PRD_000561
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.52Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C1 | H2 | sing | 1.10Å | 1.10Å | |
| C1 | H3 | sing | 1.10Å | 1.10Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | H4 | sing | 1.10Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| C3 | H6 | sing | 1.10Å | 1.10Å | |
| C3 | H7 | sing | 1.10Å | 1.10Å | |
| C4 | O1 | doub | 1.22Å | 1.22Å | |
| C5 | O2 | doub | 1.22Å | 1.22Å | |
| C5 | C6 | sing | 1.58Å | 1.58Å | |
| C6 | N1 | sing | 1.46Å | 1.46Å | |
| C6 | C7 | sing | 1.54Å | 1.54Å | |
| C6 | H8 | sing | 1.10Å | 1.10Å | |
| N1 | H9 | sing | 1.00Å | 1.00Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C7 | H10 | sing | 1.10Å | 1.10Å | |
| C7 | H11 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.52Å | 1.52Å | |
| C8 | H12 | sing | 1.10Å | 1.10Å | |
| C8 | H13 | sing | 1.10Å | 1.10Å | |
| C9 | N2 | sing | 1.47Å | 1.47Å | |
| C9 | H14 | sing | 1.10Å | 1.10Å | |
| C9 | H15 | sing | 1.10Å | 1.10Å | |
| N2 | C10 | sing | 1.33Å | 1.33Å | |
| N2 | H16 | sing | 1.00Å | 1.00Å | |
| C10 | O3 | doub | 1.22Å | 1.22Å | |
| C10 | N3 | sing | 1.33Å | 1.33Å | |
| N3 | H17 | sing | 1.00Å | 1.00Å | |
| N4 | C11 | sing | 1.45Å | 1.45Å | |
| N4 | H18 | sing | 1.00Å | 1.00Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C11 | C13 | sing | 1.59Å | 1.59Å | |
| C11 | H19 | sing | 1.10Å | 1.10Å | |
| C12 | O4 | doub | 1.22Å | 1.22Å | |
| C13 | O5 | sing | 1.42Å | 1.42Å | |
| C13 | C14 | sing | 1.49Å | 1.49Å | |
| C13 | H20 | sing | 1.10Å | 1.10Å | |
| C14 | H21 | sing | 1.10Å | 1.10Å | |
| C14 | H22 | sing | 1.10Å | 1.10Å | |
| C14 | H23 | sing | 1.10Å | 1.10Å | |
| N5 | C15 | sing | 1.48Å | 1.48Å | |
| N5 | H24 | sing | 1.00Å | 1.00Å | |
| C15 | C16 | doub | 1.36Å | 1.36Å | |
| C15 | C18 | sing | 1.49Å | 1.49Å | |
| C16 | C17 | sing | 1.52Å | 1.52Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.10Å | 1.10Å | |
| C17 | H27 | sing | 1.10Å | 1.10Å | |
| C17 | H28 | sing | 1.10Å | 1.10Å | |
| C18 | O6 | doub | 1.23Å | 1.23Å | |
| N6 | C19 | sing | 1.46Å | 1.46Å | |
| N6 | H29 | sing | 1.00Å | 1.00Å | |
| C19 | C20 | sing | 1.58Å | 1.58Å | |
| C19 | C21 | sing | 1.54Å | 1.54Å | |
| C19 | H30 | sing | 1.10Å | 1.10Å | |
| C20 | O7 | doub | 1.24Å | 1.24Å | |
| C21 | C22 | sing | 1.52Å | 1.52Å | |
| C21 | H31 | sing | 1.10Å | 1.10Å | |
| C21 | H32 | sing | 1.10Å | 1.10Å | |
| C22 | C23 | sing | 1.52Å | 1.52Å | |
| C22 | H33 | sing | 1.10Å | 1.10Å | |
| C22 | H34 | sing | 1.10Å | 1.10Å | |
| C23 | O8 | sing | 1.42Å | 1.42Å | |
| C23 | H35 | sing | 1.10Å | 1.10Å | |
| O8 | H36 | sing | 0.95Å | 0.95Å | |
| N7 | C24 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.55Å | 1.55Å | |
| C24 | C26 | sing | 1.54Å | 1.54Å | |
| C24 | H37 | sing | 1.10Å | 1.10Å | |
| C25 | O9 | doub | 1.22Å | 1.22Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | H38 | sing | 1.10Å | 1.10Å | |
| C26 | H39 | sing | 1.10Å | 1.10Å | |
| C27 | C28 | doub | 1.42Å | 1.42Å | Aromatic |
| C27 | C29 | sing | 1.42Å | 1.42Å | Aromatic |
| C28 | C30 | sing | 1.42Å | 1.42Å | Aromatic |
| C28 | H40 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.41Å | 1.41Å | Aromatic |
| C29 | H41 | sing | 1.08Å | 1.08Å | |
| C30 | C32 | doub | 1.41Å | 1.41Å | Aromatic |
| C30 | H42 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | H43 | sing | 1.08Å | 1.08Å | |
| C32 | H44 | sing | 1.08Å | 1.08Å | |
| N8 | C33 | sing | 1.47Å | 1.47Å | |
| N8 | C35 | sing | 1.48Å | 1.48Å | |
| C33 | C34 | sing | 1.52Å | 1.52Å | |
| C33 | C36 | sing | 1.52Å | 1.52Å | |
| C33 | H45 | sing | 1.10Å | 1.10Å | |
| C34 | O10 | doub | 1.22Å | 1.22Å | |
| C35 | H46 | sing | 1.10Å | 1.10Å | |
| C35 | H47 | sing | 1.10Å | 1.10Å | |
| C35 | H48 | sing | 1.10Å | 1.10Å | |
| C36 | C37 | sing | 1.49Å | 1.49Å | |
| C36 | H49 | sing | 1.10Å | 1.10Å | |
| C36 | H50 | sing | 1.10Å | 1.10Å | |
| C37 | C38 | doub | 1.41Å | 1.41Å | Aromatic |
| C37 | C39 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | H51 | sing | 1.08Å | 1.08Å | |
| C40 | C42 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | H52 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | sing | 1.40Å | 1.40Å | Aromatic |
| C41 | O11 | sing | 1.37Å | 1.37Å | |
| C42 | O12 | sing | 1.41Å | 1.41Å | |
| O11 | H53 | sing | 0.95Å | 0.95Å | |
| O12 | H54 | sing | 0.95Å | 0.95Å | |
| N9 | C43 | sing | 1.47Å | 1.47Å | |
| N9 | H55 | sing | 1.00Å | 1.00Å | |
| C43 | C44 | sing | 1.56Å | 1.56Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H56 | sing | 1.10Å | 1.10Å | |
| C44 | O13 | doub | 1.19Å | 1.19Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | C47 | sing | 1.51Å | 1.51Å | |
| C45 | H57 | sing | 1.10Å | 1.10Å | |
| C46 | H58 | sing | 1.10Å | 1.10Å | |
| C46 | H59 | sing | 1.10Å | 1.10Å | |
| C46 | H60 | sing | 1.10Å | 1.10Å | |
| C47 | H61 | sing | 1.10Å | 1.10Å | |
| C47 | H62 | sing | 1.10Å | 1.10Å | |
| C47 | H63 | sing | 1.10Å | 1.10Å | |
| C4 | N1 | sing | 1.32Å | 1.32Å | |
| C5 | N4 | sing | 1.36Å | 1.36Å | |
| C12 | N5 | sing | 1.37Å | 1.37Å | |
| C18 | N6 | sing | 1.31Å | 1.31Å | |
| C20 | N7 | sing | 1.39Å | 1.39Å | |
| C25 | N8 | sing | 1.35Å | 1.35Å | |
| C34 | N9 | sing | 1.36Å | 1.36Å | |
| N3 | C38 | sing | 1.36Å | 1.36Å | |
| O5 | C44 | sing | 1.31Å | 1.31Å | |
| C23 | N7 | sing | 1.48Å | 1.48Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | C3 | 109.6° | 109.6° |
| C1 | C2 | C4 | 111.2° | 111.2° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| C3 | C2 | C4 | 108.1° | 108.1° |
| C3 | C2 | H4 | 109.2° | 109.1° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C4 | C2 | H4 | 109.3° | 109.4° |
| C2 | C4 | O1 | 125.0° | 125.0° |
| C2 | C4 | N1 | 114.5° | 114.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.4° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| O1 | C4 | N1 | 120.5° | 120.5° |
| O2 | C5 | C6 | 120.0° | 120.0° |
| O2 | C5 | N4 | 123.3° | 123.3° |
| C5 | C6 | N1 | 108.9° | 108.9° |
| C5 | C6 | C7 | 109.3° | 109.3° |
| C5 | C6 | H8 | 109.4° | 109.4° |
| C6 | C5 | N4 | 116.7° | 116.7° |
| N1 | C6 | C7 | 108.5° | 108.5° |
| N1 | C6 | H8 | 110.9° | 110.9° |
| C6 | N1 | H9 | 119.5° | 119.4° |
| C6 | N1 | C4 | 121.0° | 121.0° |
| C7 | C6 | H8 | 109.8° | 109.8° |
| C6 | C7 | C8 | 115.0° | 115.0° |
| C6 | C7 | H10 | 108.1° | 108.1° |
| C6 | C7 | H11 | 108.1° | 108.1° |
| H9 | N1 | C4 | 119.5° | 119.5° |
| C8 | C7 | H10 | 108.1° | 108.1° |
| C8 | C7 | H11 | 108.1° | 108.1° |
| C7 | C8 | C9 | 116.9° | 116.9° |
| C7 | C8 | H12 | 107.6° | 107.6° |
| C7 | C8 | H13 | 107.6° | 107.6° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| C9 | C8 | H12 | 107.6° | 107.6° |
| C9 | C8 | H13 | 107.6° | 107.6° |
| C8 | C9 | N2 | 111.3° | 111.3° |
| C8 | C9 | H14 | 109.0° | 109.0° |
| C8 | C9 | H15 | 109.0° | 109.0° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| N2 | C9 | H14 | 109.0° | 109.0° |
| N2 | C9 | H15 | 109.0° | 109.0° |
| C9 | N2 | C10 | 116.7° | 116.7° |
| C9 | N2 | H16 | 121.7° | 121.7° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| C10 | N2 | H16 | 121.6° | 121.6° |
| N2 | C10 | O3 | 125.5° | 125.5° |
| N2 | C10 | N3 | 114.4° | 114.4° |
| O3 | C10 | N3 | 120.1° | 120.1° |
| C10 | N3 | H17 | 120.1° | 120.1° |
| C10 | N3 | C38 | 119.8° | 119.8° |
| H17 | N3 | C38 | 120.1° | 120.1° |
| C11 | N4 | H18 | 121.0° | 121.0° |
| N4 | C11 | C12 | 114.3° | 114.3° |
| N4 | C11 | C13 | 115.1° | 115.1° |
| N4 | C11 | H19 | 107.4° | 107.4° |
| C11 | N4 | C5 | 117.9° | 117.9° |
| H18 | N4 | C5 | 121.0° | 121.0° |
| C12 | C11 | C13 | 107.2° | 107.2° |
| C12 | C11 | H19 | 106.3° | 106.3° |
| C11 | C12 | O4 | 121.9° | 121.9° |
| C11 | C12 | N5 | 111.5° | 111.5° |
| C13 | C11 | H19 | 105.8° | 105.8° |
| C11 | C13 | O5 | 110.0° | 110.0° |
| C11 | C13 | C14 | 108.4° | 108.4° |
| C11 | C13 | H20 | 107.9° | 107.9° |
| O4 | C12 | N5 | 126.5° | 126.5° |
| O5 | C13 | C14 | 111.3° | 111.3° |
| O5 | C13 | H20 | 110.1° | 110.1° |
| C13 | O5 | C44 | 117.3° | 117.3° |
| C14 | C13 | H20 | 109.1° | 109.1° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C13 | C14 | H22 | 109.4° | 109.5° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H23 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| C15 | N5 | H24 | 119.0° | 119.0° |
| N5 | C15 | C16 | 121.6° | 121.6° |
| N5 | C15 | C18 | 118.9° | 118.9° |
| C15 | N5 | C12 | 121.9° | 121.9° |
| H24 | N5 | C12 | 119.1° | 119.1° |
| C16 | C15 | C18 | 119.5° | 119.5° |
| C15 | C16 | C17 | 123.5° | 123.5° |
| C15 | C16 | H25 | 118.2° | 118.3° |
| C15 | C18 | O6 | 119.1° | 119.1° |
| C15 | C18 | N6 | 118.0° | 118.0° |
| C17 | C16 | H25 | 118.3° | 118.3° |
| C16 | C17 | H26 | 109.5° | 109.5° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.4° | 109.4° |
| H26 | C17 | H28 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| O6 | C18 | N6 | 122.9° | 122.9° |
| C19 | N6 | H29 | 120.3° | 120.3° |
| N6 | C19 | C20 | 112.0° | 112.0° |
| N6 | C19 | C21 | 109.2° | 109.2° |
| N6 | C19 | H30 | 108.1° | 108.1° |
| C19 | N6 | C18 | 119.5° | 119.5° |
| H29 | N6 | C18 | 120.2° | 120.2° |
| C20 | C19 | C21 | 113.5° | 113.5° |
| C20 | C19 | H30 | 106.7° | 106.7° |
| C19 | C20 | O7 | 121.8° | 121.8° |
| C19 | C20 | N7 | 117.0° | 117.0° |
| C21 | C19 | H30 | 107.1° | 107.1° |
| C19 | C21 | C22 | 106.7° | 106.7° |
| C19 | C21 | H31 | 110.2° | 110.2° |
| C19 | C21 | H32 | 110.2° | 110.2° |
| O7 | C20 | N7 | 121.2° | 121.2° |
| C22 | C21 | H31 | 110.2° | 110.2° |
| C22 | C21 | H32 | 110.2° | 110.2° |
| C21 | C22 | C23 | 111.6° | 111.6° |
| C21 | C22 | H33 | 108.9° | 108.9° |
| C21 | C22 | H34 | 108.9° | 108.9° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| C23 | C22 | H33 | 108.9° | 108.9° |
| C23 | C22 | H34 | 108.9° | 108.9° |
| C22 | C23 | O8 | 110.1° | 110.1° |
| C22 | C23 | H35 | 110.9° | 110.9° |
| C22 | C23 | N7 | 112.1° | 112.1° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| O8 | C23 | H35 | 112.5° | 112.5° |
| C23 | O8 | H36 | 109.5° | 109.5° |
| O8 | C23 | N7 | 99.4° | 99.4° |
| H35 | C23 | N7 | 111.4° | 111.4° |
| N7 | C24 | C25 | 111.5° | 111.5° |
| N7 | C24 | C26 | 111.1° | 111.1° |
| N7 | C24 | H37 | 109.8° | 109.8° |
| C24 | N7 | C20 | 117.6° | 117.6° |
| C24 | N7 | C23 | 118.4° | 118.4° |
| C25 | C24 | C26 | 106.6° | 106.6° |
| C25 | C24 | H37 | 108.8° | 108.8° |
| C24 | C25 | O9 | 118.2° | 118.2° |
| C24 | C25 | N8 | 121.1° | 121.1° |
| C26 | C24 | H37 | 108.9° | 108.9° |
| C24 | C26 | C27 | 112.5° | 112.5° |
| C24 | C26 | H38 | 108.7° | 108.7° |
| C24 | C26 | H39 | 108.7° | 108.7° |
| O9 | C25 | N8 | 120.7° | 120.7° |
| C27 | C26 | H38 | 108.7° | 108.7° |
| C27 | C26 | H39 | 108.7° | 108.7° |
| C26 | C27 | C28 | 117.7° | 117.7° |
| C26 | C27 | C29 | 118.6° | 118.6° |
| H38 | C26 | H39 | 109.5° | 109.5° |
| C28 | C27 | C29 | 123.7° | 123.7° |
| C27 | C28 | C30 | 115.1° | 115.1° |
| C27 | C28 | H40 | 122.4° | 122.4° |
| C27 | C29 | C31 | 119.4° | 119.4° |
| C27 | C29 | H41 | 120.3° | 120.3° |
| C30 | C28 | H40 | 122.4° | 122.4° |
| C28 | C30 | C32 | 122.1° | 122.1° |
| C28 | C30 | H42 | 118.9° | 118.9° |
| C31 | C29 | H41 | 120.3° | 120.3° |
| C29 | C31 | C32 | 118.1° | 118.1° |
| C29 | C31 | H43 | 121.0° | 121.0° |
| C32 | C30 | H42 | 119.0° | 119.0° |
| C30 | C32 | C31 | 121.5° | 121.5° |
| C30 | C32 | H44 | 119.2° | 119.2° |
| C32 | C31 | H43 | 120.9° | 120.9° |
| C31 | C32 | H44 | 119.3° | 119.3° |
| C33 | N8 | C35 | 114.5° | 114.5° |
| N8 | C33 | C34 | 120.9° | 120.9° |
| N8 | C33 | C36 | 109.7° | 109.7° |
| N8 | C33 | H45 | 105.8° | 105.8° |
| C33 | N8 | C25 | 123.0° | 123.0° |
| N8 | C35 | H46 | 109.5° | 109.5° |
| N8 | C35 | H47 | 109.5° | 109.5° |
| N8 | C35 | H48 | 109.5° | 109.5° |
| C35 | N8 | C25 | 122.4° | 122.4° |
| C34 | C33 | C36 | 108.7° | 108.7° |
| C34 | C33 | H45 | 105.2° | 105.2° |
| C33 | C34 | O10 | 120.3° | 120.3° |
| C33 | C34 | N9 | 112.4° | 112.4° |
| C36 | C33 | H45 | 105.3° | 105.3° |
| C33 | C36 | C37 | 109.3° | 109.3° |
| C33 | C36 | H49 | 109.5° | 109.5° |
| C33 | C36 | H50 | 109.5° | 109.5° |
| O10 | C34 | N9 | 127.2° | 127.2° |
| H46 | C35 | H47 | 109.5° | 109.5° |
| H46 | C35 | H48 | 109.4° | 109.5° |
| H47 | C35 | H48 | 109.5° | 109.5° |
| C37 | C36 | H49 | 109.5° | 109.5° |
| C37 | C36 | H50 | 109.5° | 109.5° |
| C36 | C37 | C38 | 119.2° | 119.2° |
| C36 | C37 | C39 | 118.3° | 118.3° |
| H49 | C36 | H50 | 109.5° | 109.4° |
| C38 | C37 | C39 | 122.5° | 122.5° |
| C37 | C38 | C40 | 119.8° | 119.8° |
| C37 | C38 | N3 | 123.8° | 123.8° |
| C37 | C39 | C41 | 116.5° | 116.5° |
| C37 | C39 | H51 | 121.7° | 121.7° |
| C38 | C40 | C42 | 118.1° | 118.1° |
| C38 | C40 | H52 | 121.0° | 121.0° |
| C40 | C38 | N3 | 116.3° | 116.3° |
| C41 | C39 | H51 | 121.7° | 121.7° |
| C39 | C41 | C42 | 121.6° | 121.6° |
| C39 | C41 | O11 | 117.4° | 117.4° |
| C42 | C40 | H52 | 120.9° | 120.9° |
| C40 | C42 | C41 | 121.5° | 121.5° |
| C40 | C42 | O12 | 117.3° | 117.3° |
| C42 | C41 | O11 | 121.0° | 121.0° |
| C41 | C42 | O12 | 121.1° | 121.1° |
| C41 | O11 | H53 | 109.5° | 109.5° |
| C42 | O12 | H54 | 109.5° | 109.5° |
| C43 | N9 | H55 | 119.6° | 119.6° |
| N9 | C43 | C44 | 112.9° | 112.9° |
| N9 | C43 | C45 | 112.4° | 112.4° |
| N9 | C43 | H56 | 109.0° | 109.0° |
| C43 | N9 | C34 | 120.7° | 120.7° |
| H55 | N9 | C34 | 119.6° | 119.6° |
| C44 | C43 | C45 | 106.2° | 106.2° |
| C44 | C43 | H56 | 107.9° | 107.9° |
| C43 | C44 | O13 | 120.2° | 120.2° |
| C43 | C44 | O5 | 115.2° | 115.2° |
| C45 | C43 | H56 | 108.2° | 108.2° |
| C43 | C45 | C46 | 110.8° | 110.8° |
| C43 | C45 | C47 | 111.2° | 111.2° |
| C43 | C45 | H57 | 107.4° | 107.4° |
| O13 | C44 | O5 | 124.6° | 124.6° |
| C46 | C45 | C47 | 112.3° | 112.3° |
| C46 | C45 | H57 | 107.3° | 107.3° |
| C45 | C46 | H58 | 109.5° | 109.5° |
| C45 | C46 | H59 | 109.5° | 109.5° |
| C45 | C46 | H60 | 109.4° | 109.4° |
| C47 | C45 | H57 | 107.6° | 107.6° |
| C45 | C47 | H61 | 109.5° | 109.5° |
| C45 | C47 | H62 | 109.4° | 109.4° |
| C45 | C47 | H63 | 109.4° | 109.4° |
| H58 | C46 | H59 | 109.4° | 109.4° |
| H58 | C46 | H60 | 109.5° | 109.5° |
| H59 | C46 | H60 | 109.5° | 109.5° |
| H61 | C47 | H62 | 109.5° | 109.5° |
| H61 | C47 | H63 | 109.4° | 109.4° |
| H62 | C47 | H63 | 109.5° | 109.5° |
| C20 | N7 | C23 | 123.9° | 123.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 121.3° | 121.3° |
| C1 | C2 | C3 | H4 | 119.9° | 119.8° |
| C1 | C2 | C4 | H4 | 121.0° | 121.0° |
| C1 | C2 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C3 | H7 | 60.0° | 60.0° |
| C1 | C2 | C4 | O1 | 79.0° | 79.0° |
| C1 | C2 | C4 | N1 | 103.4° | 103.4° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 180.0° | 180.0° |
| H1 | C1 | C2 | C4 | 60.6° | 60.6° |
| H1 | C1 | C2 | H4 | 60.3° | 60.4° |
| H2 | C1 | C2 | C3 | 60.0° | 60.0° |
| H2 | C1 | C2 | C4 | 59.4° | 59.4° |
| H2 | C1 | C2 | H4 | 179.7° | 179.6° |
| H3 | C1 | C2 | C3 | 60.0° | 60.0° |
| H3 | C1 | C2 | C4 | 179.4° | 179.4° |
| H3 | C1 | C2 | H4 | 59.7° | 59.6° |
| C3 | C2 | C4 | H4 | 118.7° | 118.7° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C3 | C2 | C4 | O1 | 41.2° | 41.2° |
| C3 | C2 | C4 | N1 | 136.3° | 136.3° |
| C4 | C2 | C3 | H5 | 58.7° | 58.7° |
| C4 | C2 | C3 | H6 | 178.7° | 178.7° |
| C4 | C2 | C3 | H7 | 61.3° | 61.3° |
| C2 | C4 | O1 | N1 | 177.4° | 177.4° |
| C2 | C4 | N1 | C6 | 167.5° | 167.5° |
| C2 | C4 | N1 | H9 | 12.5° | 12.5° |
| H4 | C2 | C3 | H5 | 60.1° | 60.2° |
| H4 | C2 | C3 | H6 | 59.9° | 59.8° |
| H4 | C2 | C3 | H7 | 179.9° | 179.8° |
| H4 | C2 | C4 | O1 | 160.0° | 160.0° |
| H4 | C2 | C4 | N1 | 17.6° | 17.6° |
| H5 | C3 | H6 | H7 | 120.0° | 120.0° |
| O1 | C4 | N1 | C6 | 10.2° | 10.2° |
| O1 | C4 | N1 | H9 | 169.8° | 169.8° |
| O2 | C5 | C6 | N4 | 178.5° | 178.5° |
| O2 | C5 | C6 | N1 | 61.7° | 61.7° |
| O2 | C5 | C6 | C7 | 56.6° | 56.6° |
| O2 | C5 | C6 | H8 | 176.9° | 176.9° |
| O2 | C5 | N4 | C11 | 4.8° | 4.8° |
| O2 | C5 | N4 | H18 | 175.2° | 175.2° |
| C5 | C6 | N1 | C7 | 118.9° | 118.9° |
| C5 | C6 | N1 | H8 | 120.4° | 120.4° |
| C5 | C6 | C7 | H8 | 120.0° | 120.0° |
| C5 | C6 | N1 | H9 | 87.1° | 87.1° |
| C5 | C6 | C7 | C8 | 42.3° | 42.3° |
| C5 | C6 | C7 | H10 | 163.2° | 163.2° |
| C5 | C6 | C7 | H11 | 78.5° | 78.5° |
| C6 | C5 | N4 | C11 | 173.7° | 173.7° |
| C6 | C5 | N4 | H18 | 6.3° | 6.3° |
| C5 | C6 | N1 | C4 | 92.9° | 92.9° |
| N1 | C6 | C7 | H8 | 121.4° | 121.4° |
| C6 | N1 | H9 | C4 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 161.0° | 161.0° |
| N1 | C6 | C7 | H10 | 78.2° | 78.2° |
| N1 | C6 | C7 | H11 | 40.1° | 40.1° |
| N1 | C6 | C5 | N4 | 119.7° | 119.7° |
| C7 | C6 | N1 | H9 | 31.7° | 31.7° |
| C6 | C7 | C8 | H10 | 120.8° | 120.8° |
| C6 | C7 | C8 | H11 | 120.8° | 120.8° |
| C6 | C7 | H10 | H11 | 117.5° | 117.5° |
| C6 | C7 | C8 | C9 | 68.4° | 68.4° |
| C6 | C7 | C8 | H12 | 170.5° | 170.5° |
| C6 | C7 | C8 | H13 | 52.7° | 52.7° |
| C7 | C6 | N1 | C4 | 148.3° | 148.3° |
| C7 | C6 | C5 | N4 | 121.9° | 121.9° |
| H8 | C6 | N1 | H9 | 152.5° | 152.5° |
| H8 | C6 | C7 | C8 | 77.6° | 77.6° |
| H8 | C6 | C7 | H10 | 43.2° | 43.2° |
| H8 | C6 | C7 | H11 | 161.6° | 161.6° |
| H8 | C6 | N1 | C4 | 27.6° | 27.6° |
| H8 | C6 | C5 | N4 | 1.7° | 1.7° |
| C8 | C7 | H10 | H11 | 117.5° | 117.5° |
| C7 | C8 | C9 | H12 | 121.1° | 121.1° |
| C7 | C8 | C9 | H13 | 121.1° | 121.1° |
| C7 | C8 | H12 | H13 | 116.7° | 116.7° |
| C7 | C8 | C9 | N2 | 161.4° | 161.4° |
| C7 | C8 | C9 | H14 | 41.2° | 41.2° |
| C7 | C8 | C9 | H15 | 78.3° | 78.3° |
| H10 | C7 | C8 | C9 | 52.4° | 52.4° |
| H10 | C7 | C8 | H12 | 68.7° | 68.7° |
| H10 | C7 | C8 | H13 | 173.5° | 173.5° |
| H11 | C7 | C8 | C9 | 170.8° | 170.8° |
| H11 | C7 | C8 | H12 | 49.7° | 49.7° |
| H11 | C7 | C8 | H13 | 68.2° | 68.2° |
| C9 | C8 | H12 | H13 | 116.6° | 116.6° |
| C8 | C9 | N2 | H14 | 120.3° | 120.3° |
| C8 | C9 | N2 | H15 | 120.3° | 120.3° |
| C8 | C9 | H14 | H15 | 119.2° | 119.2° |
| C8 | C9 | N2 | C10 | 127.5° | 127.5° |
| C8 | C9 | N2 | H16 | 52.6° | 52.6° |
| H12 | C8 | C9 | N2 | 77.5° | 77.5° |
| H12 | C8 | C9 | H14 | 162.2° | 162.2° |
| H12 | C8 | C9 | H15 | 42.8° | 42.8° |
| H13 | C8 | C9 | N2 | 40.3° | 40.3° |
| H13 | C8 | C9 | H14 | 79.9° | 79.9° |
| H13 | C8 | C9 | H15 | 160.6° | 160.6° |
| N2 | C9 | H14 | H15 | 119.2° | 119.2° |
| C9 | N2 | C10 | H16 | 180.0° | 180.0° |
| C9 | N2 | C10 | O3 | 4.9° | 4.9° |
| C9 | N2 | C10 | N3 | 172.7° | 172.7° |
| H14 | C9 | N2 | C10 | 112.3° | 112.3° |
| H14 | C9 | N2 | H16 | 67.7° | 67.7° |
| H15 | C9 | N2 | C10 | 7.2° | 7.2° |
| H15 | C9 | N2 | H16 | 172.8° | 172.8° |
| N2 | C10 | O3 | N3 | 177.5° | 177.5° |
| N2 | C10 | N3 | H17 | 9.3° | 9.3° |
| N2 | C10 | N3 | C38 | 170.7° | 170.7° |
| H16 | N2 | C10 | O3 | 175.1° | 175.1° |
| H16 | N2 | C10 | N3 | 7.3° | 7.3° |
| O3 | C10 | N3 | H17 | 172.9° | 172.9° |
| O3 | C10 | N3 | C38 | 7.1° | 7.1° |
| C10 | N3 | H17 | C38 | 180.0° | 180.0° |
| C10 | N3 | C38 | C37 | 79.7° | 79.7° |
| C10 | N3 | C38 | C40 | 104.2° | 104.2° |
| H17 | N3 | C38 | C37 | 100.3° | 100.3° |
| H17 | N3 | C38 | C40 | 75.8° | 75.8° |
| C11 | N4 | H18 | C5 | 180.0° | 180.0° |
| N4 | C11 | C12 | C13 | 128.9° | 128.9° |
| N4 | C11 | C12 | H19 | 118.3° | 118.3° |
| N4 | C11 | C13 | H19 | 118.4° | 118.4° |
| N4 | C11 | C12 | O4 | 28.1° | 28.1° |
| N4 | C11 | C13 | O5 | 47.5° | 47.5° |
| N4 | C11 | C13 | C14 | 74.4° | 74.4° |
| N4 | C11 | C13 | H20 | 167.7° | 167.7° |
| N4 | C11 | C12 | N5 | 149.9° | 149.9° |
| H18 | N4 | C11 | C12 | 109.9° | 109.9° |
| H18 | N4 | C11 | C13 | 14.9° | 14.9° |
| H18 | N4 | C11 | H19 | 132.4° | 132.4° |
| C12 | C11 | C13 | H19 | 113.2° | 113.2° |
| C11 | C12 | O4 | N5 | 177.8° | 177.8° |
| C12 | C11 | C13 | O5 | 80.9° | 80.9° |
| C12 | C11 | C13 | C14 | 157.2° | 157.2° |
| C12 | C11 | C13 | H20 | 39.2° | 39.2° |
| C11 | C12 | N5 | C15 | 171.8° | 171.8° |
| C11 | C12 | N5 | H24 | 8.2° | 8.2° |
| C12 | C11 | N4 | C5 | 70.0° | 70.0° |
| C13 | C11 | C12 | O4 | 100.8° | 100.8° |
| C11 | C13 | O5 | C14 | 120.1° | 120.1° |
| C11 | C13 | O5 | H20 | 118.8° | 118.8° |
| C11 | C13 | C14 | H20 | 117.2° | 117.2° |
| C11 | C13 | C14 | H21 | 180.0° | 180.0° |
| C11 | C13 | C14 | H22 | 60.0° | 60.0° |
| C11 | C13 | C14 | H23 | 60.0° | 60.0° |
| C13 | C11 | N4 | C5 | 165.2° | 165.2° |
| C13 | C11 | C12 | N5 | 81.2° | 81.2° |
| C11 | C13 | O5 | C44 | 100.9° | 100.9° |
| H19 | C11 | C12 | O4 | 146.4° | 146.4° |
| H19 | C11 | C13 | O5 | 165.9° | 165.9° |
| H19 | C11 | C13 | C14 | 44.1° | 44.1° |
| H19 | C11 | C13 | H20 | 73.9° | 73.9° |
| H19 | C11 | N4 | C5 | 47.6° | 47.6° |
| H19 | C11 | C12 | N5 | 31.7° | 31.7° |
| O4 | C12 | N5 | C15 | 6.1° | 6.1° |
| O4 | C12 | N5 | H24 | 173.9° | 173.9° |
| O5 | C13 | C14 | H20 | 121.6° | 121.6° |
| O5 | C13 | C14 | H21 | 58.9° | 58.9° |
| O5 | C13 | C14 | H22 | 178.9° | 178.9° |
| O5 | C13 | C14 | H23 | 61.1° | 61.1° |
| C13 | O5 | C44 | C43 | 168.3° | 168.3° |
| C13 | O5 | C44 | O13 | 12.9° | 12.9° |
| C13 | C14 | H21 | H22 | 120.0° | 120.0° |
| C13 | C14 | H21 | H23 | 120.0° | 120.0° |
| C13 | C14 | H22 | H23 | 120.0° | 120.0° |
| C14 | C13 | O5 | C44 | 138.9° | 138.9° |
| H20 | C13 | C14 | H21 | 62.8° | 62.8° |
| H20 | C13 | C14 | H22 | 57.3° | 57.2° |
| H20 | C13 | C14 | H23 | 177.2° | 177.2° |
| H20 | C13 | O5 | C44 | 17.9° | 17.9° |
| H21 | C14 | H22 | H23 | 120.0° | 120.0° |
| C15 | N5 | H24 | C12 | 180.0° | 180.0° |
| N5 | C15 | C16 | C18 | 179.6° | 179.6° |
| N5 | C15 | C16 | C17 | 1.8° | 1.8° |
| N5 | C15 | C16 | H25 | 178.2° | 178.2° |
| N5 | C15 | C18 | O6 | 175.0° | 175.0° |
| N5 | C15 | C18 | N6 | 6.4° | 6.4° |
| H24 | N5 | C15 | C16 | 68.0° | 68.0° |
| H24 | N5 | C15 | C18 | 112.4° | 112.4° |
| C15 | C16 | C17 | H25 | 180.0° | 180.0° |
| C15 | C16 | C17 | H26 | 180.0° | 180.0° |
| C15 | C16 | C17 | H27 | 60.0° | 60.0° |
| C15 | C16 | C17 | H28 | 60.0° | 60.0° |
| C16 | C15 | C18 | O6 | 4.5° | 4.5° |
| C16 | C15 | N5 | C12 | 111.9° | 111.9° |
| C16 | C15 | C18 | N6 | 174.1° | 174.1° |
| C18 | C15 | C16 | C17 | 177.8° | 177.8° |
| C18 | C15 | C16 | H25 | 2.2° | 2.2° |
| C15 | C18 | O6 | N6 | 178.5° | 178.5° |
| C15 | C18 | N6 | C19 | 178.7° | 178.7° |
| C15 | C18 | N6 | H29 | 1.3° | 1.3° |
| C18 | C15 | N5 | C12 | 67.6° | 67.6° |
| C16 | C17 | H26 | H27 | 120.0° | 120.0° |
| C16 | C17 | H26 | H28 | 120.0° | 120.0° |
| C16 | C17 | H27 | H28 | 120.0° | 120.0° |
| H25 | C16 | C17 | H26 | 0.0° | 0.0° |
| H25 | C16 | C17 | H27 | 120.0° | 120.0° |
| H25 | C16 | C17 | H28 | 120.0° | 120.0° |
| H26 | C17 | H27 | H28 | 120.0° | 120.0° |
| O6 | C18 | N6 | C19 | 0.1° | 0.1° |
| O6 | C18 | N6 | H29 | 179.9° | 179.9° |
| C19 | N6 | H29 | C18 | 180.0° | 180.0° |
| N6 | C19 | C20 | C21 | 124.3° | 124.3° |
| N6 | C19 | C20 | H30 | 118.0° | 118.0° |
| N6 | C19 | C21 | H30 | 116.8° | 116.8° |
| N6 | C19 | C20 | O7 | 29.3° | 29.3° |
| N6 | C19 | C21 | C22 | 177.4° | 177.4° |
| N6 | C19 | C21 | H31 | 63.1° | 63.1° |
| N6 | C19 | C21 | H32 | 57.8° | 57.8° |
| N6 | C19 | C20 | N7 | 152.2° | 152.2° |
| H29 | N6 | C19 | C20 | 83.5° | 83.5° |
| H29 | N6 | C19 | C21 | 43.2° | 43.2° |
| H29 | N6 | C19 | H30 | 159.3° | 159.3° |
| C20 | C19 | C21 | H30 | 117.4° | 117.4° |
| C19 | C20 | O7 | N7 | 178.4° | 178.4° |
| C20 | C19 | C21 | C22 | 51.6° | 51.6° |
| C20 | C19 | C21 | H31 | 171.1° | 171.1° |
| C20 | C19 | C21 | H32 | 68.0° | 68.0° |
| C19 | C20 | N7 | C24 | 169.0° | 169.0° |
| C20 | C19 | N6 | C18 | 96.5° | 96.5° |
| C19 | C20 | N7 | C23 | 14.7° | 14.7° |
| C21 | C19 | C20 | O7 | 153.6° | 153.6° |
| C19 | C21 | C22 | H31 | 119.5° | 119.5° |
| C19 | C21 | C22 | H32 | 119.6° | 119.6° |
| C19 | C21 | H31 | H32 | 121.3° | 121.3° |
| C19 | C21 | C22 | C23 | 64.8° | 64.8° |
| C19 | C21 | C22 | H33 | 55.5° | 55.5° |
| C19 | C21 | C22 | H34 | 174.9° | 174.9° |
| C21 | C19 | N6 | C18 | 136.8° | 136.8° |
| C21 | C19 | C20 | N7 | 27.9° | 27.9° |
| H30 | C19 | C20 | O7 | 88.7° | 88.7° |
| H30 | C19 | C21 | C22 | 65.9° | 65.9° |
| H30 | C19 | C21 | H31 | 53.7° | 53.7° |
| H30 | C19 | C21 | H32 | 174.6° | 174.6° |
| H30 | C19 | N6 | C18 | 20.7° | 20.7° |
| H30 | C19 | C20 | N7 | 89.7° | 89.7° |
| O7 | C20 | N7 | C24 | 9.5° | 9.5° |
| O7 | C20 | N7 | C23 | 166.8° | 166.8° |
| C22 | C21 | H31 | H32 | 121.3° | 121.3° |
| C21 | C22 | C23 | H33 | 120.3° | 120.3° |
| C21 | C22 | C23 | H34 | 120.3° | 120.3° |
| C21 | C22 | H33 | H34 | 119.1° | 119.1° |
| C21 | C22 | C23 | O8 | 57.9° | 57.9° |
| C21 | C22 | C23 | H35 | 177.0° | 177.0° |
| C21 | C22 | C23 | N7 | 51.8° | 51.8° |
| H31 | C21 | C22 | C23 | 175.6° | 175.6° |
| H31 | C21 | C22 | H33 | 64.1° | 64.1° |
| H31 | C21 | C22 | H34 | 55.3° | 55.3° |
| H32 | C21 | C22 | C23 | 54.7° | 54.7° |
| H32 | C21 | C22 | H33 | 175.0° | 175.0° |
| H32 | C21 | C22 | H34 | 65.6° | 65.6° |
| C23 | C22 | H33 | H34 | 119.0° | 119.0° |
| C22 | C23 | O8 | H35 | 124.2° | 124.2° |
| C22 | C23 | O8 | N7 | 117.8° | 117.8° |
| C22 | C23 | H35 | N7 | 125.6° | 125.6° |
| C22 | C23 | O8 | H36 | 180.0° | 180.0° |
| C22 | C23 | N7 | C24 | 157.5° | 157.5° |
| C22 | C23 | N7 | C20 | 26.3° | 26.3° |
| H33 | C22 | C23 | O8 | 178.2° | 178.2° |
| H33 | C22 | C23 | H35 | 56.7° | 56.7° |
| H33 | C22 | C23 | N7 | 68.5° | 68.5° |
| H34 | C22 | C23 | O8 | 62.4° | 62.4° |
| H34 | C22 | C23 | H35 | 62.6° | 62.6° |
| H34 | C22 | C23 | N7 | 172.1° | 172.1° |
| O8 | C23 | H35 | N7 | 110.6° | 110.6° |
| O8 | C23 | N7 | C24 | 86.2° | 86.2° |
| O8 | C23 | N7 | C20 | 90.0° | 90.0° |
| H35 | C23 | O8 | H36 | 55.8° | 55.8° |
| H35 | C23 | N7 | C24 | 32.6° | 32.6° |
| H35 | C23 | N7 | C20 | 151.2° | 151.2° |
| H36 | O8 | C23 | N7 | 62.2° | 62.2° |
| N7 | C24 | C25 | C26 | 121.4° | 121.4° |
| N7 | C24 | C25 | H37 | 121.3° | 121.3° |
| N7 | C24 | C26 | H37 | 121.1° | 121.1° |
| N7 | C24 | C25 | O9 | 92.0° | 92.0° |
| N7 | C24 | C26 | C27 | 57.6° | 57.6° |
| N7 | C24 | C26 | H38 | 62.9° | 62.9° |
| N7 | C24 | C26 | H39 | 178.0° | 178.0° |
| C24 | N7 | C20 | C23 | 176.2° | 176.2° |
| N7 | C24 | C25 | N8 | 86.1° | 86.1° |
| C25 | C24 | C26 | H37 | 117.2° | 117.2° |
| C24 | C25 | O9 | N8 | 178.1° | 178.1° |
| C25 | C24 | C26 | C27 | 179.2° | 179.2° |
| C25 | C24 | C26 | H38 | 58.8° | 58.8° |
| C25 | C24 | C26 | H39 | 60.4° | 60.4° |
| C24 | C25 | N8 | C33 | 0.7° | 0.7° |
| C24 | C25 | N8 | C35 | 176.8° | 176.8° |
| C25 | C24 | N7 | C20 | 128.3° | 128.3° |
| C25 | C24 | N7 | C23 | 48.2° | 48.2° |
| C26 | C24 | C25 | O9 | 29.4° | 29.4° |
| C24 | C26 | C27 | H38 | 120.4° | 120.4° |
| C24 | C26 | C27 | H39 | 120.4° | 120.4° |
| C24 | C26 | H38 | H39 | 118.6° | 118.6° |
| C24 | C26 | C27 | C28 | 95.4° | 95.4° |
| C24 | C26 | C27 | C29 | 83.0° | 83.0° |
| C26 | C24 | N7 | C20 | 113.0° | 113.0° |
| C26 | C24 | C25 | N8 | 152.5° | 152.5° |
| C26 | C24 | N7 | C23 | 70.6° | 70.6° |
| H37 | C24 | C25 | O9 | 146.8° | 146.8° |
| H37 | C24 | C26 | C27 | 63.6° | 63.6° |
| H37 | C24 | C26 | H38 | 176.0° | 176.0° |
| H37 | C24 | C26 | H39 | 56.9° | 56.9° |
| H37 | C24 | N7 | C20 | 7.6° | 7.6° |
| H37 | C24 | C25 | N8 | 35.2° | 35.2° |
| H37 | C24 | N7 | C23 | 168.8° | 168.8° |
| O9 | C25 | N8 | C33 | 177.4° | 177.4° |
| O9 | C25 | N8 | C35 | 1.2° | 1.2° |
| C27 | C26 | H38 | H39 | 118.6° | 118.6° |
| C26 | C27 | C28 | C29 | 178.3° | 178.3° |
| C26 | C27 | C28 | C30 | 176.7° | 176.7° |
| C26 | C27 | C28 | H40 | 3.3° | 3.3° |
| C26 | C27 | C29 | C31 | 177.0° | 177.0° |
| C26 | C27 | C29 | H41 | 3.0° | 3.0° |
| H38 | C26 | C27 | C28 | 25.1° | 25.1° |
| H38 | C26 | C27 | C29 | 156.6° | 156.6° |
| H39 | C26 | C27 | C28 | 144.2° | 144.2° |
| H39 | C26 | C27 | C29 | 37.4° | 37.4° |
| C27 | C28 | C30 | H40 | 180.0° | 180.0° |
| C28 | C27 | C29 | C31 | 1.3° | 1.3° |
| C28 | C27 | C29 | H41 | 178.7° | 178.7° |
| C27 | C28 | C30 | C32 | 1.1° | 1.1° |
| C27 | C28 | C30 | H42 | 178.9° | 178.9° |
| C29 | C27 | C28 | C30 | 1.6° | 1.6° |
| C29 | C27 | C28 | H40 | 178.5° | 178.5° |
| C27 | C29 | C31 | H41 | 180.0° | 180.0° |
| C27 | C29 | C31 | C32 | 0.5° | 0.5° |
| C27 | C29 | C31 | H43 | 179.5° | 179.5° |
| C28 | C30 | C32 | H42 | 180.0° | 180.0° |
| C28 | C30 | C32 | C31 | 0.4° | 0.4° |
| C28 | C30 | C32 | H44 | 179.6° | 179.6° |
| H40 | C28 | C30 | C32 | 178.9° | 178.9° |
| H40 | C28 | C30 | H42 | 1.1° | 1.1° |
| C29 | C31 | C32 | C30 | 0.1° | 0.1° |
| C29 | C31 | C32 | H43 | 180.0° | 180.0° |
| C29 | C31 | C32 | H44 | 179.9° | 179.9° |
| H41 | C29 | C31 | C32 | 179.5° | 179.5° |
| H41 | C29 | C31 | H43 | 0.5° | 0.5° |
| C30 | C32 | C31 | H44 | 180.0° | 180.0° |
| C30 | C32 | C31 | H43 | 179.9° | 179.9° |
| H42 | C30 | C32 | C31 | 179.6° | 179.6° |
| H42 | C30 | C32 | H44 | 0.4° | 0.4° |
| H43 | C31 | C32 | H44 | 0.1° | 0.1° |
| C33 | N8 | C35 | C25 | 176.5° | 176.5° |
| N8 | C33 | C34 | C36 | 128.2° | 128.2° |
| N8 | C33 | C34 | H45 | 119.5° | 119.5° |
| N8 | C33 | C36 | H45 | 113.4° | 113.4° |
| N8 | C33 | C34 | O10 | 144.0° | 144.0° |
| C33 | N8 | C35 | H46 | 180.0° | 180.0° |
| C33 | N8 | C35 | H47 | 60.0° | 60.0° |
| C33 | N8 | C35 | H48 | 60.0° | 60.0° |
| N8 | C33 | C36 | C37 | 80.7° | 80.7° |
| N8 | C33 | C36 | H49 | 39.3° | 39.3° |
| N8 | C33 | C36 | H50 | 159.3° | 159.3° |
| N8 | C33 | C34 | N9 | 39.5° | 39.5° |
| C35 | N8 | C33 | C34 | 54.3° | 54.3° |
| C35 | N8 | C33 | C36 | 73.5° | 73.5° |
| C35 | N8 | C33 | H45 | 173.4° | 173.4° |
| N8 | C35 | H46 | H47 | 120.0° | 120.0° |
| N8 | C35 | H46 | H48 | 120.0° | 120.0° |
| N8 | C35 | H47 | H48 | 120.0° | 120.0° |
| C34 | C33 | C36 | H45 | 112.3° | 112.3° |
| C33 | C34 | O10 | N9 | 175.9° | 175.9° |
| C34 | C33 | C36 | C37 | 145.1° | 145.1° |
| C34 | C33 | C36 | H49 | 95.0° | 94.9° |
| C34 | C33 | C36 | H50 | 25.1° | 25.1° |
| C33 | C34 | N9 | C43 | 172.0° | 172.0° |
| C33 | C34 | N9 | H55 | 7.9° | 7.9° |
| C34 | C33 | N8 | C25 | 122.2° | 122.2° |
| C36 | C33 | C34 | O10 | 15.8° | 15.8° |
| C33 | C36 | C37 | H49 | 120.0° | 120.0° |
| C33 | C36 | C37 | H50 | 120.0° | 120.0° |
| C33 | C36 | H49 | H50 | 120.1° | 120.1° |
| C33 | C36 | C37 | C38 | 73.4° | 73.4° |
| C33 | C36 | C37 | C39 | 104.3° | 104.3° |
| C36 | C33 | N8 | C25 | 110.1° | 110.1° |
| C36 | C33 | C34 | N9 | 167.7° | 167.7° |
| H45 | C33 | C34 | O10 | 96.5° | 96.5° |
| H45 | C33 | C36 | C37 | 32.7° | 32.7° |
| H45 | C33 | C36 | H49 | 152.7° | 152.7° |
| H45 | C33 | C36 | H50 | 87.2° | 87.2° |
| H45 | C33 | N8 | C25 | 3.0° | 3.0° |
| H45 | C33 | C34 | N9 | 79.9° | 79.9° |
| O10 | C34 | N9 | C43 | 4.1° | 4.1° |
| O10 | C34 | N9 | H55 | 175.9° | 175.9° |
| H46 | C35 | H47 | H48 | 120.0° | 120.0° |
| H46 | C35 | N8 | C25 | 3.6° | 3.5° |
| H47 | C35 | N8 | C25 | 116.5° | 116.5° |
| H48 | C35 | N8 | C25 | 123.5° | 123.5° |
| C37 | C36 | H49 | H50 | 120.1° | 120.1° |
| C36 | C37 | C38 | C39 | 177.6° | 177.6° |
| C36 | C37 | C38 | C40 | 179.0° | 179.0° |
| C36 | C37 | C39 | C41 | 178.6° | 178.6° |
| C36 | C37 | C39 | H51 | 1.4° | 1.4° |
| C36 | C37 | C38 | N3 | 3.1° | 3.1° |
| H49 | C36 | C37 | C38 | 166.6° | 166.6° |
| H49 | C36 | C37 | C39 | 15.7° | 15.7° |
| H50 | C36 | C37 | C38 | 46.5° | 46.5° |
| H50 | C36 | C37 | C39 | 135.7° | 135.7° |
| C37 | C38 | C40 | N3 | 176.2° | 176.2° |
| C38 | C37 | C39 | C41 | 1.0° | 1.0° |
| C38 | C37 | C39 | H51 | 179.0° | 179.0° |
| C37 | C38 | C40 | C42 | 1.9° | 1.9° |
| C37 | C38 | C40 | H52 | 178.1° | 178.1° |
| C39 | C37 | C38 | C40 | 1.4° | 1.4° |
| C37 | C39 | C41 | H51 | 180.0° | 180.0° |
| C37 | C39 | C41 | C42 | 1.1° | 1.1° |
| C37 | C39 | C41 | O11 | 180.0° | 180.0° |
| C39 | C37 | C38 | N3 | 174.6° | 174.6° |
| C38 | C40 | C42 | H52 | 180.0° | 180.0° |
| C38 | C40 | C42 | C41 | 2.0° | 2.0° |
| C38 | C40 | C42 | O12 | 176.4° | 176.4° |
| C39 | C41 | C42 | C40 | 1.7° | 1.7° |
| C39 | C41 | C42 | O11 | 178.9° | 178.9° |
| C39 | C41 | C42 | O12 | 176.7° | 176.7° |
| C39 | C41 | O11 | H53 | 180.0° | 180.0° |
| H51 | C39 | C41 | C42 | 178.9° | 178.9° |
| H51 | C39 | C41 | O11 | 0.0° | 0.0° |
| C40 | C42 | C41 | O12 | 178.4° | 178.4° |
| C40 | C42 | C41 | O11 | 179.5° | 179.5° |
| C40 | C42 | O12 | H54 | 180.0° | 180.0° |
| C42 | C40 | C38 | N3 | 174.4° | 174.4° |
| H52 | C40 | C42 | C41 | 178.0° | 178.0° |
| H52 | C40 | C42 | O12 | 3.6° | 3.6° |
| H52 | C40 | C38 | N3 | 5.6° | 5.6° |
| C42 | C41 | O11 | H53 | 1.1° | 1.1° |
| C41 | C42 | O12 | H54 | 1.5° | 1.5° |
| O11 | C41 | C42 | O12 | 2.1° | 2.1° |
| C43 | N9 | H55 | C34 | 180.0° | 180.0° |
| N9 | C43 | C44 | C45 | 123.6° | 123.6° |
| N9 | C43 | C44 | H56 | 120.5° | 120.5° |
| N9 | C43 | C45 | H56 | 120.4° | 120.4° |
| N9 | C43 | C44 | O13 | 39.3° | 39.3° |
| N9 | C43 | C45 | C46 | 149.6° | 149.6° |
| N9 | C43 | C45 | C47 | 23.9° | 23.9° |
| N9 | C43 | C45 | H57 | 93.6° | 93.6° |
| N9 | C43 | C44 | O5 | 139.5° | 139.5° |
| H55 | N9 | C43 | C44 | 93.8° | 93.8° |
| H55 | N9 | C43 | C45 | 26.3° | 26.3° |
| H55 | N9 | C43 | H56 | 146.3° | 146.3° |
| C44 | C43 | C45 | H56 | 115.6° | 115.6° |
| C43 | C44 | O13 | O5 | 178.7° | 178.7° |
| C44 | C43 | C45 | C46 | 86.5° | 86.5° |
| C44 | C43 | C45 | C47 | 147.9° | 147.9° |
| C44 | C43 | C45 | H57 | 30.4° | 30.4° |
| C44 | C43 | N9 | C34 | 86.1° | 86.1° |
| C45 | C43 | C44 | O13 | 84.3° | 84.3° |
| C43 | C45 | C46 | C47 | 125.0° | 125.0° |
| C43 | C45 | C46 | H57 | 116.9° | 116.9° |
| C43 | C45 | C47 | H57 | 117.3° | 117.3° |
| C43 | C45 | C46 | H58 | 180.0° | 180.0° |
| C43 | C45 | C46 | H59 | 60.0° | 60.0° |
| C43 | C45 | C46 | H60 | 60.0° | 60.0° |
| C43 | C45 | C47 | H61 | 180.0° | 180.0° |
| C43 | C45 | C47 | H62 | 60.0° | 60.0° |
| C43 | C45 | C47 | H63 | 60.0° | 60.0° |
| C45 | C43 | N9 | C34 | 153.7° | 153.7° |
| C45 | C43 | C44 | O5 | 96.9° | 96.9° |
| H56 | C43 | C44 | O13 | 159.9° | 159.9° |
| H56 | C43 | C45 | C46 | 29.2° | 29.2° |
| H56 | C43 | C45 | C47 | 96.5° | 96.5° |
| H56 | C43 | C45 | H57 | 146.0° | 146.0° |
| H56 | C43 | N9 | C34 | 33.8° | 33.8° |
| H56 | C43 | C44 | O5 | 19.0° | 19.0° |
| C46 | C45 | C47 | H57 | 117.9° | 117.9° |
| C45 | C46 | H58 | H59 | 120.0° | 120.0° |
| C45 | C46 | H58 | H60 | 120.0° | 120.0° |
| C45 | C46 | H59 | H60 | 120.0° | 120.0° |
| C46 | C45 | C47 | H61 | 55.3° | 55.3° |
| C46 | C45 | C47 | H62 | 64.8° | 64.8° |
| C46 | C45 | C47 | H63 | 175.2° | 175.2° |
| C47 | C45 | C46 | H58 | 55.0° | 55.0° |
| C47 | C45 | C46 | H59 | 175.0° | 175.0° |
| C47 | C45 | C46 | H60 | 65.0° | 65.0° |
| C45 | C47 | H61 | H62 | 120.0° | 120.0° |
| C45 | C47 | H61 | H63 | 120.0° | 120.0° |
| C45 | C47 | H62 | H63 | 120.0° | 120.0° |
| H57 | C45 | C46 | H58 | 63.1° | 63.1° |
| H57 | C45 | C46 | H59 | 56.9° | 56.9° |
| H57 | C45 | C46 | H60 | 176.9° | 176.9° |
| H57 | C45 | C47 | H61 | 62.7° | 62.7° |
| H57 | C45 | C47 | H62 | 177.3° | 177.3° |
| H57 | C45 | C47 | H63 | 57.3° | 57.3° |
| H58 | C46 | H59 | H60 | 120.0° | 120.0° |
| H61 | C47 | H62 | H63 | 120.0° | 120.0° |
