PRD_000206
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.53Å | |
| N1 | C2 | sing | 1.47Å | 1.44Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.53Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.48Å | |
| C5 | C7 | sing | 1.53Å | 1.45Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.48Å | |
| C8 | C10 | sing | 1.53Å | 1.63Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| CL1 | C14 | sing | 1.74Å | 1.71Å | |
| C10 | O3 | sing | 1.43Å | 1.39Å | |
| C10 | C11 | sing | 1.50Å | 1.46Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | O4 | sing | 1.38Å | 1.39Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| N3 | C17 | sing | 1.45Å | 1.48Å | |
| N3 | H22 | sing | 0.98Å | 1.00Å | |
| C17 | C18 | sing | 1.50Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H23 | sing | 1.10Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.24Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | O6 | doub | 1.21Å | 1.25Å | |
| C20 | N4 | sing | 1.35Å | 1.32Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| N5 | C21 | sing | 1.46Å | 1.44Å | |
| N5 | H28 | sing | 0.98Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.55Å | |
| C21 | C23 | sing | 1.51Å | 1.58Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | doub | 1.21Å | 1.21Å | |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | O8 | sing | 1.36Å | 1.39Å | |
| C26 | C27 | sing | 1.39Å | 1.42Å | Aromatic |
| O8 | H31 | sing | 0.97Å | 0.95Å | |
| C27 | C28 | doub | 1.39Å | 1.37Å | Aromatic |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| N6 | C29 | sing | 1.46Å | 1.45Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.52Å | 1.53Å | |
| C29 | C31 | sing | 1.51Å | 1.52Å | |
| C29 | H34 | sing | 1.08Å | 1.10Å | |
| C30 | O9 | doub | 1.21Å | 1.21Å | |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.36Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | H35 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | doub | 1.41Å | 1.41Å | Aromatic |
| C34 | O10 | sing | 1.36Å | 1.36Å | |
| C34 | C35 | sing | 1.39Å | 1.37Å | Aromatic |
| O10 | H36 | sing | 0.97Å | 0.95Å | |
| C35 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| N7 | C37 | sing | 1.45Å | 1.44Å | |
| O11 | C40 | sing | 1.37Å | 1.37Å | |
| C40 | C38 | sing | 1.39Å | 1.33Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.39Å | 1.35Å | Aromatic |
| C41 | C43 | doub | 1.38Å | 1.37Å | Aromatic |
| C41 | C44 | sing | 1.50Å | 1.56Å | |
| C43 | C39 | sing | 1.38Å | 1.37Å | Aromatic |
| C39 | CL2 | sing | 1.74Å | 1.73Å | |
| C45 | O12 | doub | 1.21Å | 1.22Å | |
| C45 | C37 | sing | 1.51Å | 1.51Å | |
| C37 | C44 | sing | 1.53Å | 1.51Å | |
| C44 | O13 | sing | 1.43Å | 1.42Å | |
| N7 | H39 | sing | 0.99Å | 1.00Å | |
| C37 | H40 | sing | 1.10Å | 1.10Å | |
| C38 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.10Å | 1.10Å | |
| O13 | H45 | sing | 0.97Å | 0.95Å | |
| N8 | C52 | sing | 1.44Å | 1.45Å | |
| O14 | C46 | sing | 1.36Å | 1.35Å | |
| C46 | C47 | sing | 1.41Å | 1.35Å | Aromatic |
| C46 | C48 | doub | 1.38Å | 1.42Å | Aromatic |
| C47 | C51 | doub | 1.40Å | 1.38Å | Aromatic |
| C48 | C49 | sing | 1.38Å | 1.34Å | Aromatic |
| C49 | O15 | sing | 1.36Å | 1.37Å | |
| C49 | C50 | doub | 1.39Å | 1.36Å | Aromatic |
| C50 | C51 | sing | 1.39Å | 1.41Å | Aromatic |
| C51 | C52 | sing | 1.50Å | 1.52Å | |
| C52 | C53 | sing | 1.51Å | 1.52Å | |
| C53 | O16 | doub | 1.21Å | 1.26Å | |
| C53 | O17 | sing | 1.34Å | 1.29Å | |
| N8 | H46 | sing | 0.98Å | 1.00Å | |
| C52 | H47 | sing | 1.11Å | 1.10Å | |
| O14 | H48 | sing | 0.97Å | 0.95Å | |
| C48 | H49 | sing | 1.08Å | 1.08Å | |
| O15 | H50 | sing | 0.97Å | 0.95Å | |
| C50 | H51 | sing | 1.08Å | 1.08Å | |
| O17 | H52 | sing | 0.97Å | 0.95Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| C9 | N3 | sing | 1.34Å | 1.39Å | |
| O4 | C27 | sing | 1.37Å | 1.42Å | |
| C18 | N5 | sing | 1.35Å | 1.36Å | |
| C22 | N6 | sing | 1.34Å | 1.33Å | |
| C25 | O11 | sing | 1.37Å | 1.41Å | |
| C30 | N7 | sing | 1.35Å | 1.35Å | |
| C33 | C47 | sing | 1.48Å | 1.52Å | |
| C45 | N8 | sing | 1.33Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 110.0° | 111.0° |
| C1 | N1 | H1 | 109.3° | 111.0° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C1 | H4 | 109.4° | 109.5° |
| N1 | C2 | C3 | 108.3° | 109.5° |
| N1 | C2 | C4 | 110.3° | 109.5° |
| C2 | N1 | H1 | 109.3° | 111.0° |
| N1 | C2 | H5 | 109.1° | 109.5° |
| C3 | C2 | C4 | 112.5° | 109.5° |
| C2 | C3 | O1 | 119.5° | 120.0° |
| C3 | C2 | H5 | 108.5° | 109.5° |
| C2 | C3 | N2 | 118.0° | 120.0° |
| C2 | C4 | C5 | 124.2° | 109.5° |
| C4 | C2 | H5 | 108.0° | 109.5° |
| C2 | C4 | H6 | 105.7° | 109.5° |
| C2 | C4 | H7 | 105.7° | 109.5° |
| O1 | C3 | N2 | 122.4° | 120.0° |
| C4 | C5 | C6 | 114.5° | 109.5° |
| C4 | C5 | C7 | 112.6° | 109.5° |
| C5 | C4 | H6 | 105.7° | 109.5° |
| C5 | C4 | H7 | 105.7° | 109.5° |
| C4 | C5 | H8 | 105.1° | 109.5° |
| C6 | C5 | C7 | 113.7° | 109.4° |
| C6 | C5 | H8 | 104.8° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.4° | 109.5° |
| C5 | C6 | H11 | 109.4° | 109.5° |
| C7 | C5 | H8 | 105.0° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.4° |
| C5 | C7 | H13 | 109.5° | 109.4° |
| C5 | C7 | H14 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H4 | 109.5° | 109.4° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.4° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.4° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| H12 | C7 | H14 | 109.5° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| N2 | C8 | C9 | 116.8° | 109.2° |
| N2 | C8 | C10 | 110.4° | 109.4° |
| C8 | N2 | H15 | 120.3° | 120.0° |
| N2 | C8 | H16 | 107.0° | 109.1° |
| C8 | N2 | C3 | 119.4° | 120.0° |
| C9 | C8 | C10 | 110.0° | 110.9° |
| C8 | C9 | O2 | 121.5° | 118.7° |
| C9 | C8 | H16 | 106.7° | 109.0° |
| C8 | C9 | N3 | 117.6° | 120.7° |
| C8 | C10 | O3 | 106.1° | 109.5° |
| C8 | C10 | C11 | 109.3° | 109.6° |
| C10 | C8 | H16 | 105.2° | 109.3° |
| C8 | C10 | H17 | 107.0° | 109.1° |
| O2 | C9 | N3 | 120.9° | 120.6° |
| CL1 | C14 | C12 | 121.9° | 119.1° |
| CL1 | C14 | C16 | 118.3° | 121.2° |
| O3 | C10 | C11 | 114.8° | 110.1° |
| O3 | C10 | H17 | 110.2° | 109.2° |
| C10 | O3 | H18 | 109.5° | 114.0° |
| C10 | C11 | C12 | 119.5° | 119.6° |
| C10 | C11 | C13 | 122.8° | 120.6° |
| C11 | C10 | H17 | 109.2° | 109.3° |
| C12 | C11 | C13 | 117.5° | 119.9° |
| C11 | C12 | C14 | 120.5° | 120.2° |
| C11 | C12 | H19 | 119.7° | 120.5° |
| C11 | C13 | C15 | 123.0° | 120.1° |
| C11 | C13 | H20 | 118.5° | 119.9° |
| C12 | C14 | C16 | 119.7° | 119.7° |
| C14 | C12 | H19 | 119.8° | 119.3° |
| C13 | C15 | C16 | 116.9° | 119.9° |
| C15 | C13 | H20 | 118.5° | 120.0° |
| C13 | C15 | H21 | 121.6° | 120.0° |
| C14 | C16 | C15 | 122.3° | 120.1° |
| C14 | C16 | O4 | 119.8° | 118.2° |
| C15 | C16 | O4 | 117.9° | 121.6° |
| C16 | C15 | H21 | 121.5° | 120.1° |
| C16 | O4 | C27 | 112.3° | 108.5° |
| H15 | N2 | C3 | 120.3° | 120.1° |
| C17 | N3 | H22 | 119.3° | 118.2° |
| N3 | C17 | C18 | 113.0° | 113.8° |
| N3 | C17 | C19 | 108.1° | 110.2° |
| N3 | C17 | H23 | 109.3° | 108.0° |
| C17 | N3 | C9 | 121.4° | 124.4° |
| H22 | N3 | C9 | 119.3° | 117.3° |
| C18 | C17 | C19 | 109.3° | 109.3° |
| C18 | C17 | H23 | 108.5° | 107.9° |
| C17 | C18 | O5 | 121.3° | 120.0° |
| C17 | C18 | N5 | 115.5° | 119.3° |
| C19 | C17 | H23 | 108.6° | 107.5° |
| C17 | C19 | C20 | 112.5° | 109.4° |
| C17 | C19 | H24 | 108.7° | 109.5° |
| C17 | C19 | H25 | 108.7° | 109.5° |
| O5 | C18 | N5 | 123.0° | 120.7° |
| C20 | C19 | H24 | 108.7° | 109.5° |
| C20 | C19 | H25 | 108.7° | 109.5° |
| C19 | C20 | O6 | 121.7° | 120.0° |
| C19 | C20 | N4 | 114.9° | 120.0° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| O6 | C20 | N4 | 123.4° | 120.0° |
| C20 | N4 | H26 | 120.0° | 120.0° |
| C20 | N4 | H27 | 120.0° | 120.0° |
| H26 | N4 | H27 | 120.0° | 120.0° |
| C21 | N5 | H28 | 118.8° | 119.3° |
| N5 | C21 | C22 | 110.3° | 109.0° |
| N5 | C21 | C23 | 111.7° | 109.8° |
| N5 | C21 | H29 | 109.5° | 109.5° |
| C21 | N5 | C18 | 122.3° | 121.9° |
| H28 | N5 | C18 | 118.9° | 118.7° |
| C22 | C21 | C23 | 109.6° | 109.9° |
| C22 | C21 | H29 | 108.0° | 109.7° |
| C21 | C22 | O7 | 121.3° | 118.8° |
| C21 | C22 | N6 | 114.0° | 123.5° |
| C23 | C21 | H29 | 107.7° | 108.9° |
| C21 | C23 | C24 | 121.2° | 119.9° |
| C21 | C23 | C28 | 117.3° | 121.2° |
| O7 | C22 | N6 | 124.7° | 117.7° |
| C24 | C23 | C28 | 121.5° | 119.0° |
| C23 | C24 | C25 | 119.7° | 120.1° |
| C23 | C24 | H30 | 120.1° | 119.8° |
| C23 | C28 | C27 | 118.3° | 120.5° |
| C23 | C28 | H32 | 120.8° | 119.9° |
| C25 | C24 | H30 | 120.1° | 120.1° |
| C24 | C25 | C26 | 121.9° | 121.4° |
| C24 | C25 | O11 | 124.2° | 117.9° |
| C25 | C26 | O8 | 121.9° | 120.9° |
| C25 | C26 | C27 | 116.3° | 117.9° |
| C26 | C25 | O11 | 113.9° | 120.5° |
| O8 | C26 | C27 | 121.7° | 121.2° |
| C26 | O8 | H31 | 109.5° | 114.0° |
| C26 | C27 | C28 | 122.3° | 120.8° |
| C26 | C27 | O4 | 112.8° | 120.9° |
| C27 | C28 | H32 | 120.8° | 119.5° |
| C28 | C27 | O4 | 124.9° | 118.3° |
| C29 | N6 | H33 | 118.8° | 119.7° |
| N6 | C29 | C30 | 106.3° | 110.7° |
| N6 | C29 | C31 | 116.6° | 111.0° |
| N6 | C29 | H34 | 109.7° | 110.2° |
| C29 | N6 | C22 | 122.4° | 121.0° |
| H33 | N6 | C22 | 118.8° | 119.4° |
| C30 | C29 | C31 | 106.7° | 104.3° |
| C30 | C29 | H34 | 108.6° | 110.6° |
| C29 | C30 | O9 | 118.3° | 119.3° |
| C29 | C30 | N7 | 120.6° | 116.9° |
| C31 | C29 | H34 | 108.7° | 109.9° |
| C29 | C31 | C32 | 118.3° | 117.7° |
| C29 | C31 | C36 | 121.2° | 122.4° |
| O9 | C30 | N7 | 121.0° | 123.8° |
| C32 | C31 | C36 | 120.5° | 119.9° |
| C31 | C32 | C33 | 118.4° | 121.5° |
| C31 | C32 | H35 | 120.8° | 117.7° |
| C31 | C36 | C35 | 121.1° | 119.6° |
| C31 | C36 | H38 | 119.4° | 120.5° |
| C33 | C32 | H35 | 120.8° | 120.7° |
| C32 | C33 | C34 | 120.0° | 118.0° |
| C32 | C33 | C47 | 118.9° | 122.1° |
| C33 | C34 | O10 | 119.6° | 121.4° |
| C33 | C34 | C35 | 119.9° | 119.9° |
| C34 | C33 | C47 | 121.1° | 119.7° |
| O10 | C34 | C35 | 120.5° | 118.7° |
| C34 | O10 | H36 | 109.5° | 114.0° |
| C34 | C35 | C36 | 119.8° | 120.7° |
| C34 | C35 | H37 | 120.1° | 119.4° |
| C36 | C35 | H37 | 120.1° | 119.9° |
| C35 | C36 | H38 | 119.5° | 119.9° |
| N7 | C37 | C45 | 107.2° | 110.2° |
| N7 | C37 | C44 | 111.2° | 113.2° |
| C37 | N7 | H39 | 116.3° | 117.0° |
| N7 | C37 | H40 | 107.8° | 107.8° |
| C37 | N7 | C30 | 127.3° | 126.7° |
| O11 | C40 | C38 | 121.5° | 118.4° |
| O11 | C40 | C39 | 120.4° | 121.9° |
| C40 | O11 | C25 | 116.2° | 109.5° |
| C38 | C40 | C39 | 118.1° | 119.6° |
| C40 | C38 | C42 | 122.6° | 120.4° |
| C40 | C38 | H41 | 118.7° | 120.6° |
| C40 | C39 | C43 | 120.5° | 119.3° |
| C40 | C39 | CL2 | 120.0° | 120.2° |
| C38 | C42 | C41 | 117.9° | 119.6° |
| C42 | C38 | H41 | 118.7° | 119.0° |
| C38 | C42 | H42 | 121.0° | 120.1° |
| C42 | C41 | C43 | 121.8° | 119.7° |
| C42 | C41 | C44 | 119.0° | 118.7° |
| C41 | C42 | H42 | 121.0° | 120.3° |
| C43 | C41 | C44 | 118.2° | 121.6° |
| C41 | C43 | C39 | 118.9° | 120.7° |
| C41 | C43 | H43 | 120.5° | 119.4° |
| C41 | C44 | C37 | 107.6° | 110.4° |
| C41 | C44 | O13 | 109.7° | 109.8° |
| C41 | C44 | H44 | 108.5° | 108.6° |
| C43 | C39 | CL2 | 119.4° | 120.5° |
| C39 | C43 | H43 | 120.6° | 119.9° |
| O12 | C45 | C37 | 121.2° | 117.0° |
| O12 | C45 | N8 | 120.6° | 120.8° |
| C45 | C37 | C44 | 116.3° | 110.7° |
| C45 | C37 | H40 | 107.0° | 107.8° |
| C37 | C45 | N8 | 117.8° | 122.2° |
| C37 | C44 | O13 | 111.4° | 110.5° |
| C44 | C37 | H40 | 107.0° | 106.9° |
| C37 | C44 | H44 | 109.2° | 109.0° |
| O13 | C44 | H44 | 110.4° | 108.4° |
| C44 | O13 | H45 | 109.5° | 114.0° |
| H39 | N7 | C30 | 116.3° | 116.3° |
| N8 | C52 | C51 | 111.0° | 116.0° |
| N8 | C52 | C53 | 113.6° | 111.5° |
| C52 | N8 | H46 | 118.1° | 116.5° |
| N8 | C52 | H47 | 106.6° | 107.4° |
| C52 | N8 | C45 | 123.7° | 129.2° |
| O14 | C46 | C47 | 116.2° | 121.1° |
| O14 | C46 | C48 | 121.0° | 117.9° |
| C46 | O14 | H48 | 109.5° | 114.1° |
| C47 | C46 | C48 | 122.6° | 121.0° |
| C46 | C47 | C51 | 118.5° | 118.4° |
| C46 | C47 | C33 | 120.3° | 118.3° |
| C46 | C48 | C49 | 117.6° | 119.4° |
| C46 | C48 | H49 | 121.2° | 120.2° |
| C47 | C51 | C50 | 118.9° | 118.7° |
| C47 | C51 | C52 | 121.1° | 122.7° |
| C51 | C47 | C33 | 121.2° | 123.3° |
| C48 | C49 | O15 | 122.4° | 120.4° |
| C48 | C49 | C50 | 121.3° | 119.8° |
| C49 | C48 | H49 | 121.2° | 120.4° |
| O15 | C49 | C50 | 116.0° | 119.8° |
| C49 | O15 | H50 | 109.5° | 114.0° |
| C49 | C50 | C51 | 120.5° | 121.2° |
| C49 | C50 | H51 | 119.8° | 115.7° |
| C50 | C51 | C52 | 120.0° | 118.3° |
| C51 | C50 | H51 | 119.8° | 123.0° |
| C51 | C52 | C53 | 113.2° | 110.3° |
| C51 | C52 | H47 | 105.8° | 105.8° |
| C52 | C53 | O16 | 118.9° | 120.0° |
| C52 | C53 | O17 | 119.1° | 120.0° |
| C53 | C52 | H47 | 105.9° | 105.0° |
| O16 | C53 | O17 | 121.7° | 120.0° |
| C53 | O17 | H52 | 109.5° | 117.0° |
| H46 | N8 | C45 | 118.2° | 114.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H1 | 120.1° | 124.0° |
| C1 | N1 | C2 | C3 | 64.6° | 84.5° |
| C1 | N1 | C2 | C4 | 171.8° | 155.5° |
| N1 | C1 | H2 | H3 | 120.0° | 120.1° |
| N1 | C1 | H2 | H4 | 120.0° | 120.0° |
| N1 | C1 | H3 | H4 | 120.0° | 120.0° |
| C1 | N1 | C2 | H5 | 53.3° | 35.5° |
| N1 | C2 | C3 | C4 | 122.3° | 120.0° |
| N1 | C2 | C3 | H5 | 118.3° | 120.0° |
| N1 | C2 | C4 | H5 | 119.2° | 120.0° |
| N1 | C2 | C3 | O1 | 32.3° | 26.7° |
| N1 | C2 | C4 | C5 | 63.5° | 65.0° |
| C2 | N1 | C1 | H2 | 180.0° | 175.2° |
| C2 | N1 | C1 | H3 | 60.0° | 64.7° |
| C2 | N1 | C1 | H4 | 60.0° | 55.2° |
| N1 | C2 | C4 | H6 | 174.5° | 175.0° |
| N1 | C2 | C4 | H7 | 58.6° | 55.0° |
| N1 | C2 | C3 | N2 | 151.2° | 153.3° |
| C3 | C2 | C4 | H5 | 119.7° | 120.0° |
| C2 | C3 | O1 | N2 | 176.3° | 179.9° |
| C3 | C2 | C4 | C5 | 175.4° | 175.0° |
| C3 | C2 | N1 | H1 | 55.4° | 39.5° |
| C3 | C2 | C4 | H6 | 53.4° | 55.0° |
| C3 | C2 | C4 | H7 | 62.6° | 65.0° |
| C2 | C3 | N2 | C8 | 167.1° | 180.0° |
| C2 | C3 | N2 | H15 | 12.9° | 0.1° |
| C4 | C2 | C3 | O1 | 89.9° | 93.3° |
| C2 | C4 | C5 | H6 | 122.0° | 120.0° |
| C2 | C4 | C5 | H7 | 122.0° | 120.0° |
| C2 | C4 | C5 | C6 | 179.9° | 65.0° |
| C2 | C4 | C5 | C7 | 48.3° | 175.0° |
| C4 | C2 | N1 | H1 | 68.1° | 80.6° |
| C2 | C4 | H6 | H7 | 113.4° | 120.0° |
| C2 | C4 | C5 | H8 | 65.4° | 55.0° |
| C4 | C2 | C3 | N2 | 86.5° | 86.7° |
| O1 | C3 | C2 | H5 | 150.7° | 146.7° |
| O1 | C3 | N2 | C8 | 9.3° | 0.0° |
| O1 | C3 | N2 | H15 | 170.7° | 180.0° |
| C4 | C5 | C6 | C7 | 131.4° | 120.0° |
| C4 | C5 | C6 | H8 | 114.6° | 120.0° |
| C4 | C5 | C7 | H8 | 113.8° | 120.0° |
| C5 | C4 | C2 | H5 | 55.7° | 55.0° |
| C5 | C4 | H6 | H7 | 113.3° | 120.0° |
| C4 | C5 | C6 | H9 | 180.0° | 180.0° |
| C4 | C5 | C6 | H10 | 60.0° | 60.0° |
| C4 | C5 | C6 | H11 | 60.0° | 60.0° |
| C4 | C5 | C7 | H12 | 180.0° | 60.0° |
| C4 | C5 | C7 | H13 | 60.0° | 180.0° |
| C4 | C5 | C7 | H14 | 60.0° | 60.0° |
| C6 | C5 | C7 | H8 | 113.9° | 120.0° |
| C6 | C5 | C4 | H6 | 58.1° | 55.0° |
| C6 | C5 | C4 | H7 | 57.8° | 175.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H11 | 120.0° | 120.1° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C6 | C5 | C7 | H12 | 47.7° | 180.0° |
| C6 | C5 | C7 | H13 | 167.7° | 60.0° |
| C6 | C5 | C7 | H14 | 72.3° | 60.0° |
| C7 | C5 | C4 | H6 | 73.8° | 65.0° |
| C7 | C5 | C4 | H7 | 170.3° | 55.0° |
| C7 | C5 | C6 | H9 | 48.6° | 60.1° |
| C7 | C5 | C6 | H10 | 71.4° | 180.0° |
| C7 | C5 | C6 | H11 | 168.6° | 60.0° |
| C5 | C7 | H12 | H13 | 120.0° | 119.9° |
| C5 | C7 | H12 | H14 | 120.0° | 120.0° |
| C5 | C7 | H13 | H14 | 120.0° | 120.0° |
| H1 | N1 | C1 | H2 | 59.9° | 60.9° |
| H1 | N1 | C1 | H3 | 60.1° | 59.2° |
| H1 | N1 | C1 | H4 | 179.9° | 179.2° |
| H1 | N1 | C2 | H5 | 173.4° | 159.5° |
| H2 | C1 | H3 | H4 | 120.0° | 119.9° |
| H5 | C2 | C4 | H6 | 66.3° | 65.0° |
| H5 | C2 | C4 | H7 | 177.7° | 175.0° |
| H5 | C2 | C3 | N2 | 32.9° | 33.3° |
| H6 | C4 | C5 | H8 | 172.5° | 175.0° |
| H7 | C4 | C5 | H8 | 56.6° | 64.9° |
| H8 | C5 | C6 | H9 | 65.4° | 59.9° |
| H8 | C5 | C6 | H10 | 174.6° | 60.0° |
| H8 | C5 | C6 | H11 | 54.6° | 180.0° |
| H8 | C5 | C7 | H12 | 66.2° | 60.0° |
| H8 | C5 | C7 | H13 | 53.8° | 60.0° |
| H8 | C5 | C7 | H14 | 173.8° | 180.0° |
| H9 | C6 | H10 | H11 | 120.0° | 120.0° |
| H12 | C7 | H13 | H14 | 120.0° | 120.1° |
| N2 | C8 | C9 | C10 | 126.8° | 120.5° |
| N2 | C8 | C9 | H16 | 119.6° | 119.1° |
| N2 | C8 | C10 | H16 | 115.1° | 119.4° |
| N2 | C8 | C9 | O2 | 169.9° | 46.2° |
| N2 | C8 | C10 | O3 | 48.3° | 29.3° |
| N2 | C8 | C10 | C11 | 76.0° | 150.2° |
| C8 | N2 | H15 | C3 | 180.0° | 180.0° |
| N2 | C8 | C10 | H17 | 165.9° | 90.2° |
| N2 | C8 | C9 | N3 | 9.6° | 134.5° |
| C9 | C8 | C10 | H16 | 114.6° | 120.2° |
| C8 | C9 | O2 | N3 | 179.5° | 179.3° |
| C9 | C8 | C10 | O3 | 178.6° | 91.1° |
| C9 | C8 | C10 | C11 | 54.3° | 29.8° |
| C9 | C8 | N2 | H15 | 68.3° | 95.0° |
| C9 | C8 | C10 | H17 | 63.8° | 149.4° |
| C8 | C9 | N3 | C17 | 160.7° | 163.3° |
| C8 | C9 | N3 | H22 | 19.3° | 16.3° |
| C9 | C8 | N2 | C3 | 111.7° | 85.0° |
| C10 | C8 | C9 | O2 | 63.3° | 74.3° |
| C8 | C10 | O3 | C11 | 120.8° | 120.6° |
| C8 | C10 | O3 | H17 | 115.5° | 119.4° |
| C8 | C10 | C11 | H17 | 116.7° | 119.6° |
| C8 | C10 | C11 | C12 | 96.2° | 118.8° |
| C8 | C10 | C11 | C13 | 78.4° | 61.7° |
| C10 | C8 | N2 | H15 | 58.3° | 26.5° |
| C8 | C10 | O3 | H18 | 180.0° | 180.0° |
| C10 | C8 | N2 | C3 | 121.7° | 153.5° |
| C10 | C8 | C9 | N3 | 117.2° | 105.0° |
| O2 | C9 | C8 | H16 | 50.3° | 165.3° |
| O2 | C9 | N3 | C17 | 18.8° | 17.4° |
| O2 | C9 | N3 | H22 | 161.2° | 163.0° |
| CL1 | C14 | C12 | C11 | 175.6° | 177.8° |
| CL1 | C14 | C12 | C16 | 177.9° | 179.5° |
| CL1 | C14 | C16 | C15 | 177.2° | 175.6° |
| CL1 | C14 | C16 | O4 | 1.1° | 6.8° |
| CL1 | C14 | C12 | H19 | 4.4° | 2.7° |
| O3 | C10 | C11 | H17 | 124.3° | 119.9° |
| O3 | C10 | C11 | C12 | 144.8° | 1.7° |
| O3 | C10 | C11 | C13 | 40.6° | 177.8° |
| O3 | C10 | C8 | H16 | 66.8° | 148.7° |
| C10 | C11 | C12 | C13 | 174.9° | 179.5° |
| C10 | C11 | C12 | C14 | 172.8° | 179.0° |
| C10 | C11 | C13 | C15 | 174.3° | 177.8° |
| C11 | C10 | C8 | H16 | 168.9° | 90.4° |
| C11 | C10 | O3 | H18 | 59.2° | 59.4° |
| C10 | C11 | C12 | H19 | 7.2° | 0.6° |
| C10 | C11 | C13 | H20 | 5.7° | 2.3° |
| C11 | C12 | C14 | H19 | 180.0° | 179.6° |
| C12 | C11 | C13 | C15 | 0.5° | 2.6° |
| C11 | C12 | C14 | C16 | 2.4° | 1.8° |
| C12 | C11 | C10 | H17 | 20.5° | 121.6° |
| C12 | C11 | C13 | H20 | 179.5° | 177.2° |
| C13 | C11 | C12 | C14 | 2.2° | 1.5° |
| C11 | C13 | C15 | H20 | 180.0° | 179.9° |
| C11 | C13 | C15 | C16 | 1.0° | 0.5° |
| C13 | C11 | C10 | H17 | 164.9° | 57.9° |
| C13 | C11 | C12 | H19 | 177.8° | 178.9° |
| C11 | C13 | C15 | H21 | 179.0° | 179.6° |
| C12 | C14 | C16 | C15 | 0.8° | 3.9° |
| C12 | C14 | C16 | O4 | 179.1° | 173.6° |
| C13 | C15 | C16 | C14 | 0.8° | 2.8° |
| C13 | C15 | C16 | H21 | 180.0° | 179.9° |
| C13 | C15 | C16 | O4 | 177.5° | 174.7° |
| C14 | C16 | C15 | O4 | 178.3° | 177.5° |
| C16 | C14 | C12 | H19 | 177.6° | 177.8° |
| C14 | C16 | C15 | H21 | 179.2° | 177.2° |
| C14 | C16 | O4 | C27 | 99.0° | 62.4° |
| C16 | C15 | C13 | H20 | 179.1° | 179.4° |
| C15 | C16 | O4 | C27 | 79.4° | 115.1° |
| O4 | C16 | C15 | H21 | 2.5° | 5.4° |
| C16 | O4 | C27 | C26 | 154.6° | 116.3° |
| C16 | O4 | C27 | C28 | 26.2° | 64.0° |
| H15 | N2 | C8 | H16 | 172.2° | 146.0° |
| H16 | C8 | C10 | H17 | 50.8° | 29.2° |
| H16 | C8 | N2 | C3 | 7.8° | 34.0° |
| H16 | C8 | C9 | N3 | 129.2° | 15.4° |
| H17 | C10 | O3 | H18 | 64.6° | 60.6° |
| H20 | C13 | C15 | H21 | 1.0° | 0.6° |
| C17 | N3 | H22 | C9 | 180.0° | 179.6° |
| N3 | C17 | C18 | C19 | 120.4° | 123.7° |
| N3 | C17 | C18 | H23 | 121.3° | 119.8° |
| N3 | C17 | C19 | H23 | 118.5° | 117.4° |
| N3 | C17 | C18 | O5 | 130.1° | 37.6° |
| N3 | C17 | C19 | C20 | 54.9° | 65.0° |
| N3 | C17 | C19 | H24 | 65.6° | 54.9° |
| N3 | C17 | C19 | H25 | 175.3° | 175.0° |
| N3 | C17 | C18 | N5 | 55.1° | 141.9° |
| H22 | N3 | C17 | C18 | 54.6° | 110.4° |
| H22 | N3 | C17 | C19 | 66.5° | 126.4° |
| H22 | N3 | C17 | H23 | 175.5° | 9.3° |
| C18 | C17 | C19 | H23 | 118.2° | 116.8° |
| C17 | C18 | O5 | N5 | 174.4° | 179.4° |
| C18 | C17 | C19 | C20 | 178.2° | 169.2° |
| C18 | C17 | C19 | H24 | 57.8° | 70.9° |
| C18 | C17 | C19 | H25 | 61.4° | 49.2° |
| C17 | C18 | N5 | C21 | 173.9° | 172.2° |
| C17 | C18 | N5 | H28 | 6.1° | 7.9° |
| C18 | C17 | N3 | C9 | 125.4° | 70.1° |
| C19 | C17 | C18 | O5 | 109.5° | 86.1° |
| C17 | C19 | C20 | H24 | 120.4° | 119.9° |
| C17 | C19 | C20 | H25 | 120.4° | 120.0° |
| C17 | C19 | H24 | H25 | 118.6° | 120.1° |
| C17 | C19 | C20 | O6 | 24.4° | 0.0° |
| C17 | C19 | C20 | N4 | 157.6° | 180.0° |
| C19 | C17 | N3 | C9 | 113.5° | 53.1° |
| C19 | C17 | C18 | N5 | 65.3° | 94.5° |
| H23 | C17 | C18 | O5 | 8.8° | 157.3° |
| H23 | C17 | C19 | C20 | 63.6° | 52.4° |
| H23 | C17 | C19 | H24 | 176.0° | 172.3° |
| H23 | C17 | C19 | H25 | 56.8° | 67.6° |
| H23 | C17 | N3 | C9 | 4.5° | 170.2° |
| H23 | C17 | C18 | N5 | 176.4° | 22.1° |
| O5 | C18 | N5 | C21 | 0.8° | 8.3° |
| O5 | C18 | N5 | H28 | 179.2° | 171.5° |
| C20 | C19 | H24 | H25 | 118.6° | 120.0° |
| C19 | C20 | O6 | N4 | 177.8° | 180.0° |
| C19 | C20 | N4 | H26 | 177.9° | 0.0° |
| C19 | C20 | N4 | H27 | 2.1° | 180.0° |
| H24 | C19 | C20 | O6 | 144.9° | 120.0° |
| H24 | C19 | C20 | N4 | 37.2° | 60.0° |
| H25 | C19 | C20 | O6 | 96.0° | 119.9° |
| H25 | C19 | C20 | N4 | 81.9° | 60.0° |
| O6 | C20 | N4 | H26 | 0.0° | 180.0° |
| O6 | C20 | N4 | H27 | 180.0° | 0.0° |
| C20 | N4 | H26 | H27 | 180.0° | 180.0° |
| C21 | N5 | H28 | C18 | 180.0° | 179.9° |
| N5 | C21 | C22 | C23 | 123.3° | 120.4° |
| N5 | C21 | C22 | H29 | 119.6° | 119.9° |
| N5 | C21 | C23 | H29 | 120.2° | 119.9° |
| N5 | C21 | C22 | O7 | 31.2° | 39.6° |
| N5 | C21 | C23 | C24 | 155.5° | 157.0° |
| N5 | C21 | C23 | C28 | 23.1° | 22.6° |
| N5 | C21 | C22 | N6 | 147.0° | 140.4° |
| H28 | N5 | C21 | C22 | 48.1° | 115.0° |
| H28 | N5 | C21 | C23 | 74.0° | 124.5° |
| H28 | N5 | C21 | H29 | 166.8° | 5.0° |
| C22 | C21 | C23 | H29 | 117.3° | 120.2° |
| C21 | C22 | O7 | N6 | 178.0° | 180.0° |
| C22 | C21 | C23 | C24 | 33.1° | 37.1° |
| C22 | C21 | C23 | C28 | 145.6° | 142.5° |
| C21 | C22 | N6 | C29 | 162.8° | 179.5° |
| C21 | C22 | N6 | H33 | 17.1° | 0.1° |
| C22 | C21 | N5 | C18 | 131.9° | 65.1° |
| C23 | C21 | C22 | O7 | 92.1° | 80.8° |
| C21 | C23 | C24 | C28 | 178.6° | 179.7° |
| C21 | C23 | C24 | C25 | 179.4° | 178.5° |
| C21 | C23 | C24 | H30 | 0.6° | 2.1° |
| C21 | C23 | C28 | C27 | 179.9° | 179.7° |
| C21 | C23 | C28 | H32 | 0.1° | 0.6° |
| C23 | C21 | N5 | C18 | 106.0° | 55.3° |
| C23 | C21 | C22 | N6 | 89.8° | 99.2° |
| H29 | C21 | C22 | O7 | 150.8° | 159.5° |
| H29 | C21 | C23 | C24 | 84.2° | 83.1° |
| H29 | C21 | C23 | C28 | 97.1° | 97.3° |
| H29 | C21 | N5 | C18 | 13.2° | 174.9° |
| H29 | C21 | C22 | N6 | 27.3° | 20.6° |
| O7 | C22 | N6 | C29 | 19.0° | 0.5° |
| O7 | C22 | N6 | H33 | 161.0° | 179.9° |
| C23 | C24 | C25 | H30 | 180.0° | 179.4° |
| C23 | C24 | C25 | C26 | 0.8° | 4.8° |
| C24 | C23 | C28 | C27 | 1.2° | 0.0° |
| C24 | C23 | C28 | H32 | 178.8° | 179.7° |
| C23 | C24 | C25 | O11 | 179.3° | 170.4° |
| C28 | C23 | C24 | C25 | 0.8° | 1.1° |
| C28 | C23 | C24 | H30 | 179.2° | 178.3° |
| C23 | C28 | C27 | C26 | 0.2° | 2.5° |
| C23 | C28 | C27 | H32 | 180.0° | 179.7° |
| C23 | C28 | C27 | O4 | 178.9° | 177.8° |
| C24 | C25 | C26 | O11 | 179.9° | 175.0° |
| C24 | C25 | C26 | O8 | 178.5° | 174.2° |
| C24 | C25 | C26 | C27 | 1.8° | 7.1° |
| C24 | C25 | O11 | C40 | 18.8° | 49.3° |
| H30 | C24 | C25 | C26 | 179.2° | 174.6° |
| H30 | C24 | C25 | O11 | 0.7° | 10.2° |
| C25 | C26 | O8 | C27 | 176.6° | 178.7° |
| C25 | C26 | O8 | H31 | 180.0° | 95.0° |
| C25 | C26 | C27 | C28 | 1.3° | 5.9° |
| C26 | C25 | O11 | C40 | 161.3° | 125.9° |
| C25 | C26 | C27 | O4 | 179.5° | 174.4° |
| O8 | C26 | C27 | C28 | 178.0° | 175.4° |
| O8 | C26 | C27 | O4 | 2.8° | 4.3° |
| O8 | C26 | C25 | O11 | 1.6° | 10.8° |
| C27 | C26 | O8 | H31 | 3.5° | 86.4° |
| C26 | C27 | C28 | O4 | 179.1° | 179.7° |
| C26 | C27 | C28 | H32 | 179.8° | 177.2° |
| C27 | C26 | C25 | O11 | 178.3° | 168.0° |
| H32 | C28 | C27 | O4 | 1.1° | 2.5° |
| C29 | N6 | H33 | C22 | 180.0° | 179.6° |
| N6 | C29 | C30 | C31 | 125.0° | 119.5° |
| N6 | C29 | C30 | H34 | 118.0° | 122.4° |
| N6 | C29 | C31 | H34 | 124.6° | 122.1° |
| N6 | C29 | C30 | O9 | 21.1° | 21.1° |
| N6 | C29 | C31 | C32 | 131.1° | 79.4° |
| N6 | C29 | C31 | C36 | 50.9° | 100.5° |
| N6 | C29 | C30 | N7 | 162.7° | 160.8° |
| H33 | N6 | C29 | C30 | 29.8° | 105.2° |
| H33 | N6 | C29 | C31 | 88.9° | 10.2° |
| H33 | N6 | C29 | H34 | 147.0° | 132.2° |
| C30 | C29 | C31 | H34 | 116.9° | 118.6° |
| C29 | C30 | O9 | N7 | 176.2° | 177.9° |
| C30 | C29 | C31 | C32 | 110.4° | 39.8° |
| C30 | C29 | C31 | C36 | 67.6° | 140.3° |
| C29 | C30 | N7 | C37 | 11.5° | 169.0° |
| C29 | C30 | N7 | H39 | 168.5° | 11.2° |
| C30 | C29 | N6 | C22 | 150.2° | 75.3° |
| C31 | C29 | C30 | O9 | 104.0° | 98.3° |
| C29 | C31 | C32 | C36 | 178.0° | 179.9° |
| C29 | C31 | C32 | C33 | 174.1° | 172.0° |
| C29 | C31 | C32 | H35 | 6.0° | 11.0° |
| C29 | C31 | C36 | C35 | 179.0° | 175.0° |
| C29 | C31 | C36 | H38 | 1.0° | 4.7° |
| C31 | C29 | N6 | C22 | 91.1° | 169.3° |
| C31 | C29 | C30 | N7 | 72.2° | 79.7° |
| H34 | C29 | C30 | O9 | 139.1° | 143.5° |
| H34 | C29 | C31 | C32 | 6.5° | 158.4° |
| H34 | C29 | C31 | C36 | 175.5° | 21.6° |
| H34 | C29 | N6 | C22 | 32.9° | 47.3° |
| H34 | C29 | C30 | N7 | 44.7° | 38.4° |
| O9 | C30 | N7 | C37 | 172.4° | 9.0° |
| O9 | C30 | N7 | H39 | 7.6° | 170.8° |
| C31 | C32 | C33 | H35 | 180.0° | 176.9° |
| C31 | C32 | C33 | C34 | 6.4° | 4.9° |
| C32 | C31 | C36 | C35 | 1.1° | 5.0° |
| C32 | C31 | C36 | H38 | 178.9° | 175.3° |
| C31 | C32 | C33 | C47 | 174.8° | 170.1° |
| C36 | C31 | C32 | C33 | 4.0° | 8.1° |
| C36 | C31 | C32 | H35 | 176.0° | 168.9° |
| C31 | C36 | C35 | C34 | 3.7° | 0.9° |
| C31 | C36 | C35 | H38 | 180.0° | 179.7° |
| C31 | C36 | C35 | H37 | 176.3° | 179.1° |
| C32 | C33 | C34 | C47 | 178.8° | 175.2° |
| C32 | C33 | C34 | O10 | 178.5° | 177.1° |
| C32 | C33 | C34 | C35 | 3.9° | 1.1° |
| C32 | C33 | C47 | C46 | 103.4° | 142.0° |
| C32 | C33 | C47 | C51 | 75.8° | 35.3° |
| H35 | C32 | C33 | C34 | 173.6° | 172.0° |
| H35 | C32 | C33 | C47 | 5.2° | 13.0° |
| C33 | C34 | O10 | C35 | 177.6° | 178.2° |
| C33 | C34 | O10 | H36 | 180.0° | 96.4° |
| C33 | C34 | C35 | C36 | 1.2° | 4.0° |
| C33 | C34 | C35 | H37 | 178.8° | 176.1° |
| C34 | C33 | C47 | C46 | 75.4° | 43.1° |
| C34 | C33 | C47 | C51 | 105.4° | 139.7° |
| O10 | C34 | C35 | C36 | 176.4° | 174.2° |
| O10 | C34 | C35 | H37 | 3.6° | 5.7° |
| O10 | C34 | C33 | C47 | 0.3° | 1.9° |
| C35 | C34 | O10 | H36 | 2.4° | 85.4° |
| C34 | C35 | C36 | H37 | 180.0° | 180.0° |
| C34 | C35 | C36 | H38 | 176.3° | 178.8° |
| C35 | C34 | C33 | C47 | 177.3° | 176.2° |
| H37 | C35 | C36 | H38 | 3.7° | 1.2° |
| N7 | C37 | C44 | C41 | 54.1° | 60.9° |
| N7 | C37 | C45 | O12 | 27.5° | 172.5° |
| N7 | C37 | C45 | C44 | 125.1° | 126.0° |
| N7 | C37 | C45 | H40 | 115.4° | 117.4° |
| N7 | C37 | C44 | H40 | 117.5° | 118.6° |
| N7 | C37 | C44 | O13 | 66.2° | 177.4° |
| C37 | N7 | H39 | C30 | 180.0° | 179.9° |
| N7 | C37 | C44 | H44 | 171.7° | 58.4° |
| N7 | C37 | C45 | N8 | 145.2° | 7.6° |
| O11 | C40 | C38 | C39 | 178.7° | 177.7° |
| O11 | C40 | C38 | C42 | 177.8° | 173.9° |
| O11 | C40 | C39 | C43 | 176.3° | 174.6° |
| O11 | C40 | C39 | CL2 | 0.4° | 4.3° |
| O11 | C40 | C38 | H41 | 2.2° | 5.5° |
| C40 | C38 | C42 | H41 | 180.0° | 179.4° |
| C40 | C38 | C42 | C41 | 0.1° | 1.8° |
| C38 | C40 | C39 | C43 | 5.0° | 7.8° |
| C38 | C40 | C39 | CL2 | 179.1° | 173.3° |
| C40 | C38 | C42 | H42 | 179.9° | 178.2° |
| C38 | C40 | O11 | C25 | 115.7° | 20.1° |
| C39 | C40 | C38 | C42 | 3.5° | 8.4° |
| C40 | C39 | C43 | C41 | 2.9° | 0.7° |
| C40 | C39 | C43 | CL2 | 175.9° | 178.9° |
| C39 | C40 | C38 | H41 | 176.5° | 172.2° |
| C40 | C39 | C43 | H43 | 177.1° | 179.2° |
| C39 | C40 | O11 | C25 | 65.6° | 162.3° |
| C38 | C42 | C41 | H42 | 180.0° | 180.0° |
| C38 | C42 | C41 | C43 | 2.3° | 5.3° |
| C38 | C42 | C41 | C44 | 166.4° | 174.1° |
| C42 | C41 | C43 | C44 | 168.8° | 179.3° |
| C42 | C41 | C43 | C39 | 0.8° | 5.9° |
| C42 | C41 | C44 | C37 | 91.5° | 104.7° |
| C42 | C41 | C44 | O13 | 29.9° | 133.1° |
| C41 | C42 | C38 | H41 | 179.9° | 178.8° |
| C42 | C41 | C43 | H43 | 179.2° | 172.6° |
| C42 | C41 | C44 | H44 | 150.5° | 14.8° |
| C41 | C43 | C39 | H43 | 180.0° | 178.4° |
| C41 | C43 | C39 | CL2 | 178.8° | 179.6° |
| C43 | C41 | C44 | C37 | 77.7° | 74.7° |
| C43 | C41 | C44 | O13 | 161.0° | 47.5° |
| C43 | C41 | C42 | H42 | 177.7° | 174.7° |
| C43 | C41 | C44 | H44 | 40.4° | 165.8° |
| C44 | C41 | C43 | C39 | 168.0° | 173.5° |
| C41 | C44 | C37 | C45 | 177.1° | 63.4° |
| C41 | C44 | C37 | O13 | 120.2° | 121.7° |
| C41 | C44 | C37 | H44 | 117.6° | 119.3° |
| C41 | C44 | O13 | H44 | 119.5° | 118.5° |
| C41 | C44 | C37 | H40 | 63.4° | 179.5° |
| C44 | C41 | C42 | H42 | 13.5° | 5.9° |
| C44 | C41 | C43 | H43 | 12.0° | 8.1° |
| C41 | C44 | O13 | H45 | 180.0° | 57.9° |
| CL2 | C39 | C43 | H43 | 1.2° | 2.0° |
| O12 | C45 | C37 | N8 | 172.6° | 179.8° |
| O12 | C45 | C37 | C44 | 97.6° | 46.6° |
| O12 | C45 | C37 | H40 | 142.9° | 70.0° |
| O12 | C45 | N8 | C52 | 17.2° | 47.4° |
| O12 | C45 | N8 | H46 | 162.8° | 131.7° |
| C45 | C37 | C44 | H40 | 119.5° | 117.1° |
| C45 | C37 | C44 | O13 | 56.9° | 58.3° |
| C45 | C37 | N7 | H39 | 68.6° | 121.6° |
| C45 | C37 | C44 | H44 | 65.3° | 177.3° |
| C37 | C45 | N8 | C52 | 155.5° | 132.8° |
| C37 | C45 | N8 | H46 | 24.5° | 48.1° |
| C45 | C37 | N7 | C30 | 111.4° | 58.6° |
| C37 | C44 | O13 | H44 | 121.4° | 119.4° |
| C44 | C37 | N7 | H39 | 59.5° | 113.9° |
| C37 | C44 | O13 | H45 | 61.0° | 180.0° |
| C44 | C37 | N7 | C30 | 120.5° | 65.9° |
| C44 | C37 | C45 | N8 | 89.7° | 133.6° |
| O13 | C44 | C37 | H40 | 176.3° | 58.8° |
| H39 | N7 | C37 | H40 | 176.5° | 4.2° |
| H40 | C37 | C44 | H44 | 54.2° | 60.2° |
| H40 | C37 | N7 | C30 | 3.5° | 176.0° |
| H40 | C37 | C45 | N8 | 29.7° | 109.8° |
| H41 | C38 | C42 | H42 | 0.1° | 1.2° |
| H44 | C44 | O13 | H45 | 60.5° | 60.6° |
| N8 | C52 | C51 | C47 | 76.7° | 68.7° |
| N8 | C52 | C51 | C50 | 102.2° | 117.4° |
| N8 | C52 | C51 | C53 | 129.2° | 128.0° |
| N8 | C52 | C51 | H47 | 115.3° | 119.0° |
| N8 | C52 | C53 | H47 | 116.7° | 116.0° |
| N8 | C52 | C53 | O16 | 171.5° | 35.6° |
| N8 | C52 | C53 | O17 | 3.4° | 144.4° |
| C52 | N8 | H46 | C45 | 180.0° | 179.2° |
| O14 | C46 | C47 | C48 | 175.7° | 178.7° |
| O14 | C46 | C47 | C51 | 177.8° | 169.1° |
| O14 | C46 | C48 | C49 | 178.9° | 178.0° |
| O14 | C46 | C48 | H49 | 1.1° | 1.8° |
| O14 | C46 | C47 | C33 | 3.1° | 8.3° |
| C46 | C47 | C51 | C33 | 179.2° | 177.2° |
| C47 | C46 | C48 | C49 | 5.6° | 3.3° |
| C46 | C47 | C51 | C50 | 6.9° | 14.9° |
| C46 | C47 | C51 | C52 | 174.2° | 159.0° |
| C47 | C46 | O14 | H48 | 180.0° | 85.2° |
| C47 | C46 | C48 | H49 | 174.4° | 176.9° |
| C48 | C46 | C47 | C51 | 6.5° | 12.3° |
| C46 | C48 | C49 | H49 | 180.0° | 179.8° |
| C46 | C48 | C49 | O15 | 179.5° | 178.5° |
| C46 | C48 | C49 | C50 | 5.2° | 2.9° |
| C48 | C46 | O14 | H48 | 4.2° | 96.1° |
| C48 | C46 | C47 | C33 | 172.6° | 170.4° |
| C47 | C51 | C50 | C49 | 6.7° | 9.0° |
| C47 | C51 | C50 | C52 | 178.9° | 174.1° |
| C47 | C51 | C52 | C53 | 154.1° | 163.3° |
| C47 | C51 | C52 | H47 | 38.6° | 50.3° |
| C47 | C51 | C50 | H51 | 173.3° | 166.4° |
| C48 | C49 | O15 | C50 | 174.6° | 178.6° |
| C48 | C49 | C50 | C51 | 6.0° | 0.0° |
| C48 | C49 | O15 | H50 | 180.0° | 90.0° |
| C48 | C49 | C50 | H51 | 174.1° | 175.8° |
| O15 | C49 | C50 | C51 | 179.3° | 178.6° |
| O15 | C49 | C48 | H49 | 0.5° | 1.7° |
| O15 | C49 | C50 | H51 | 0.6° | 5.7° |
| C49 | C50 | C51 | H51 | 180.0° | 175.4° |
| C49 | C50 | C51 | C52 | 174.4° | 165.1° |
| C50 | C49 | C48 | H49 | 174.8° | 176.9° |
| C50 | C49 | O15 | H50 | 5.4° | 91.4° |
| C50 | C51 | C52 | C53 | 27.0° | 10.6° |
| C50 | C51 | C52 | H47 | 142.5° | 123.6° |
| C50 | C51 | C47 | C33 | 172.2° | 167.9° |
| C51 | C52 | C53 | H47 | 115.5° | 113.5° |
| C51 | C52 | C53 | O16 | 60.7° | 94.8° |
| C51 | C52 | C53 | O17 | 124.5° | 85.1° |
| C51 | C52 | N8 | H46 | 38.8° | 32.8° |
| C52 | C51 | C50 | H51 | 5.6° | 19.4° |
| C52 | C51 | C47 | C33 | 6.7° | 18.2° |
| C51 | C52 | N8 | C45 | 141.2° | 146.3° |
| C52 | C53 | O16 | O17 | 174.7° | 180.0° |
| C53 | C52 | N8 | H46 | 90.2° | 160.2° |
| C52 | C53 | O17 | H52 | 174.7° | 179.9° |
| C53 | C52 | N8 | C45 | 89.9° | 18.9° |
| O16 | C53 | C52 | H47 | 54.8° | 151.6° |
| O16 | C53 | O17 | H52 | 0.0° | 0.1° |
| O17 | C53 | C52 | H47 | 120.0° | 28.4° |
| H46 | N8 | C52 | H47 | 153.6° | 85.3° |
| H47 | C52 | N8 | C45 | 26.4° | 95.6° |
