6° |
| C1 | C3 | C4 | C5 | 179.2° | 179.5° |
| C1 | C3 | C4 | H4 | 0.8° | 1.0° |
| C1 | C3 | C8 | C7 | 178.4° | 179.9° |
| C1 | C3 | C8 | H7 | 1.6° | 0.0° |
| C3 | C1 | C2 | N2 | 70.2° | 59.8° |
| H3 | C1 | C2 | O1 | 150.5° | 119.4° |
| H3 | C1 | C3 | C4 | 149.6° | 131.4° |
| H3 | C1 | C3 | C8 | 31.9° | 49.0° |
| H3 | C1 | C2 | N2 | 44.9° | 60.6° |
| O1 | C2 | N2 | C16 | 13.3° | 1.6° |
| O1 | C2 | N2 | H14 | 166.7° | 178.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.5° |
| C3 | C4 | C5 | C6 | 1.1° | 1.2° |
| C4 | C3 | C8 | C7 | 0.0° | 0.2° |
| C4 | C3 | C8 | H7 | 180.0° | 179.6° |
| C3 | C4 | C5 | O6 | 178.8° | 177.9° |
| C8 | C3 | C4 | C5 | 0.8° | 0.9° |
| C8 | C3 | C4 | H4 | 179.3° | 178.6° |
| C3 | C8 | C7 | C6 | 0.5° | 0.1° |
| C3 | C8 | C7 | H7 | 180.0° | 179.9° |
| C3 | C8 | C7 | H6 | 179.5° | 179.7° |
| C4 | C5 | C6 | O6 | 177.8° | 179.1° |
| C4 | C5 | C6 | O2 | 179.7° | 179.3° |
| C4 | C5 | C6 | C7 | 0.7° | 0.8° |
| C4 | C5 | O6 | C21 | 61.2° | 38.5° |
| H4 | C4 | C5 | C6 | 178.9° | 178.3° |
| H4 | C4 | C5 | O6 | 1.2° | 2.6° |
| C5 | C6 | O2 | C7 | 179.6° | 179.9° |
| C5 | C6 | O2 | H5 | 180.0° | 90.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.2° |
| C5 | C6 | C7 | H6 | 179.9° | 180.0° |
| C6 | C5 | O6 | C21 | 121.0° | 142.4° |
| O2 | C6 | C7 | C8 | 179.5° | 180.0° |
| O2 | C6 | C7 | H6 | 0.5° | 0.2° |
| O2 | C6 | C5 | O6 | 1.9° | 1.5° |
| C7 | C6 | O2 | H5 | 0.4° | 90.1° |
| C6 | C7 | C8 | H6 | 180.0° | 179.8° |
| C6 | C7 | C8 | H7 | 179.5° | 180.0° |
| C7 | C6 | C5 | O6 | 178.5° | 178.3° |
| H6 | C7 | C8 | H7 | 0.5° | 0.2° |
| O3 | C9 | C10 | C12 | 178.0° | 178.4° |
| O3 | C9 | C10 | C11 | 177.5° | 175.5° |
| O3 | C9 | C10 | CL1 | 1.3° | 4.5° |
| O3 | C9 | C12 | C13 | 178.3° | 174.9° |
| O3 | C9 | C12 | H8 | 1.7° | 5.7° |
| C9 | O3 | C30 | C29 | 41.1° | 44.7° |
| C9 | O3 | C30 | C31 | 137.6° | 134.4° |
| C9 | C10 | C11 | CL1 | 178.9° | 179.9° |
| C9 | C10 | C11 | C14 | 0.8° | 0.0° |
| C10 | C9 | C12 | C13 | 0.3° | 6.6° |
| C10 | C9 | C12 | H8 | 179.7° | 172.8° |
| C9 | C10 | C11 | H9 | 179.2° | 179.5° |
| C10 | C9 | O3 | C30 | 104.2° | 144.3° |
| C12 | C9 | C10 | C11 | 0.5° | 6.0° |
| C12 | C9 | C10 | CL1 | 179.3° | 173.9° |
| C9 | C12 | C13 | H8 | 180.0° | 179.4° |
| C9 | C12 | C13 | C14 | 0.8° | 1.0° |
| C9 | C12 | C13 | H10 | 179.1° | 179.4° |
| C12 | C9 | O3 | C30 | 73.8° | 37.3° |
| C10 | C11 | C14 | H9 | 180.0° | 179.5° |
| C10 | C11 | C14 | C13 | 0.3° | 5.6° |
| C10 | C11 | C14 | C15 | 177.9° | 171.1° |
| CL1 | C10 | C11 | C14 | 179.7° | 180.0° |
| CL1 | C10 | C11 | H9 | 0.3° | 0.5° |
| C11 | C14 | C13 | C12 | 0.5° | 5.0° |
| C11 | C14 | C13 | C15 | 177.5° | 176.7° |
| C11 | C14 | C15 | C16 | 99.8° | 66.0° |
| C11 | C14 | C13 | H10 | 179.5° | 174.6° |
| C11 | C14 | C15 | H11 | 21.1° | 173.9° |
| C11 | C14 | C15 | H12 | 139.4° | 54.7° |
| C12 | C13 | C14 | H10 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 176.9° | 171.7° |
| C13 | C14 | C15 | C16 | 77.7° | 110.7° |
| C14 | C13 | C12 | H8 | 179.2° | 178.4° |
| C13 | C14 | C11 | H9 | 179.7° | 173.9° |
| C13 | C14 | C15 | H11 | 161.4° | 9.4° |
| C13 | C14 | C15 | H12 | 43.1° | 128.6° |
| C14 | C15 | C16 | H11 | 120.9° | 120.1° |
| C14 | C15 | C16 | H12 | 120.8° | 120.7° |
| C14 | C15 | C16 | C17 | 55.2° | 28.9° |
| C14 | C15 | C16 | N2 | 71.2° | 91.9° |
| C15 | C14 | C11 | H9 | 2.1° | 9.4° |
| C15 | C14 | C13 | H10 | 3.1° | 8.7° |
| C14 | C15 | H11 | H12 | 117.5° | 119.9° |
| C14 | C15 | C16 | H13 | 172.6° | 150.3° |
| C15 | C16 | C17 | N2 | 125.1° | 120.2° |
| C15 | C16 | C17 | H13 | 117.5° | 120.5° |
| C15 | C16 | N2 | H13 | 115.8° | 117.3° |
| C15 | C16 | C17 | O4 | 75.3° | 29.2° |
| C16 | C15 | H11 | H12 | 117.4° | 119.8° |
| C15 | C16 | N2 | H14 | 63.8° | 33.7° |
| C15 | C16 | N2 | C2 | 116.2° | 146.7° |
| C15 | C16 | C17 | N3 | 102.4° | 151.8° |
| C17 | C16 | N2 | H13 | 116.9° | 119.8° |
| C16 | C17 | O4 | N3 | 177.7° | 179.0° |
| C17 | C16 | C15 | H11 | 65.7° | 91.2° |
| C17 | C16 | C15 | H12 | 176.0° | 149.6° |
| C17 | C16 | N2 | H14 | 63.6° | 89.1° |
| C16 | C17 | N3 | C24 | 168.8° | 179.4° |
| C16 | C17 | N3 | H15 | 11.2° | 0.3° |
| C17 | C16 | N2 | C2 | 116.5° | 90.5° |
| N2 | C16 | C17 | O4 | 159.6° | 91.0° |
| N2 | C16 | C15 | H11 | 168.0° | 148.0° |
| N2 | C16 | C15 | H12 | 49.7° | 28.9° |
| C16 | N2 | H14 | C2 | 180.0° | 179.6° |
| N2 | C16 | C17 | N3 | 22.8° | 88.0° |
| O4 | C17 | C16 | H13 | 42.2° | 149.7° |
| O4 | C17 | N3 | C24 | 13.4° | 1.6° |
| O4 | C17 | N3 | H15 | 166.6° | 178.7° |
| H8 | C12 | C13 | H10 | 0.8° | 1.2° |
| H11 | C15 | C16 | H13 | 51.7° | 30.2° |
| H12 | C15 | C16 | H13 | 66.6° | 89.0° |
| H13 | C16 | N2 | H14 | 179.6° | 151.1° |
| H13 | C16 | N2 | C2 | 0.4° | 29.3° |
| H13 | C16 | C17 | N3 | 140.2° | 31.3° |
| N3 | C24 | C23 | C19 | 144.2° | 141.8° |
| N3 | C24 | C23 | C22 | 35.0° | 34.9° |
| N3 | C24 | C23 | C25 | 130.6° | 123.4° |
| N3 | C24 | C23 | H16 | 114.3° | 114.9° |
| N3 | C24 | C25 | H16 | 116.4° | 116.3° |
| N3 | C24 | C25 | O7 | 175.8° | 20.7° |
| C24 | N3 | H15 | C17 | 180.0° | 179.7° |
| N3 | C24 | C25 | N4 | 26.1° | 160.8° |
| O5 | C18 | C19 | C20 | 179.9° | 179.7° |
| O5 | C18 | C19 | C23 | 179.7° | 179.4° |
| O5 | C18 | C20 | C21 | 180.0° | 179.2° |
| O5 | C18 | C19 | H18 | 0.3° | 0.5° |
| O5 | C18 | C20 | H19 | 0.0° | 0.9° |
| C18 | C19 | C23 | H18 | 180.0° | 179.9° |
| C19 | C18 | C20 | C21 | 0.1° | 1.0° |
| C18 | C19 | C23 | C22 | 0.6° | 2.2° |
| C18 | C19 | C23 | C24 | 179.9° | 174.5° |
| C19 | C18 | O5 | H17 | 180.0° | 90.1° |
| C19 | C18 | C20 | H19 | 179.9° | 178.8° |
| C20 | C18 | C19 | C23 | 0.3° | 0.4° |
| C18 | C20 | C21 | H19 | 180.0° | 179.8° |
| C18 | C20 | C21 | O6 | 177.5° | 179.6° |
| C18 | C20 | C21 | C22 | 0.2° | 0.5° |
| C20 | C18 | O5 | H17 | 0.0° | 89.7° |
| C20 | C18 | C19 | H18 | 179.7° | 179.7° |
| C19 | C23 | C22 | C21 | 0.7° | 2.7° |
| C19 | C23 | C22 | C24 | 179.3° | 176.7° |
| C19 | C23 | C24 | C25 | 85.1° | 94.8° |
| C19 | C23 | C24 | H16 | 29.9° | 26.9° |
| C19 | C23 | C22 | H20 | 179.2° | 176.9° |
| C20 | C21 | O6 | C22 | 177.3° | 179.8° |
| C20 | C21 | C22 | C23 | 0.5° | 1.4° |
| C20 | C21 | C22 | H20 | 179.5° | 178.3° |
| C20 | C21 | O6 | C5 | 170.3° | 109.2° |
| O6 | C21 | C22 | C23 | 177.7° | 178.5° |
| O6 | C21 | C20 | H19 | 2.5° | 0.5° |
| O6 | C21 | C22 | H20 | 2.2° | 1.9° |
| C21 | C22 | C23 | H20 | 180.0° | 179.6° |
| C21 | C22 | C23 | C24 | 180.0° | 174.0° |
| C22 | C21 | C20 | H19 | 179.8° | 179.3° |
| C22 | C21 | O6 | C5 | 7.0° | 70.6° |
| C22 | C23 | C24 | C25 | 95.6° | 88.4° |
| C22 | C23 | C24 | H16 | 149.3° | 149.9° |
| C22 | C23 | C19 | H18 | 179.3° | 177.9° |
| C23 | C24 | C25 | H16 | 115.2° | 121.2° |
| C23 | C24 | C25 | O7 | 55.8° | 143.3° |
| C23 | C24 | N3 | H15 | 90.5° | 98.6° |
| C24 | C23 | C19 | H18 | 0.1° | 5.4° |
| C24 | C23 | C22 | H20 | 0.0° | 6.4° |
| C23 | C24 | N3 | C17 | 89.6° | 81.6° |
| C23 | C24 | C25 | N4 | 102.3° | 38.3° |
| C24 | C25 | O7 | N4 | 157.8° | 178.6° |
| C25 | C24 | N3 | H15 | 39.9° | 134.9° |
| C24 | C25 | N4 | C26 | 175.6° | 171.0° |
| C24 | C25 | N4 | H21 | 4.4° | 9.1° |
| C25 | C24 | N3 | C17 | 140.1° | 44.8° |
| O7 | C25 | C24 | H16 | 59.4° | 95.5° |
| O7 | C25 | N4 | C26 | 25.7° | 7.5° |
| O7 | C25 | N4 | H21 | 154.4° | 172.5° |
| H15 | N3 | C24 | H16 | 155.7° | 17.2° |
| H16 | C24 | N3 | C17 | 24.3° | 162.5° |
| H16 | C24 | C25 | N4 | 142.5° | 82.9° |
| C26 | N4 | H21 | C25 | 180.0° | 180.0° |
| N4 | C26 | C27 | C28 | 125.2° | 133.7° |
| N4 | C26 | C27 | H22 | 118.3° | 113.8° |
| N4 | C26 | C28 | H22 | 115.9° | 114.9° |
| N4 | C26 | C27 | O8 | 41.6° | 66.7° |
| N4 | C26 | C28 | C29 | 46.2° | 22.0° |
| N4 | C26 | C28 | C33 | 128.9° | 158.9° |
| N4 | C26 | C27 | N5 | 144.9° | 113.4° |
| H21 | N4 | C26 | C27 | 83.2° | 50.4° |
| H21 | N4 | C26 | C28 | 43.2° | 82.0° |
| H21 | N4 | C26 | H22 | 158.8° | 163.4° |
| C27 | C26 | C28 | H22 | 116.4° | 111.8° |
| C26 | C27 | O8 | N5 | 173.1° | 179.9° |
| C27 | C26 | C28 | C29 | 174.0° | 155.3° |
| C27 | C26 | C28 | C33 | 1.1° | 25.6° |
| C26 | C27 | N5 | C34 | 158.2° | 165.8° |
| C26 | C27 | N5 | H26 | 21.8° | 14.4° |
| C27 | C26 | N4 | C25 | 96.8° | 129.7° |
| C28 | C26 | C27 | O8 | 83.6° | 67.0° |
| C26 | C28 | C29 | C33 | 175.0° | 179.1° |
| C26 | C28 | C29 | C30 | 175.6° | 175.8° |
| C26 | C28 | C29 | H23 | 4.4° | 4.8° |
| C26 | C28 | C33 | C32 | 175.8° | 175.8° |
| C26 | C28 | C33 | H25 | 4.2° | 4.3° |
| C28 | C26 | N4 | C25 | 136.8° | 98.0° |
| C28 | C26 | C27 | N5 | 90.0° | 113.0° |
| H22 | C26 | C27 | O8 | 159.9° | 179.5° |
| H22 | C26 | C28 | C29 | 69.7° | 92.8° |
| H22 | C26 | C28 | C33 | 115.2° | 86.3° |
| H22 | C26 | N4 | C25 | 21.2° | 16.7° |
| H22 | C26 | C27 | N5 | 26.5° | 0.5° |
| O8 | C27 | N5 | C34 | 15.3° | 14.2° |
| O8 | C27 | N5 | H26 | 164.7° | 165.7° |
| C28 | C29 | C30 | H23 | 180.0° | 179.4° |
| C28 | C29 | C30 | C31 | 0.2° | 2.7° |
| C29 | C28 | C33 | C32 | 1.0° | 3.3° |
| C29 | C28 | C33 | H25 | 179.0° | 176.5° |
| C28 | C29 | C30 | O3 | 178.9° | 176.5° |
| C33 | C28 | C29 | C30 | 0.6° | 3.3° |
| C33 | C28 | C29 | H23 | 179.4° | 176.1° |
| C28 | C33 | C32 | C31 | 0.8° | 2.6° |
| C28 | C33 | C32 | H25 | 180.0° | 179.8° |
| C28 | C33 | C32 | O12 | 178.8° | 174.1° |
| C29 | C30 | C31 | O3 | 178.7° | 179.1° |
| C29 | C30 | C31 | O9 | 178.0° | 179.1° |
| C29 | C30 | C31 | C32 | 0.0° | 1.8° |
| H23 | C29 | C30 | C31 | 179.8° | 176.8° |
| H23 | C29 | C30 | O3 | 1.1° | 4.1° |
| C30 | C31 | O9 | C32 | 178.1° | 179.0° |
| C30 | C31 | O9 | H24 | 180.0° | 90.1° |
| C30 | C31 | C32 | C33 | 0.3° | 1.8° |
| C30 | C31 | C32 | O12 | 178.4° | 174.8° |
| O9 | C31 | C32 | C33 | 177.7° | 179.2° |
| O9 | C31 | C30 | O3 | 0.7° | 1.7° |
| O9 | C31 | C32 | O12 | 0.4° | 4.3° |
| C32 | C31 | O9 | H24 | 1.9° | 89.0° |
| C31 | C32 | C33 | O12 | 178.0° | 176.7° |
| C31 | C32 | C33 | H25 | 179.2° | 177.2° |
| C31 | C32 | O12 | C45 | 168.4° | 135.4° |
| C32 | C31 | C30 | O3 | 178.7° | 177.3° |
| C33 | C32 | O12 | C45 | 13.6° | 41.3° |
| H25 | C33 | C32 | O12 | 1.2° | 6.1° |
| C34 | N5 | H26 | C27 | 180.0° | 179.8° |
| N5 | C34 | C35 | C36 | 127.1° | 119.7° |
| N5 | C34 | C35 | H27 | 116.9° | 121.9° |
| N5 | C34 | C36 | H27 | 120.5° | 122.4° |
| N5 | C34 | C35 | O10 | 29.1° | 123.5° |
| N5 | C34 | C36 | C37 | 62.6° | 145.2° |
| N5 | C34 | C36 | C41 | 124.2° | 35.0° |
| N5 | C34 | C35 | N6 | 163.7° | 55.9° |
| H26 | N5 | C34 | C35 | 42.3° | 72.6° |
| H26 | N5 | C34 | C36 | 80.9° | 43.9° |
| H26 | N5 | C34 | H27 | 158.9° | 165.6° |
| C35 | C34 | C36 | H27 | 116.0° | 119.2° |
| C34 | C35 | O10 | N6 | 167.4° | 179.4° |
| C35 | C34 | C36 | C37 | 60.9° | 96.4° |
| C35 | C34 | C36 | C41 | 112.4° | 83.5° |
| C34 | C35 | N6 | C42 | 8.8° | 136.3° |
| C34 | C35 | N6 | H32 | 171.2° | 42.4° |
| C35 | C34 | N5 | C27 | 137.7° | 107.6° |
| C36 | C34 | C35 | O10 | 98.0° | 116.8° |
| C34 | C36 | C37 | C41 | 173.0° | 179.9° |
| C34 | C36 | C37 | C38 | 174.1° | 179.0° |
| C34 | C36 | C37 | H28 | 5.9° | 1.0° |
| C34 | C36 | C41 | C40 | 174.4° | 177.7° |
| C34 | C36 | C41 | H31 | 5.6° | 4.1° |
| C36 | C34 | N5 | C27 | 99.1° | 135.9° |
| C36 | C34 | C35 | N6 | 69.2° | 63.8° |
| H27 | C34 | C35 | O10 | 146.1° | 1.6° |
| H27 | C34 | C36 | C37 | 176.9° | 22.8° |
| H27 | C34 | C36 | C41 | 3.7° | 157.3° |
| H27 | C34 | N5 | C27 | 21.1° | 14.2° |
| H27 | C34 | C35 | N6 | 46.8° | 177.8° |
| O10 | C35 | N6 | C42 | 175.7° | 44.3° |
| O10 | C35 | N6 | H32 | 4.3° | 137.0° |
| C36 | C37 | C38 | H28 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.1° | 0.4° |
| C36 | C37 | C38 | H29 | 179.9° | 179.9° |
| C37 | C36 | C41 | C40 | 1.4° | 2.1° |
| C37 | C36 | C41 | H31 | 178.6° | 176.1° |
| C41 | C36 | C37 | C38 | 1.1° | 0.9° |
| C41 | C36 | C37 | H28 | 178.9° | 179.1° |
| C36 | C41 | C40 | C39 | 0.6° | 2.1° |
| C36 | C41 | C40 | H31 | 180.0° | 178.2° |
| C36 | C41 | C40 | C52 | 178.0° | 178.3° |
| C37 | C38 | C39 | H29 | 180.0° | 179.6° |
| C37 | C38 | C39 | O11 | 178.1° | 179.6° |
| C37 | C38 | C39 | C40 | 0.7° | 0.4° |
| H28 | C37 | C38 | C39 | 180.0° | 179.6° |
| H28 | C37 | C38 | H29 | 0.1° | 0.1° |
| C38 | C39 | O11 | C40 | 177.3° | 179.9° |
| C38 | C39 | O11 | H30 | 180.0° | 90.0° |
| C38 | C39 | C40 | C41 | 0.4° | 0.8° |
| C38 | C39 | C40 | C52 | 177.0° | 179.6° |
| H29 | C38 | C39 | O11 | 2.0° | 0.0° |
| H29 | C38 | C39 | C40 | 179.3° | 179.9° |
| O11 | C39 | C40 | C41 | 177.7° | 179.1° |
| O11 | C39 | C40 | C52 | 0.3° | 0.5° |
| C40 | C39 | O11 | H30 | 2.7° | 90.1° |
| C39 | C40 | C41 | C52 | 177.5° | 179.6° |
| C39 | C40 | C41 | H31 | 179.4° | 176.1° |
| C39 | C40 | C52 | C51 | 90.0° | 70.3° |
| C39 | C40 | C52 | C56 | 93.6° | 108.3° |
| C41 | C40 | C52 | C51 | 92.5° | 109.3° |
| C41 | C40 | C52 | C56 | 83.9° | 72.0° |
| H31 | C41 | C40 | C52 | 2.0° | 3.5° |
| N6 | C42 | C49 | C46 | 64.9° | 20.9° |
| N6 | C42 | C50 | O13 | 26.0° | 174.0° |
| N6 | C42 | C50 | C49 | 122.7° | 122.9° |
| N6 | C42 | C50 | H33 | 117.8° | 120.8° |
| N6 | C42 | C49 | H33 | 117.2° | 119.0° |
| N6 | C42 | C49 | O14 | 57.9° | 98.7° |
| C42 | N6 | H32 | C35 | 180.0° | 179.1° |
| N6 | C42 | C49 | H37 | 179.4° | 139.7° |
| N6 | C42 | C50 | N7 | 158.6° | 6.1° |
| O12 | C45 | C43 | C44 | 179.2° | 180.0° |
| O12 | C45 | C43 | C47 | 178.1° | 176.8° |
| O12 | C45 | C44 | C48 | 177.9° | 177.1° |
| O12 | C45 | C44 | CL2 | 2.5° | 2.1° |
| O12 | C45 | C43 | H34 | 1.9° | 3.0° |
| C45 | C43 | C47 | H34 | 180.0° | 179.8° |
| C45 | C43 | C47 | C46 | 1.7° | 1.1° |
| C43 | C45 | C44 | C48 | 1.3° | 2.9° |
| C43 | C45 | C44 | CL2 | 178.3° | 177.9° |
| C45 | C43 | C47 | H35 | 178.3° | 178.2° |
| C43 | C45 | O12 | C32 | 99.9° | 42.2° |
| C44 | C45 | C43 | C47 | 1.1° | 3.2° |
| C45 | C44 | C48 | C46 | 2.1° | 0.5° |
| C45 | C44 | C48 | CL2 | 179.6° | 179.3° |
| C44 | C45 | C43 | H34 | 178.9° | 177.0° |
| C45 | C44 | C48 | H36 | 178.0° | 179.3° |
| C44 | C45 | O12 | C32 | 79.3° | 137.8° |
| C43 | C47 | C46 | H35 | 180.0° | 179.3° |
| C43 | C47 | C46 | C48 | 2.6° | 1.2° |
| C43 | C47 | C46 | C49 | 173.4° | 178.7° |
| C47 | C46 | C48 | C49 | 170.9° | 179.9° |
| C47 | C46 | C48 | C44 | 2.8° | 1.6° |
| C47 | C46 | C49 | C42 | 97.8° | 108.9° |
| C47 | C46 | C49 | O14 | 25.6° | 10.7° |
| C46 | C47 | C43 | H34 | 178.3° | 179.1° |
| C47 | C46 | C48 | H36 | 177.2° | 178.7° |
| C47 | C46 | C49 | H37 | 147.8° | 132.2° |
| C46 | C48 | C44 | H36 | 180.0° | 179.8° |
| C46 | C48 | C44 | CL2 | 177.5° | 179.8° |
| C48 | C46 | C49 | C42 | 73.2° | 71.1° |
| C48 | C46 | C49 | O14 | 163.3° | 169.4° |
| C48 | C46 | C47 | H35 | 177.4° | 179.4° |
| C48 | C46 | C49 | H37 | 41.1° | 47.8° |
| C49 | C46 | C48 | C44 | 173.7° | 178.4° |
| C46 | C49 | C42 | C50 | 171.8° | 144.7° |
| C46 | C49 | C42 | O14 | 122.8° | 119.6° |
| C46 | C49 | C42 | H37 | 114.5° | 118.7° |
| C46 | C49 | O14 | H37 | 121.4° | 121.6° |
| C46 | C49 | C42 | H33 | 52.3° | 98.1° |
| C49 | C46 | C47 | H35 | 6.6° | 0.7° |
| C49 | C46 | C48 | H36 | 6.3° | 1.4° |
| C46 | C49 | O14 | H38 | 180.0° | 63.5° |
| CL2 | C44 | C48 | H36 | 2.5° | 0.0° |
| O13 | C50 | C42 | N7 | 175.5° | 179.9° |
| O13 | C50 | C42 | C49 | 96.8° | 63.1° |
| O13 | C50 | C42 | H33 | 143.8° | 53.2° |
| O13 | C50 | N7 | C57 | 17.3° | 16.6° |
| O13 | C50 | N7 | H39 | 162.7° | 162.1° |
| C50 | C42 | C49 | H33 | 119.5° | 117.2° |
| C50 | C42 | C49 | O14 | 65.4° | 25.1° |
| C50 | C42 | N6 | H32 | 75.7° | 64.8° |
| C50 | C42 | C49 | H37 | 57.3° | 96.5° |
| C42 | C50 | N7 | C57 | 167.2° | 163.5° |
| C42 | C50 | N7 | H39 | 12.8° | 17.8° |
| C50 | C42 | N6 | C35 | 104.3° | 113.9° |
| C42 | C49 | O14 | H37 | 121.8° | 121.8° |
| C49 | C42 | N6 | H32 | 50.9° | 58.3° |
| C42 | C49 | O14 | H38 | 63.2° | 180.0° |
| C49 | C42 | N6 | C35 | 129.2° | 123.0° |
| C49 | C42 | C50 | N7 | 78.7° | 116.8° |
| O14 | C49 | C42 | H33 | 175.1° | 142.3° |
| H32 | N6 | C42 | H33 | 167.2° | 175.4° |
| H33 | C42 | C49 | H37 | 62.1° | 20.7° |
| H33 | C42 | N6 | C35 | 12.8° | 5.9° |
| H33 | C42 | C50 | N7 | 40.7° | 126.9° |
| H34 | C43 | C47 | H35 | 1.7° | 1.6° |
| H37 | C49 | O14 | H38 | 58.6° | 58.2° |
| N7 | C57 | C56 | C52 | 66.3° | 57.9° |
| N7 | C57 | C56 | C55 | 111.0° | 123.4° |
| N7 | C57 | C56 | C58 | 127.3° | 123.8° |
| N7 | C57 | C56 | H40 | 115.6° | 120.8° |
| N7 | C57 | C58 | H40 | 117.5° | 117.2° |
| N7 | C57 | C58 | O17 | 34.8° | 20.0° |
| N7 | C57 | C58 | O18 | 154.8° | 160.0° |
| C57 | N7 | H39 | C50 | 180.0° | 178.7° |
| O15 | C51 | C52 | C53 | 180.0° | 179.0° |
| O15 | C51 | C52 | C56 | 177.3° | 177.7° |
| O15 | C51 | C53 | C54 | 178.6° | 179.5° |
| O15 | C51 | C53 | H42 | 1.4° | 0.4° |
| O15 | C51 | C52 | C40 | 1.0° | 0.9° |
| C51 | C52 | C56 | C40 | 176.5° | 178.6° |
| C52 | C51 | C53 | C54 | 1.4° | 1.5° |
| C51 | C52 | C56 | C55 | 2.5° | 3.1° |
| C51 | C52 | C56 | C57 | 174.7° | 175.6° |
| C52 | C51 | O15 | H41 | 180.0° | 90.0° |
| C52 | C51 | C53 | H42 | 178.6° | 178.6° |
| C53 | C51 | C52 | C56 | 2.7° | 3.3° |
| C51 | C53 | C54 | H42 | 180.0° | 179.9° |
| C51 | C53 | C54 | O16 | 178.4° | 179.4° |
| C51 | C53 | C54 | C55 | 0.2° | 0.4° |
| C53 | C51 | O15 | H41 | 0.0° | 91.0° |
| C53 | C51 | C52 | C40 | 179.1° | 178.1° |
| C52 | C56 | C55 | C54 | 0.8° | 1.2° |
| C52 | C56 | C55 | C57 | 177.2° | 178.8° |
| C52 | C56 | C57 | C58 | 166.5° | 66.0° |
| C52 | C56 | C57 | H40 | 49.3° | 178.6° |
| C52 | C56 | C55 | H44 | 179.1° | 178.8° |
| C53 | C54 | O16 | C55 | 178.7° | 179.8° |
| C53 | C54 | C55 | C56 | 0.5° | 0.5° |
| C53 | C54 | O16 | H43 | 180.0° | 90.0° |
| C53 | C54 | C55 | H44 | 179.6° | 179.5° |
| O16 | C54 | C55 | C56 | 178.2° | 179.3° |
| O16 | C54 | C53 | H42 | 1.6° | 0.7° |
| O16 | C54 | C55 | H44 | 1.8° | 0.7° |
| C54 | C55 | C56 | H44 | 180.0° | 180.0° |
| C54 | C55 | C56 | C57 | 176.4° | 177.6° |
| C55 | C54 | C53 | H42 | 179.8° | 179.5° |
| C55 | C54 | O16 | H43 | 1.3° | 90.2° |
| C55 | C56 | C57 | C58 | 16.3° | 112.8° |
| C55 | C56 | C57 | H40 | 133.4° | 2.6° |
| C55 | C56 | C52 | C40 | 179.0° | 178.3° |
| C56 | C57 | C58 | H40 | 116.9° | 115.1° |
| C56 | C57 | C58 | O17 | 90.7° | 107.7° |
| C56 | C57 | C58 | O18 | 79.7° | 72.3° |
| C56 | C57 | N7 | H39 | 44.4° | 3.8° |
| C57 | C56 | C55 | H44 | 3.6° | 2.4° |
| C57 | C56 | C52 | C40 | 1.8° | 3.0° |
| C56 | C57 | N7 | C50 | 135.6° | 177.5° |
| C57 | C58 | O17 | O18 | 170.1° | 180.0° |
| C58 | C57 | N7 | H39 | 83.5° | 126.7° |
| C57 | C58 | O18 | H45 | 170.1° | 180.0° |
| C58 | C57 | N7 | C50 | 96.5° | 54.7° |
| O17 | C58 | C57 | H40 | 152.3° | 137.2° |
| O17 | C58 | O18 | H45 | 0.0° | 0.0° |
| O18 | C58 | C57 | H40 | 37.3° | 42.8° |
| H39 | N7 | C57 | H40 | 159.4° | 116.4° |
| H40 | C57 | N7 | C50 | 20.6° | 62.2° |
