PRD_000482
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | O2 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O3 | sing | 1.43Å | 1.44Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O4 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| N2 | C10 | sing | 1.48Å | 1.46Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | O5 | sing | 1.45Å | 1.42Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| N3 | C16 | sing | 1.48Å | 1.46Å | |
| N3 | C20 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | O6 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| O7 | C17 | sing | 1.43Å | 1.53Å | |
| O7 | C18 | sing | 1.43Å | 1.67Å | |
| C17 | C19 | sing | 1.53Å | 1.59Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| N4 | C21 | sing | 1.35Å | 1.34Å | |
| N4 | C23 | sing | 1.47Å | 1.46Å | |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| C21 | O8 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C26 | sing | 1.51Å | 1.49Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | O9 | sing | 1.45Å | 1.42Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | O10 | doub | 1.21Å | 1.22Å | |
| C27 | O11 | doub | 1.21Å | 1.22Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C28 | O12 | sing | 1.45Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | H48 | sing | 1.08Å | 1.08Å | |
| C32 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | H49 | sing | 1.08Å | 1.08Å | |
| C33 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | H50 | sing | 1.08Å | 1.08Å | |
| C34 | H51 | sing | 1.08Å | 1.08Å | |
| C35 | H52 | sing | 1.08Å | 1.08Å | |
| N5 | C36 | sing | 1.46Å | 1.46Å | |
| N5 | C37 | sing | 1.41Å | 1.35Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | doub | 1.33Å | 1.33Å | |
| C37 | C39 | sing | 1.48Å | 1.46Å | |
| C38 | H56 | sing | 1.08Å | 1.08Å | |
| C38 | H57 | sing | 1.08Å | 1.08Å | |
| C39 | O13 | doub | 1.22Å | 1.22Å | |
| N6 | C40 | sing | 1.51Å | 1.46Å | |
| N6 | H58 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.51Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | H59 | sing | 1.09Å | 1.10Å | |
| C41 | O14 | doub | 1.21Å | 1.23Å | |
| C42 | H60 | sing | 1.09Å | 1.10Å | |
| C42 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| N7 | C43 | sing | 1.47Å | 1.47Å | |
| N7 | C44 | sing | 1.48Å | 1.47Å | |
| C43 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C44 | C46 | sing | 1.51Å | 1.51Å | |
| C44 | H66 | sing | 1.09Å | 1.10Å | |
| C45 | H67 | sing | 1.09Å | 1.10Å | |
| C45 | H68 | sing | 1.09Å | 1.10Å | |
| C45 | H69 | sing | 1.09Å | 1.10Å | |
| C46 | O15 | doub | 1.21Å | 1.22Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C3 | O5 | sing | 1.34Å | 1.45Å | |
| C9 | N3 | sing | 1.36Å | 1.34Å | |
| C15 | O9 | sing | 1.34Å | 1.45Å | |
| C26 | O12 | sing | 1.34Å | 1.46Å | |
| C27 | N5 | sing | 1.36Å | 1.36Å | |
| C39 | N6 | sing | 1.36Å | 1.34Å | |
| C41 | N7 | sing | 1.36Å | 1.35Å | |
| C46 | N2 | sing | 1.37Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.5° | 120.0° |
| O1 | C1 | N1 | 122.9° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 115.6° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.4° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| O2 | C3 | C4 | 122.2° | 120.0° |
| O2 | C3 | O5 | 121.0° | 120.0° |
| C3 | C4 | N1 | 113.3° | 109.5° |
| C3 | C4 | C5 | 107.2° | 109.5° |
| C3 | C4 | H5 | 108.9° | 109.5° |
| C4 | C3 | O5 | 116.8° | 120.0° |
| C4 | N1 | H4 | 120.5° | 120.0° |
| N1 | C4 | C5 | 109.7° | 109.4° |
| N1 | C4 | H5 | 109.3° | 109.4° |
| C4 | N1 | C1 | 119.1° | 120.0° |
| H4 | N1 | C1 | 120.5° | 120.0° |
| C5 | C4 | H5 | 108.4° | 109.5° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C4 | C5 | O3 | 110.4° | 109.5° |
| C4 | C5 | H6 | 106.6° | 109.4° |
| C6 | C5 | O3 | 114.4° | 109.5° |
| C6 | C5 | H6 | 106.4° | 109.4° |
| C5 | C6 | C7 | 108.5° | 109.5° |
| C5 | C6 | C8 | 114.3° | 109.5° |
| C5 | C6 | H7 | 107.7° | 109.5° |
| O3 | C5 | H6 | 107.6° | 109.5° |
| C5 | O3 | H8 | 109.5° | 114.0° |
| C7 | C6 | C8 | 110.8° | 109.5° |
| C7 | C6 | H7 | 107.6° | 109.4° |
| C6 | C7 | H9 | 109.5° | 109.4° |
| C6 | C7 | H10 | 109.5° | 109.4° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C8 | C6 | H7 | 107.7° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.4° | 109.4° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| O4 | C9 | C10 | 117.7° | 120.5° |
| O4 | C9 | N3 | 119.5° | 120.6° |
| C9 | C10 | N2 | 112.1° | 108.5° |
| C9 | C10 | C11 | 108.7° | 109.7° |
| C9 | C10 | H16 | 110.9° | 109.7° |
| C10 | C9 | N3 | 122.9° | 118.9° |
| C10 | N2 | H15 | 117.8° | 122.4° |
| N2 | C10 | C11 | 102.6° | 109.6° |
| N2 | C10 | H16 | 111.6° | 109.6° |
| C10 | N2 | C46 | 124.3° | 115.3° |
| H15 | N2 | C46 | 117.9° | 122.4° |
| C11 | C10 | H16 | 110.5° | 109.8° |
| C10 | C11 | C12 | 119.7° | 109.5° |
| C10 | C11 | O5 | 107.6° | 109.4° |
| C10 | C11 | H17 | 107.3° | 109.5° |
| C12 | C11 | O5 | 105.6° | 109.5° |
| C12 | C11 | H17 | 107.4° | 109.5° |
| C11 | C12 | C13 | 117.3° | 109.5° |
| C11 | C12 | C14 | 107.8° | 109.4° |
| C11 | C12 | H18 | 106.3° | 109.4° |
| O5 | C11 | H17 | 108.9° | 109.4° |
| C11 | O5 | C3 | 114.5° | 116.9° |
| C13 | C12 | C14 | 111.9° | 109.5° |
| C13 | C12 | H18 | 106.4° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.5° |
| C12 | C13 | H20 | 109.5° | 109.5° |
| C12 | C13 | H21 | 109.5° | 109.4° |
| C14 | C12 | H18 | 106.6° | 109.5° |
| C12 | C14 | H22 | 109.5° | 109.5° |
| C12 | C14 | H23 | 109.5° | 109.5° |
| C12 | C14 | H24 | 109.5° | 109.4° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.4° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H22 | C14 | H24 | 109.5° | 109.4° |
| H23 | C14 | H24 | 109.4° | 109.5° |
| C16 | N3 | C20 | 116.7° | 121.7° |
| N3 | C16 | C15 | 109.4° | 108.8° |
| N3 | C16 | C17 | 110.7° | 109.6° |
| N3 | C16 | H25 | 109.3° | 109.6° |
| C16 | N3 | C9 | 122.8° | 116.5° |
| N3 | C20 | H33 | 109.5° | 109.4° |
| N3 | C20 | H34 | 109.5° | 109.5° |
| N3 | C20 | H35 | 109.5° | 109.5° |
| C20 | N3 | C9 | 120.5° | 121.8° |
| C16 | C15 | O6 | 121.2° | 120.1° |
| C15 | C16 | C17 | 110.4° | 109.6° |
| C15 | C16 | H25 | 108.7° | 109.6° |
| C16 | C15 | O9 | 119.3° | 119.9° |
| O6 | C15 | O9 | 119.5° | 120.0° |
| C17 | C16 | H25 | 108.3° | 109.7° |
| C16 | C17 | O7 | 111.3° | 109.5° |
| C16 | C17 | C19 | 107.9° | 109.5° |
| C16 | C17 | H26 | 109.2° | 109.4° |
| C17 | O7 | C18 | 103.1° | 114.0° |
| O7 | C17 | C19 | 110.4° | 109.5° |
| O7 | C17 | H26 | 109.4° | 109.5° |
| O7 | C18 | H27 | 109.5° | 109.5° |
| O7 | C18 | H28 | 109.4° | 109.5° |
| O7 | C18 | H29 | 109.5° | 109.4° |
| C19 | C17 | H26 | 108.6° | 109.5° |
| C17 | C19 | H30 | 109.5° | 109.5° |
| C17 | C19 | H31 | 109.5° | 109.5° |
| C17 | C19 | H32 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H32 | 109.5° | 109.4° |
| H31 | C19 | H32 | 109.4° | 109.4° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H33 | C20 | H35 | 109.5° | 109.4° |
| H34 | C20 | H35 | 109.5° | 109.5° |
| C21 | N4 | C23 | 123.0° | 120.0° |
| C21 | N4 | H36 | 118.5° | 120.0° |
| N4 | C21 | O8 | 123.4° | 120.0° |
| N4 | C21 | C22 | 115.6° | 120.0° |
| C23 | N4 | H36 | 118.5° | 120.0° |
| N4 | C23 | C24 | 106.7° | 109.5° |
| N4 | C23 | C26 | 111.4° | 109.5° |
| N4 | C23 | H40 | 110.6° | 109.5° |
| O8 | C21 | C22 | 121.0° | 120.0° |
| C21 | C22 | H37 | 109.5° | 109.5° |
| C21 | C22 | H38 | 109.5° | 109.5° |
| C21 | C22 | H39 | 109.5° | 109.5° |
| H37 | C22 | H38 | 109.5° | 109.5° |
| H37 | C22 | H39 | 109.4° | 109.4° |
| H38 | C22 | H39 | 109.4° | 109.5° |
| C24 | C23 | C26 | 108.3° | 109.2° |
| C24 | C23 | H40 | 109.6° | 109.6° |
| C23 | C24 | O9 | 110.2° | 109.6° |
| C23 | C24 | C25 | 111.6° | 109.5° |
| C23 | C24 | H41 | 108.3° | 109.5° |
| C26 | C23 | H40 | 110.1° | 109.6° |
| C23 | C26 | O10 | 118.6° | 120.0° |
| C23 | C26 | O12 | 120.0° | 120.0° |
| O9 | C24 | C25 | 108.5° | 109.4° |
| O9 | C24 | H41 | 109.7° | 109.4° |
| C24 | O9 | C15 | 112.7° | 117.1° |
| C25 | C24 | H41 | 108.4° | 109.4° |
| C24 | C25 | H42 | 109.5° | 109.5° |
| C24 | C25 | H43 | 109.5° | 109.5° |
| C24 | C25 | H44 | 109.5° | 109.4° |
| H42 | C25 | H43 | 109.5° | 109.5° |
| H42 | C25 | H44 | 109.5° | 109.5° |
| H43 | C25 | H44 | 109.4° | 109.5° |
| O10 | C26 | O12 | 121.4° | 120.0° |
| O11 | C27 | C28 | 115.5° | 120.5° |
| O11 | C27 | N5 | 122.6° | 120.5° |
| C27 | C28 | O12 | 111.5° | 109.5° |
| C27 | C28 | C29 | 112.9° | 109.4° |
| C27 | C28 | H45 | 107.9° | 109.5° |
| C28 | C27 | N5 | 121.8° | 119.1° |
| O12 | C28 | C29 | 107.4° | 109.5° |
| O12 | C28 | H45 | 109.1° | 109.5° |
| C28 | O12 | C26 | 116.4° | 116.8° |
| C29 | C28 | H45 | 107.9° | 109.5° |
| C28 | C29 | C30 | 107.1° | 109.5° |
| C28 | C29 | H46 | 110.1° | 109.5° |
| C28 | C29 | H47 | 110.1° | 109.5° |
| C30 | C29 | H46 | 110.1° | 109.5° |
| C30 | C29 | H47 | 110.1° | 109.5° |
| C29 | C30 | C32 | 120.0° | 120.0° |
| C29 | C30 | C33 | 120.4° | 120.0° |
| H46 | C29 | H47 | 109.5° | 109.5° |
| C32 | C30 | C33 | 119.6° | 120.0° |
| C30 | C32 | C34 | 120.2° | 120.0° |
| C30 | C32 | H49 | 119.9° | 120.0° |
| C30 | C33 | C35 | 120.1° | 120.0° |
| C30 | C33 | H50 | 119.9° | 120.0° |
| C34 | C31 | C35 | 119.6° | 120.0° |
| C34 | C31 | H48 | 120.2° | 120.0° |
| C31 | C34 | C32 | 120.2° | 120.0° |
| C31 | C34 | H51 | 119.9° | 120.0° |
| C35 | C31 | H48 | 120.2° | 120.0° |
| C31 | C35 | C33 | 120.3° | 120.0° |
| C31 | C35 | H52 | 119.9° | 120.0° |
| C34 | C32 | H49 | 119.9° | 120.0° |
| C32 | C34 | H51 | 119.9° | 120.0° |
| C35 | C33 | H50 | 120.0° | 120.0° |
| C33 | C35 | H52 | 119.8° | 120.0° |
| C36 | N5 | C37 | 116.3° | 121.9° |
| N5 | C36 | H53 | 109.5° | 109.5° |
| N5 | C36 | H54 | 109.5° | 109.5° |
| N5 | C36 | H55 | 109.5° | 109.4° |
| C36 | N5 | C27 | 123.9° | 121.9° |
| N5 | C37 | C38 | 118.1° | 120.5° |
| N5 | C37 | C39 | 123.3° | 118.9° |
| C37 | N5 | C27 | 119.8° | 116.3° |
| H53 | C36 | H54 | 109.5° | 109.5° |
| H53 | C36 | H55 | 109.5° | 109.5° |
| H54 | C36 | H55 | 109.4° | 109.5° |
| C38 | C37 | C39 | 118.5° | 120.6° |
| C37 | C38 | H56 | 120.0° | 120.1° |
| C37 | C38 | H57 | 120.0° | 120.0° |
| C37 | C39 | O13 | 122.3° | 120.5° |
| C37 | C39 | N6 | 111.2° | 119.0° |
| H56 | C38 | H57 | 120.0° | 119.9° |
| O13 | C39 | N6 | 126.5° | 120.5° |
| C40 | N6 | H58 | 115.8° | 121.7° |
| N6 | C40 | C41 | 110.4° | 108.8° |
| N6 | C40 | C42 | 111.0° | 109.6° |
| N6 | C40 | H59 | 108.9° | 109.6° |
| C40 | N6 | C39 | 128.3° | 116.0° |
| H58 | N6 | C39 | 115.9° | 122.4° |
| C41 | C40 | C42 | 110.1° | 110.0° |
| C41 | C40 | H59 | 108.2° | 108.9° |
| C40 | C41 | O14 | 117.7° | 120.4° |
| C40 | C41 | N7 | 121.8° | 119.2° |
| C42 | C40 | H59 | 108.0° | 109.8° |
| C40 | C42 | H60 | 109.5° | 109.5° |
| C40 | C42 | H61 | 109.4° | 109.5° |
| C40 | C42 | H62 | 109.5° | 109.5° |
| O14 | C41 | N7 | 120.5° | 120.4° |
| H60 | C42 | H61 | 109.5° | 109.4° |
| H60 | C42 | H62 | 109.5° | 109.4° |
| H61 | C42 | H62 | 109.5° | 109.5° |
| C43 | N7 | C44 | 117.6° | 121.7° |
| N7 | C43 | H63 | 109.5° | 109.5° |
| N7 | C43 | H64 | 109.5° | 109.5° |
| N7 | C43 | H65 | 109.5° | 109.4° |
| C43 | N7 | C41 | 120.5° | 121.7° |
| N7 | C44 | C45 | 110.0° | 109.6° |
| N7 | C44 | C46 | 115.5° | 108.8° |
| N7 | C44 | H66 | 107.5° | 109.6° |
| C44 | N7 | C41 | 121.8° | 116.5° |
| H63 | C43 | H64 | 109.5° | 109.5° |
| H63 | C43 | H65 | 109.5° | 109.5° |
| H64 | C43 | H65 | 109.5° | 109.5° |
| C45 | C44 | C46 | 109.5° | 109.6° |
| C45 | C44 | H66 | 106.9° | 109.7° |
| C44 | C45 | H67 | 109.5° | 109.5° |
| C44 | C45 | H68 | 109.5° | 109.4° |
| C44 | C45 | H69 | 109.5° | 109.4° |
| C46 | C44 | H66 | 107.0° | 109.6° |
| C44 | C46 | O15 | 120.5° | 120.7° |
| C44 | C46 | N2 | 116.8° | 118.6° |
| H67 | C45 | H68 | 109.4° | 109.5° |
| H67 | C45 | H69 | 109.5° | 109.5° |
| H68 | C45 | H69 | 109.5° | 109.5° |
| O15 | C46 | N2 | 122.7° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 180.0° | 179.6° |
| O1 | C1 | C2 | H1 | 0.0° | 89.9° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.1° |
| O1 | C1 | N1 | C4 | 0.2° | 4.4° |
| O1 | C1 | N1 | H4 | 179.8° | 175.6° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C4 | 179.9° | 175.2° |
| C2 | C1 | N1 | H4 | 0.2° | 4.8° |
| H1 | C2 | H2 | H3 | 119.9° | 120.0° |
| H1 | C2 | C1 | N1 | 180.0° | 89.7° |
| H2 | C2 | C1 | N1 | 59.9° | 30.4° |
| H3 | C2 | C1 | N1 | 60.1° | 150.3° |
| O2 | C3 | C4 | O5 | 178.3° | 179.9° |
| O2 | C3 | C4 | N1 | 3.7° | 19.8° |
| O2 | C3 | C4 | C5 | 124.9° | 100.2° |
| O2 | C3 | C4 | H5 | 118.1° | 139.8° |
| O2 | C3 | O5 | C11 | 45.6° | 4.7° |
| C3 | C4 | N1 | C5 | 119.7° | 120.0° |
| C3 | C4 | N1 | H5 | 121.6° | 120.0° |
| C3 | C4 | N1 | H4 | 78.7° | 26.7° |
| C3 | C4 | C5 | H5 | 117.4° | 120.0° |
| C3 | C4 | C5 | C6 | 149.9° | 60.5° |
| C3 | C4 | C5 | O3 | 82.1° | 179.5° |
| C3 | C4 | C5 | H6 | 34.5° | 59.5° |
| C4 | C3 | O5 | C11 | 136.1° | 175.5° |
| C3 | C4 | N1 | C1 | 101.3° | 153.4° |
| C4 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C4 | C5 | H5 | 119.3° | 120.0° |
| N1 | C4 | C5 | C6 | 86.7° | 179.5° |
| N1 | C4 | C5 | O3 | 41.3° | 59.5° |
| N1 | C4 | C5 | H6 | 157.8° | 60.6° |
| N1 | C4 | C3 | O5 | 178.0° | 160.1° |
| H4 | N1 | C4 | C5 | 41.0° | 93.3° |
| H4 | N1 | C4 | H5 | 159.8° | 146.7° |
| C4 | C5 | C6 | O3 | 125.7° | 120.0° |
| C4 | C5 | C6 | H6 | 115.6° | 119.9° |
| C4 | C5 | O3 | H6 | 115.9° | 120.0° |
| C4 | C5 | C6 | C7 | 103.9° | 59.4° |
| C4 | C5 | C6 | C8 | 131.9° | 179.4° |
| C4 | C5 | C6 | H7 | 12.3° | 60.5° |
| C4 | C5 | O3 | H8 | 180.0° | 56.4° |
| C5 | C4 | N1 | C1 | 139.0° | 86.6° |
| C5 | C4 | C3 | O5 | 56.9° | 79.9° |
| H5 | C4 | C5 | C6 | 32.6° | 59.6° |
| H5 | C4 | C5 | O3 | 160.5° | 60.4° |
| H5 | C4 | C5 | H6 | 82.9° | 179.5° |
| H5 | C4 | N1 | C1 | 20.3° | 33.4° |
| H5 | C4 | C3 | O5 | 60.2° | 40.1° |
| C6 | C5 | O3 | H6 | 118.0° | 120.0° |
| C5 | C6 | C7 | C8 | 126.2° | 120.0° |
| C5 | C6 | C7 | H7 | 116.3° | 120.0° |
| C5 | C6 | C8 | H7 | 119.6° | 120.1° |
| C6 | C5 | O3 | H8 | 54.0° | 63.6° |
| C5 | C6 | C7 | H9 | 180.0° | 64.9° |
| C5 | C6 | C7 | H10 | 60.0° | 175.2° |
| C5 | C6 | C7 | H11 | 60.0° | 55.2° |
| C5 | C6 | C8 | H12 | 180.0° | 60.0° |
| C5 | C6 | C8 | H13 | 60.0° | 180.0° |
| C5 | C6 | C8 | H14 | 60.0° | 60.0° |
| O3 | C5 | C6 | C7 | 130.3° | 60.6° |
| O3 | C5 | C6 | C8 | 6.2° | 59.4° |
| O3 | C5 | C6 | H7 | 113.4° | 179.5° |
| H6 | C5 | C6 | C7 | 11.6° | 179.3° |
| H6 | C5 | C6 | C8 | 112.5° | 60.6° |
| H6 | C5 | C6 | H7 | 127.9° | 59.4° |
| H6 | C5 | O3 | H8 | 64.1° | 176.4° |
| C7 | C6 | C8 | H7 | 117.4° | 119.9° |
| C6 | C7 | H9 | H10 | 120.0° | 119.9° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C7 | C6 | C8 | H12 | 57.1° | 180.0° |
| C7 | C6 | C8 | H13 | 177.1° | 60.0° |
| C7 | C6 | C8 | H14 | 63.0° | 60.0° |
| C8 | C6 | C7 | H9 | 53.8° | 55.2° |
| C8 | C6 | C7 | H10 | 66.2° | 64.8° |
| C8 | C6 | C7 | H11 | 173.8° | 175.2° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 119.9° |
| H7 | C6 | C7 | H9 | 63.7° | 175.1° |
| H7 | C6 | C7 | H10 | 176.4° | 55.2° |
| H7 | C6 | C7 | H11 | 56.4° | 64.8° |
| H7 | C6 | C8 | H12 | 60.3° | 60.1° |
| H7 | C6 | C8 | H13 | 59.7° | 60.0° |
| H7 | C6 | C8 | H14 | 179.6° | 179.9° |
| H9 | C7 | H10 | H11 | 120.0° | 120.1° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| O4 | C9 | C10 | N3 | 178.9° | 179.7° |
| O4 | C9 | C10 | N2 | 91.4° | 17.6° |
| O4 | C9 | C10 | C11 | 21.3° | 102.1° |
| O4 | C9 | C10 | H16 | 143.0° | 137.3° |
| O4 | C9 | N3 | C16 | 179.3° | 0.2° |
| O4 | C9 | N3 | C20 | 1.1° | 179.8° |
| C9 | C10 | N2 | C11 | 116.5° | 119.7° |
| C9 | C10 | N2 | H16 | 125.2° | 119.8° |
| C9 | C10 | N2 | H15 | 28.2° | 65.5° |
| C9 | C10 | C11 | H16 | 122.0° | 120.6° |
| C9 | C10 | C11 | C12 | 71.5° | 171.8° |
| C9 | C10 | C11 | O5 | 168.1° | 68.1° |
| C9 | C10 | C11 | H17 | 51.1° | 51.8° |
| C10 | C9 | N3 | C16 | 1.8° | 180.0° |
| C10 | C9 | N3 | C20 | 179.9° | 0.0° |
| C9 | C10 | N2 | C46 | 151.9° | 114.4° |
| C10 | N2 | H15 | C46 | 180.0° | 179.9° |
| N2 | C10 | C11 | H16 | 119.1° | 120.4° |
| N2 | C10 | C11 | C12 | 169.6° | 69.1° |
| N2 | C10 | C11 | O5 | 49.2° | 50.9° |
| N2 | C10 | C11 | H17 | 67.8° | 170.8° |
| C10 | N2 | C46 | C44 | 179.4° | 179.8° |
| C10 | N2 | C46 | O15 | 0.5° | 0.2° |
| N2 | C10 | C9 | N3 | 89.7° | 162.7° |
| H15 | N2 | C10 | C11 | 88.4° | 54.2° |
| H15 | N2 | C10 | H16 | 153.3° | 174.7° |
| H15 | N2 | C46 | C44 | 0.6° | 0.3° |
| H15 | N2 | C46 | O15 | 179.5° | 179.7° |
| C10 | C11 | C12 | O5 | 121.4° | 120.0° |
| C10 | C11 | C12 | H17 | 122.5° | 120.0° |
| C10 | C11 | O5 | H17 | 116.0° | 120.0° |
| C10 | C11 | C12 | C13 | 5.6° | 176.3° |
| C10 | C11 | C12 | C14 | 132.8° | 56.3° |
| C10 | C11 | C12 | H18 | 113.3° | 63.7° |
| C10 | C11 | O5 | C3 | 119.4° | 154.0° |
| C11 | C10 | C9 | N3 | 157.6° | 77.7° |
| C11 | C10 | N2 | C46 | 91.6° | 125.9° |
| H16 | C10 | C11 | C12 | 50.5° | 51.3° |
| H16 | C10 | C11 | O5 | 69.9° | 171.3° |
| H16 | C10 | C11 | H17 | 173.1° | 68.8° |
| H16 | C10 | C9 | N3 | 35.8° | 42.9° |
| H16 | C10 | N2 | C46 | 26.7° | 5.4° |
| C12 | C11 | O5 | H17 | 115.0° | 120.0° |
| C11 | C12 | C13 | C14 | 125.2° | 120.0° |
| C11 | C12 | C13 | H18 | 118.8° | 120.0° |
| C11 | C12 | C14 | H18 | 113.7° | 119.9° |
| C11 | C12 | C13 | H19 | 180.0° | 54.1° |
| C11 | C12 | C13 | H20 | 60.0° | 174.1° |
| C11 | C12 | C13 | H21 | 60.0° | 65.9° |
| C11 | C12 | C14 | H22 | 180.0° | 60.1° |
| C11 | C12 | C14 | H23 | 60.0° | 60.0° |
| C11 | C12 | C14 | H24 | 60.0° | 180.0° |
| C12 | C11 | O5 | C3 | 111.6° | 85.9° |
| O5 | C11 | C12 | C13 | 127.0° | 63.7° |
| O5 | C11 | C12 | C14 | 105.8° | 176.3° |
| O5 | C11 | C12 | H18 | 8.2° | 56.3° |
| H17 | C11 | C12 | C13 | 117.0° | 56.3° |
| H17 | C11 | C12 | C14 | 10.3° | 63.8° |
| H17 | C11 | C12 | H18 | 124.2° | 176.3° |
| H17 | C11 | O5 | C3 | 3.4° | 34.1° |
| C13 | C12 | C14 | H18 | 115.9° | 120.1° |
| C12 | C13 | H19 | H20 | 120.0° | 120.0° |
| C12 | C13 | H19 | H21 | 120.0° | 120.0° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| C13 | C12 | C14 | H22 | 49.7° | 59.9° |
| C13 | C12 | C14 | H23 | 169.6° | 180.0° |
| C13 | C12 | C14 | H24 | 70.4° | 60.0° |
| C14 | C12 | C13 | H19 | 54.8° | 65.9° |
| C14 | C12 | C13 | H20 | 65.3° | 54.1° |
| C14 | C12 | C13 | H21 | 174.8° | 174.2° |
| C12 | C14 | H22 | H23 | 120.0° | 120.1° |
| C12 | C14 | H22 | H24 | 120.0° | 119.9° |
| C12 | C14 | H23 | H24 | 120.0° | 120.0° |
| H18 | C12 | C13 | H19 | 61.2° | 174.1° |
| H18 | C12 | C13 | H20 | 178.7° | 65.9° |
| H18 | C12 | C13 | H21 | 58.8° | 54.1° |
| H18 | C12 | C14 | H22 | 66.2° | NaN° |
| H18 | C12 | C14 | H23 | 53.8° | 59.9° |
| H18 | C12 | C14 | H24 | 173.7° | 60.1° |
| H19 | C13 | H20 | H21 | 120.0° | 120.0° |
| H22 | C14 | H23 | H24 | 120.0° | 119.9° |
| C16 | N3 | C20 | C9 | 178.3° | 180.0° |
| N3 | C16 | C15 | C17 | 122.1° | 119.8° |
| N3 | C16 | C15 | H25 | 119.3° | 119.8° |
| N3 | C16 | C15 | O6 | 74.9° | 47.4° |
| N3 | C16 | C17 | H25 | 119.8° | 120.4° |
| N3 | C16 | C17 | O7 | 4.0° | 69.2° |
| N3 | C16 | C17 | C19 | 125.3° | 170.8° |
| N3 | C16 | C17 | H26 | 116.9° | 50.8° |
| C16 | N3 | C20 | H33 | 180.0° | 180.0° |
| C16 | N3 | C20 | H34 | 60.0° | 60.0° |
| C16 | N3 | C20 | H35 | 60.0° | 60.0° |
| N3 | C16 | C15 | O9 | 104.1° | 132.6° |
| C20 | N3 | C16 | C15 | 35.4° | 90.6° |
| C20 | N3 | C16 | C17 | 86.5° | 149.6° |
| C20 | N3 | C16 | H25 | 154.3° | 29.2° |
| N3 | C20 | H33 | H34 | 120.0° | 120.0° |
| N3 | C20 | H33 | H35 | 120.0° | 120.0° |
| N3 | C20 | H34 | H35 | 120.0° | 120.1° |
| C16 | C15 | O6 | O9 | 179.0° | 179.9° |
| C15 | C16 | C17 | H25 | 118.9° | 120.3° |
| C15 | C16 | C17 | O7 | 125.2° | 171.5° |
| C15 | C16 | C17 | C19 | 113.5° | 51.6° |
| C15 | C16 | C17 | H26 | 4.4° | 68.5° |
| C16 | C15 | O9 | C24 | 128.7° | 180.0° |
| C15 | C16 | N3 | C9 | 142.9° | 89.4° |
| O6 | C15 | C16 | C17 | 47.2° | 72.4° |
| O6 | C15 | C16 | H25 | 165.9° | 167.2° |
| O6 | C15 | O9 | C24 | 50.3° | 0.1° |
| C16 | C17 | O7 | C19 | 119.8° | 120.0° |
| C16 | C17 | O7 | H26 | 120.8° | 119.9° |
| C16 | C17 | O7 | C18 | 117.6° | 96.6° |
| C16 | C17 | C19 | H26 | 118.2° | 120.0° |
| C16 | C17 | C19 | H30 | 180.0° | 60.0° |
| C16 | C17 | C19 | H31 | 60.0° | 180.0° |
| C16 | C17 | C19 | H32 | 60.0° | 60.0° |
| C17 | C16 | N3 | C9 | 95.2° | 30.4° |
| C17 | C16 | C15 | O9 | 133.9° | 107.6° |
| H25 | C16 | C17 | O7 | 115.8° | 51.2° |
| H25 | C16 | C17 | C19 | 5.5° | 68.8° |
| H25 | C16 | C17 | H26 | 123.3° | 171.2° |
| H25 | C16 | N3 | C9 | 24.0° | 150.9° |
| H25 | C16 | C15 | O9 | 15.2° | 12.8° |
| O7 | C17 | C19 | H26 | 119.9° | 120.0° |
| C17 | O7 | C18 | H27 | 180.0° | 28.6° |
| C17 | O7 | C18 | H28 | 60.0° | 148.6° |
| C17 | O7 | C18 | H29 | 60.0° | 91.4° |
| O7 | C17 | C19 | H30 | 58.1° | 60.0° |
| O7 | C17 | C19 | H31 | 178.2° | 60.1° |
| O7 | C17 | C19 | H32 | 61.9° | 180.0° |
| C18 | O7 | C17 | C19 | 122.6° | 143.4° |
| C18 | O7 | C17 | H26 | 3.1° | 23.3° |
| O7 | C18 | H27 | H28 | 120.0° | 120.0° |
| O7 | C18 | H27 | H29 | 120.0° | 120.0° |
| O7 | C18 | H28 | H29 | 120.0° | 119.9° |
| C17 | C19 | H30 | H31 | 120.0° | 120.0° |
| C17 | C19 | H30 | H32 | 120.0° | 120.0° |
| C17 | C19 | H31 | H32 | 120.0° | 120.0° |
| H26 | C17 | C19 | H30 | 61.8° | 180.0° |
| H26 | C17 | C19 | H31 | 58.2° | 60.0° |
| H26 | C17 | C19 | H32 | 178.2° | 60.0° |
| H27 | C18 | H28 | H29 | 120.0° | 120.0° |
| H30 | C19 | H31 | H32 | 120.0° | 120.0° |
| H33 | C20 | H34 | H35 | 120.0° | 119.9° |
| H33 | C20 | N3 | C9 | 1.7° | 0.0° |
| H34 | C20 | N3 | C9 | 118.3° | 120.0° |
| H35 | C20 | N3 | C9 | 121.7° | 120.0° |
| C21 | N4 | C23 | H36 | 180.0° | 180.0° |
| N4 | C21 | O8 | C22 | 179.8° | 179.9° |
| N4 | C21 | C22 | H37 | 179.9° | 0.1° |
| N4 | C21 | C22 | H38 | 60.1° | 120.0° |
| N4 | C21 | C22 | H39 | 59.8° | 120.0° |
| C21 | N4 | C23 | C24 | 150.2° | 155.0° |
| C21 | N4 | C23 | C26 | 91.8° | 85.2° |
| C21 | N4 | C23 | H40 | 31.0° | 34.9° |
| C23 | N4 | C21 | O8 | 0.0° | 0.0° |
| C23 | N4 | C21 | C22 | 179.9° | 180.0° |
| N4 | C23 | C24 | C26 | 120.0° | 119.9° |
| N4 | C23 | C24 | H40 | 119.8° | 120.1° |
| N4 | C23 | C26 | H40 | 123.0° | 120.1° |
| N4 | C23 | C24 | O9 | 48.3° | 93.1° |
| N4 | C23 | C24 | C25 | 72.4° | 146.9° |
| N4 | C23 | C24 | H41 | 168.3° | 26.9° |
| N4 | C23 | C26 | O10 | 42.6° | 146.4° |
| N4 | C23 | C26 | O12 | 136.8° | 33.6° |
| H36 | N4 | C21 | O8 | 180.0° | 180.0° |
| H36 | N4 | C21 | C22 | 0.1° | 0.1° |
| H36 | N4 | C23 | C24 | 29.8° | 25.0° |
| H36 | N4 | C23 | C26 | 88.2° | 94.7° |
| H36 | N4 | C23 | H40 | 149.0° | 145.1° |
| O8 | C21 | C22 | H37 | 0.0° | 180.0° |
| O8 | C21 | C22 | H38 | 120.0° | 60.0° |
| O8 | C21 | C22 | H39 | 120.0° | 60.1° |
| C21 | C22 | H37 | H38 | 120.0° | 120.1° |
| C21 | C22 | H37 | H39 | 120.0° | 120.0° |
| C21 | C22 | H38 | H39 | 120.0° | 120.0° |
| H37 | C22 | H38 | H39 | 120.0° | 119.9° |
| C24 | C23 | C26 | H40 | 119.9° | 120.0° |
| C23 | C24 | O9 | C25 | 122.5° | 120.1° |
| C23 | C24 | O9 | H41 | 119.2° | 120.0° |
| C23 | C24 | C25 | H41 | 119.3° | 120.0° |
| C23 | C24 | C25 | H42 | 180.0° | 53.7° |
| C23 | C24 | C25 | H43 | 60.0° | 173.7° |
| C23 | C24 | C25 | H44 | 60.0° | 66.2° |
| C24 | C23 | C26 | O10 | 74.5° | 26.5° |
| C23 | C24 | O9 | C15 | 129.1° | 52.3° |
| C24 | C23 | C26 | O12 | 106.1° | 153.5° |
| C26 | C23 | C24 | O9 | 71.7° | 147.0° |
| C26 | C23 | C24 | C25 | 167.6° | 27.0° |
| C26 | C23 | C24 | H41 | 48.3° | 93.0° |
| C23 | C26 | O10 | O12 | 179.4° | 180.0° |
| C23 | C26 | O12 | C28 | 176.5° | 179.7° |
| H40 | C23 | C24 | O9 | 168.1° | 27.0° |
| H40 | C23 | C24 | C25 | 47.5° | 93.0° |
| H40 | C23 | C24 | H41 | 71.8° | 147.0° |
| H40 | C23 | C26 | O10 | 165.6° | 93.5° |
| H40 | C23 | C26 | O12 | 13.8° | 86.5° |
| O9 | C24 | C25 | H41 | 119.1° | 119.9° |
| O9 | C24 | C25 | H42 | 58.3° | 66.4° |
| O9 | C24 | C25 | H43 | 178.4° | 53.6° |
| O9 | C24 | C25 | H44 | 61.7° | 173.6° |
| C24 | C25 | H42 | H43 | 120.0° | 120.0° |
| C24 | C25 | H42 | H44 | 120.0° | 119.9° |
| C24 | C25 | H43 | H44 | 120.0° | 120.0° |
| C25 | C24 | O9 | C15 | 108.4° | 67.7° |
| H41 | C24 | C25 | H42 | 60.8° | 173.7° |
| H41 | C24 | C25 | H43 | 59.3° | 66.3° |
| H41 | C24 | C25 | H44 | 179.2° | 53.7° |
| H41 | C24 | O9 | C15 | 9.9° | 172.4° |
| H42 | C25 | H43 | H44 | 119.9° | 120.0° |
| O10 | C26 | O12 | C28 | 4.1° | 0.3° |
| O11 | C27 | C28 | N5 | 178.5° | 179.9° |
| O11 | C27 | C28 | O12 | 10.4° | 100.5° |
| O11 | C27 | C28 | C29 | 110.6° | 139.5° |
| O11 | C27 | C28 | H45 | 130.2° | 19.5° |
| O11 | C27 | N5 | C36 | 179.4° | 170.5° |
| O11 | C27 | N5 | C37 | 1.5° | 9.5° |
| C27 | C28 | O12 | C29 | 124.2° | 120.0° |
| C27 | C28 | O12 | H45 | 119.1° | 120.0° |
| C27 | C28 | C29 | H45 | 119.2° | 120.0° |
| C27 | C28 | C29 | C30 | 104.7° | 61.1° |
| C27 | C28 | C29 | H46 | 15.0° | 58.9° |
| C27 | C28 | C29 | H47 | 135.7° | 178.9° |
| C28 | C27 | N5 | C36 | 1.1° | 9.6° |
| C28 | C27 | N5 | C37 | 179.9° | 170.5° |
| C27 | C28 | O12 | C26 | 67.2° | 97.4° |
| O12 | C28 | C29 | H45 | 117.5° | 120.0° |
| O12 | C28 | C29 | C30 | 132.0° | 178.9° |
| O12 | C28 | C29 | H46 | 108.4° | 61.1° |
| O12 | C28 | C29 | H47 | 12.4° | 58.9° |
| O12 | C28 | C27 | N5 | 168.0° | 79.4° |
| C28 | C29 | C30 | H46 | 119.6° | 120.0° |
| C28 | C29 | C30 | H47 | 119.6° | 120.0° |
| C28 | C29 | H46 | H47 | 121.1° | 120.0° |
| C28 | C29 | C30 | C32 | 149.7° | 79.3° |
| C28 | C29 | C30 | C33 | 29.6° | 101.0° |
| C29 | C28 | O12 | C26 | 168.6° | 22.6° |
| C29 | C28 | C27 | N5 | 70.9° | 40.6° |
| H45 | C28 | C29 | C30 | 14.5° | 58.9° |
| H45 | C28 | C29 | H46 | 134.2° | 178.8° |
| H45 | C28 | C29 | H47 | 105.1° | 61.1° |
| H45 | C28 | O12 | C26 | 51.9° | 142.6° |
| H45 | C28 | C27 | N5 | 48.3° | 160.6° |
| C30 | C29 | H46 | H47 | 121.1° | 120.0° |
| C29 | C30 | C32 | C33 | 179.3° | 179.7° |
| C29 | C30 | C32 | C34 | 179.5° | 180.0° |
| C29 | C30 | C32 | H49 | 0.5° | 0.1° |
| C29 | C30 | C33 | C35 | 179.0° | 180.0° |
| C29 | C30 | C33 | H50 | 1.0° | 0.0° |
| H46 | C29 | C30 | C32 | 30.1° | 40.7° |
| H46 | C29 | C30 | C33 | 149.2° | 139.0° |
| H47 | C29 | C30 | C32 | 90.7° | 160.7° |
| H47 | C29 | C30 | C33 | 90.1° | 19.0° |
| C30 | C32 | C34 | C31 | 0.3° | 0.0° |
| C30 | C32 | C34 | H49 | 180.0° | 180.0° |
| C32 | C30 | C33 | C35 | 0.3° | 0.3° |
| C32 | C30 | C33 | H50 | 179.7° | 179.7° |
| C30 | C32 | C34 | H51 | 179.7° | 179.7° |
| C30 | C33 | C35 | C31 | 0.7° | 0.0° |
| C33 | C30 | C32 | C34 | 0.2° | 0.3° |
| C33 | C30 | C32 | H49 | 179.8° | 179.7° |
| C30 | C33 | C35 | H50 | 180.0° | 180.0° |
| C30 | C33 | C35 | H52 | 179.2° | 179.7° |
| C34 | C31 | C35 | H48 | 180.0° | 179.7° |
| C31 | C34 | C32 | H51 | 180.0° | 179.7° |
| C31 | C34 | C32 | H49 | 179.6° | 180.0° |
| C34 | C31 | C35 | C33 | 0.6° | 0.3° |
| C34 | C31 | C35 | H52 | 179.4° | 180.0° |
| C35 | C31 | C34 | C32 | 0.1° | 0.3° |
| C31 | C35 | C33 | H52 | 180.0° | 179.8° |
| C31 | C35 | C33 | H50 | 179.3° | 180.0° |
| C35 | C31 | C34 | H51 | 179.9° | 180.0° |
| H48 | C31 | C34 | C32 | 179.9° | 180.0° |
| H48 | C31 | C35 | C33 | 179.4° | 180.0° |
| H48 | C31 | C34 | H51 | 0.1° | 0.3° |
| H48 | C31 | C35 | H52 | 0.6° | 0.3° |
| H49 | C32 | C34 | H51 | 0.4° | 0.3° |
| H50 | C33 | C35 | H52 | 0.8° | 0.3° |
| C36 | N5 | C37 | C27 | 179.1° | 179.9° |
| N5 | C36 | H53 | H54 | 120.0° | 120.1° |
| N5 | C36 | H53 | H55 | 120.0° | 120.0° |
| N5 | C36 | H54 | H55 | 120.0° | 120.0° |
| C36 | N5 | C37 | C38 | 0.9° | 177.6° |
| C36 | N5 | C37 | C39 | 178.3° | 2.4° |
| C37 | N5 | C36 | H53 | 180.0° | 122.1° |
| C37 | N5 | C36 | H54 | 60.0° | 2.1° |
| C37 | N5 | C36 | H55 | 60.0° | 117.9° |
| N5 | C37 | C38 | C39 | 177.5° | 180.0° |
| N5 | C37 | C38 | H56 | 177.5° | 18.0° |
| N5 | C37 | C38 | H57 | 2.5° | 162.1° |
| N5 | C37 | C39 | O13 | 75.3° | 1.6° |
| N5 | C37 | C39 | N6 | 104.7° | 178.5° |
| H53 | C36 | H54 | H55 | 120.0° | 120.0° |
| H53 | C36 | N5 | C27 | 0.9° | 57.8° |
| H54 | C36 | N5 | C27 | 120.9° | 177.8° |
| H55 | C36 | N5 | C27 | 119.1° | 62.2° |
| C37 | C38 | H56 | H57 | 180.0° | 179.9° |
| C38 | C37 | C39 | O13 | 107.4° | 178.5° |
| C38 | C37 | N5 | C27 | 179.9° | 2.3° |
| C38 | C37 | C39 | N6 | 72.6° | 1.5° |
| C39 | C37 | C38 | H56 | 0.0° | 161.9° |
| C39 | C37 | C38 | H57 | 180.0° | 18.0° |
| C37 | C39 | O13 | N6 | 180.0° | 180.0° |
| C37 | C39 | N6 | C40 | 179.1° | 178.2° |
| C37 | C39 | N6 | H58 | 0.9° | 1.3° |
| C39 | C37 | N5 | C27 | 2.6° | 177.7° |
| O13 | C39 | N6 | C40 | 0.9° | 1.9° |
| O13 | C39 | N6 | H58 | 179.1° | 178.7° |
| C40 | N6 | H58 | C39 | 180.0° | 179.5° |
| N6 | C40 | C41 | C42 | 123.0° | 120.1° |
| N6 | C40 | C41 | H59 | 119.2° | 119.5° |
| N6 | C40 | C42 | H59 | 119.4° | 120.5° |
| N6 | C40 | C41 | O14 | 123.7° | 47.8° |
| N6 | C40 | C42 | H60 | 180.0° | 60.0° |
| N6 | C40 | C42 | H61 | 60.0° | 180.0° |
| N6 | C40 | C42 | H62 | 60.0° | 59.9° |
| N6 | C40 | C41 | N7 | 55.9° | 132.2° |
| H58 | N6 | C40 | C41 | 1.4° | 92.3° |
| H58 | N6 | C40 | C42 | 121.1° | 28.1° |
| H58 | N6 | C40 | H59 | 120.1° | 148.6° |
| C41 | C40 | C42 | H59 | 118.0° | 119.9° |
| C40 | C41 | O14 | N7 | 179.6° | 179.9° |
| C41 | C40 | C42 | H60 | 57.4° | 59.6° |
| C41 | C40 | C42 | H61 | 177.4° | 60.3° |
| C41 | C40 | C42 | H62 | 62.7° | 179.6° |
| C40 | C41 | N7 | C43 | 179.9° | 2.0° |
| C40 | C41 | N7 | C44 | 0.6° | 178.1° |
| C41 | C40 | N6 | C39 | 178.7° | 87.2° |
| C42 | C40 | C41 | O14 | 0.7° | 72.4° |
| C40 | C42 | H60 | H61 | 120.0° | 120.0° |
| C40 | C42 | H60 | H62 | 120.0° | 120.0° |
| C40 | C42 | H61 | H62 | 120.0° | 120.1° |
| C42 | C40 | N6 | C39 | 58.9° | 152.4° |
| C42 | C40 | C41 | N7 | 178.9° | 107.7° |
| H59 | C40 | C41 | O14 | 117.1° | 167.3° |
| H59 | C40 | C42 | H60 | 60.6° | 179.5° |
| H59 | C40 | C42 | H61 | 59.4° | 59.5° |
| H59 | C40 | C42 | H62 | 179.4° | 60.5° |
| H59 | C40 | N6 | C39 | 59.9° | 31.9° |
| H59 | C40 | C41 | N7 | 63.3° | 12.7° |
| O14 | C41 | N7 | C43 | 0.5° | 178.1° |
| O14 | C41 | N7 | C44 | 179.8° | 1.9° |
| H60 | C42 | H61 | H62 | 120.0° | 120.0° |
| C43 | N7 | C44 | C41 | 179.3° | 180.0° |
| N7 | C43 | H63 | H64 | 120.0° | 120.0° |
| N7 | C43 | H63 | H65 | 120.0° | 120.0° |
| N7 | C43 | H64 | H65 | 120.0° | 120.0° |
| C43 | N7 | C44 | C45 | 86.9° | 172.8° |
| C43 | N7 | C44 | C46 | 37.7° | 53.0° |
| C43 | N7 | C44 | H66 | 157.1° | 66.8° |
| C44 | N7 | C43 | H63 | 180.0° | 153.4° |
| C44 | N7 | C43 | H64 | 60.0° | 33.4° |
| C44 | N7 | C43 | H65 | 60.0° | 86.7° |
| N7 | C44 | C45 | C46 | 128.0° | 119.3° |
| N7 | C44 | C45 | H66 | 116.4° | 120.4° |
| N7 | C44 | C46 | H66 | 119.7° | 119.8° |
| N7 | C44 | C45 | H67 | 180.0° | 51.4° |
| N7 | C44 | C45 | H68 | 60.0° | 171.4° |
| N7 | C44 | C45 | H69 | 60.0° | 68.6° |
| N7 | C44 | C46 | O15 | 42.1° | 28.3° |
| N7 | C44 | C46 | N2 | 137.9° | 151.7° |
| H63 | C43 | H64 | H65 | 120.0° | 120.0° |
| H63 | C43 | N7 | C41 | 0.7° | 26.6° |
| H64 | C43 | N7 | C41 | 120.7° | 146.6° |
| H65 | C43 | N7 | C41 | 119.3° | 93.4° |
| C45 | C44 | C46 | H66 | 115.5° | 120.4° |
| C44 | C45 | H67 | H68 | 120.0° | 120.0° |
| C44 | C45 | H67 | H69 | 120.0° | 120.0° |
| C44 | C45 | H68 | H69 | 120.0° | 119.9° |
| C45 | C44 | C46 | O15 | 82.7° | 148.0° |
| C45 | C44 | N7 | C41 | 92.4° | 7.2° |
| C45 | C44 | C46 | N2 | 97.3° | 32.0° |
| C46 | C44 | C45 | H67 | 52.0° | 67.9° |
| C46 | C44 | C45 | H68 | 172.0° | 52.2° |
| C46 | C44 | C45 | H69 | 68.0° | 172.1° |
| C44 | C46 | O15 | N2 | 180.0° | 180.0° |
| C46 | C44 | N7 | C41 | 143.0° | 127.0° |
| H66 | C44 | C45 | H67 | 63.5° | 171.8° |
| H66 | C44 | C45 | H68 | 56.4° | 68.2° |
| H66 | C44 | C45 | H69 | 176.4° | 51.7° |
| H66 | C44 | C46 | O15 | 161.8° | 91.5° |
| H66 | C44 | N7 | C41 | 23.6° | 113.2° |
| H66 | C44 | C46 | N2 | 18.2° | 88.5° |
| H67 | C45 | H68 | H69 | 120.0° | 120.0° |
