PRD_002430
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.34Å | 1.36Å | Aromatic |
| C4 | C6 | sing | 1.46Å | 1.43Å | Aromatic |
| C5 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C7 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | O2 | sing | 1.35Å | 1.37Å | |
| C9 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| N3 | H11 | sing | 0.98Å | 1.00Å | |
| C12 | C13 | sing | 1.50Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C15 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | C16 | sing | 1.47Å | 1.45Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.52Å | 1.53Å | |
| C16 | H18 | sing | 1.10Å | 1.10Å | |
| C17 | O5 | doub | 1.22Å | 1.40Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.34Å | 1.39Å | Aromatic |
| C19 | C21 | sing | 1.47Å | 1.43Å | Aromatic |
| C20 | N6 | sing | 1.37Å | 1.32Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.41Å | 1.37Å | Aromatic |
| C21 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| N6 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| C22 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C25 | doub | 1.37Å | 1.39Å | Aromatic |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.37Å | 1.39Å | Aromatic |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| N7 | C27 | sing | 1.47Å | 1.46Å | |
| N7 | H25 | sing | 0.98Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C29 | sing | 1.52Å | 1.53Å | |
| C27 | H26 | sing | 1.10Å | 1.10Å | |
| C28 | O6 | doub | 1.22Å | 1.23Å | |
| C29 | O7 | sing | 1.43Å | 1.42Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| O7 | H29 | sing | 0.97Å | 0.95Å | |
| N8 | C30 | sing | 1.47Å | 1.45Å | |
| N8 | H30 | sing | 0.98Å | 1.00Å | |
| C30 | C31 | sing | 1.50Å | 1.52Å | |
| C30 | C32 | sing | 1.54Å | 1.53Å | |
| C30 | H31 | sing | 1.10Å | 1.10Å | |
| C31 | O8 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | N9 | sing | 1.47Å | 1.49Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| N9 | H39 | sing | 1.01Å | 1.00Å | |
| N9 | H40 | sing | 1.01Å | 1.00Å | |
| N9 | H41 | sing | 1.01Å | 1.00Å | |
| N10 | C36 | sing | 1.47Å | 1.46Å | |
| N10 | H42 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | O9 | doub | 1.21Å | 1.23Å | |
| C38 | O10 | sing | 1.43Å | 1.41Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| O10 | H46 | sing | 0.97Å | 0.95Å | |
| N11 | C39 | sing | 1.46Å | 1.46Å | |
| N11 | H47 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | O11 | doub | 1.21Å | 1.23Å | |
| C40 | O12 | sing | 1.34Å | 1.23Å | |
| C41 | C42 | sing | 1.51Å | 1.50Å | |
| C41 | H49 | sing | 1.09Å | 1.10Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | doub | 1.34Å | 1.36Å | Aromatic |
| C42 | C44 | sing | 1.47Å | 1.43Å | Aromatic |
| C43 | N12 | sing | 1.37Å | 1.37Å | Aromatic |
| C43 | H51 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | doub | 1.41Å | 1.41Å | Aromatic |
| C44 | C46 | sing | 1.40Å | 1.40Å | Aromatic |
| N12 | C45 | sing | 1.38Å | 1.37Å | Aromatic |
| N12 | H52 | sing | 0.97Å | 1.00Å | |
| C45 | C47 | sing | 1.39Å | 1.39Å | Aromatic |
| C46 | C48 | doub | 1.37Å | 1.38Å | Aromatic |
| C46 | H53 | sing | 1.08Å | 1.08Å | |
| C47 | C49 | doub | 1.38Å | 1.37Å | Aromatic |
| C47 | H54 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | sing | 1.39Å | 1.40Å | Aromatic |
| C48 | H55 | sing | 1.08Å | 1.08Å | |
| C49 | H56 | sing | 1.08Å | 1.08Å | |
| O12 | H57 | sing | 0.97Å | 0.95Å | |
| C2 | N3 | sing | 1.36Å | 1.33Å | |
| O2 | C18 | sing | 1.42Å | 1.40Å | |
| C13 | N5 | sing | 1.36Å | 1.33Å | |
| C17 | N7 | sing | 1.34Å | 1.33Å | |
| C26 | C32 | sing | 1.51Å | 1.49Å | |
| C28 | N8 | sing | 1.34Å | 1.33Å | |
| C31 | N10 | sing | 1.35Å | 1.33Å | |
| C37 | N11 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 110.8° | 109.9° |
| N1 | C1 | C3 | 110.3° | 109.9° |
| N1 | C1 | H3 | 108.6° | 109.2° |
| H1 | N1 | H2 | 109.4° | 111.1° |
| C2 | C1 | C3 | 111.0° | 109.3° |
| C2 | C1 | H3 | 108.0° | 109.1° |
| C1 | C2 | O1 | 120.5° | 118.6° |
| C1 | C2 | N3 | 116.8° | 119.4° |
| C3 | C1 | H3 | 108.1° | 109.4° |
| C1 | C3 | C4 | 113.7° | 108.3° |
| C1 | C3 | H4 | 108.4° | 109.7° |
| C1 | C3 | H5 | 108.4° | 109.8° |
| O1 | C2 | N3 | 122.7° | 122.0° |
| C4 | C3 | H4 | 108.4° | 109.8° |
| C4 | C3 | H5 | 108.4° | 109.7° |
| C3 | C4 | C5 | 127.0° | 126.1° |
| C3 | C4 | C6 | 126.7° | 127.0° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| C5 | C4 | C6 | 106.4° | 106.9° |
| C4 | C5 | N2 | 110.1° | 110.4° |
| C4 | C5 | H6 | 124.9° | 124.7° |
| C4 | C6 | C7 | 107.2° | 105.6° |
| C4 | C6 | C8 | 133.9° | 134.5° |
| N2 | C5 | H6 | 124.9° | 124.9° |
| C5 | N2 | C7 | 108.8° | 109.2° |
| C5 | N2 | H7 | 125.6° | 125.4° |
| C7 | C6 | C8 | 118.8° | 119.9° |
| C6 | C7 | N2 | 107.4° | 107.9° |
| C6 | C7 | C9 | 122.4° | 119.4° |
| C6 | C8 | C10 | 118.7° | 119.8° |
| C6 | C8 | H8 | 120.6° | 120.1° |
| C7 | N2 | H7 | 125.5° | 125.4° |
| N2 | C7 | C9 | 130.2° | 132.7° |
| C7 | C9 | O2 | 105.6° | 120.4° |
| C7 | C9 | C11 | 117.4° | 119.4° |
| C10 | C8 | H8 | 120.6° | 120.1° |
| C8 | C10 | C11 | 121.1° | 120.6° |
| C8 | C10 | H9 | 119.4° | 119.7° |
| O2 | C9 | C11 | 100.5° | 120.1° |
| C9 | O2 | C18 | 157.1° | 121.4° |
| C9 | C11 | C10 | 121.5° | 120.8° |
| C9 | C11 | H10 | 119.2° | 119.6° |
| C11 | C10 | H9 | 119.4° | 119.7° |
| C10 | C11 | H10 | 119.2° | 119.6° |
| C12 | N3 | H11 | 118.9° | 119.8° |
| N3 | C12 | C13 | 113.7° | 111.4° |
| N3 | C12 | C14 | 110.2° | 110.7° |
| N3 | C12 | H12 | 108.4° | 108.2° |
| C12 | N3 | C2 | 122.2° | 119.7° |
| H11 | N3 | C2 | 118.9° | 120.4° |
| C13 | C12 | C14 | 109.2° | 110.1° |
| C13 | C12 | H12 | 107.6° | 108.1° |
| C12 | C13 | O3 | 120.8° | 121.2° |
| C12 | C13 | N5 | 116.2° | 118.7° |
| C14 | C12 | H12 | 107.6° | 108.2° |
| C12 | C14 | C15 | 112.5° | 109.4° |
| C12 | C14 | H13 | 108.7° | 109.5° |
| C12 | C14 | H14 | 108.7° | 109.5° |
| O3 | C13 | N5 | 123.0° | 120.1° |
| C15 | C14 | H13 | 108.7° | 109.5° |
| C15 | C14 | H14 | 108.7° | 109.5° |
| C14 | C15 | O4 | 120.9° | 120.0° |
| C14 | C15 | N4 | 116.4° | 120.0° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| O4 | C15 | N4 | 122.6° | 119.9° |
| C15 | N4 | H15 | 120.0° | 119.9° |
| C15 | N4 | H16 | 120.0° | 120.1° |
| H15 | N4 | H16 | 120.0° | 120.0° |
| C16 | N5 | H17 | 118.5° | 120.1° |
| N5 | C16 | C17 | 109.0° | 109.4° |
| N5 | C16 | C18 | 110.5° | 111.1° |
| N5 | C16 | H18 | 109.5° | 107.9° |
| C16 | N5 | C13 | 123.0° | 119.8° |
| H17 | N5 | C13 | 118.5° | 120.1° |
| C17 | C16 | C18 | 110.7° | 112.6° |
| C17 | C16 | H18 | 108.6° | 107.1° |
| C16 | C17 | O5 | 114.7° | 116.3° |
| C16 | C17 | N7 | 120.5° | 124.0° |
| C18 | C16 | H18 | 108.6° | 108.5° |
| C16 | C18 | C19 | 109.4° | 110.1° |
| C16 | C18 | H19 | 108.7° | 109.4° |
| C16 | C18 | O2 | 109.2° | 112.3° |
| O5 | C17 | N7 | 124.8° | 119.7° |
| C19 | C18 | H19 | 108.7° | 108.6° |
| C18 | C19 | C20 | 126.9° | 127.9° |
| C18 | C19 | C21 | 127.0° | 125.4° |
| C19 | C18 | O2 | 110.3° | 107.1° |
| H19 | C18 | O2 | 110.5° | 109.2° |
| C20 | C19 | C21 | 106.2° | 106.7° |
| C19 | C20 | N6 | 108.4° | 109.9° |
| C19 | C20 | H20 | 125.8° | 125.2° |
| C19 | C21 | C22 | 106.5° | 106.0° |
| C19 | C21 | C23 | 133.8° | 134.3° |
| N6 | C20 | H20 | 125.8° | 124.9° |
| C20 | N6 | C22 | 110.7° | 110.0° |
| C20 | N6 | H21 | 124.7° | 124.9° |
| C22 | C21 | C23 | 119.6° | 119.7° |
| C21 | C22 | N6 | 108.2° | 106.7° |
| C21 | C22 | C24 | 120.1° | 118.9° |
| C21 | C23 | C25 | 120.2° | 119.6° |
| C21 | C23 | H22 | 119.9° | 120.2° |
| C22 | N6 | H21 | 124.6° | 125.1° |
| N6 | C22 | C24 | 131.7° | 134.4° |
| C22 | C24 | C26 | 120.4° | 119.5° |
| C22 | C24 | H23 | 119.8° | 119.5° |
| C25 | C23 | H22 | 119.9° | 120.2° |
| C23 | C25 | C26 | 120.3° | 120.2° |
| C23 | C25 | H24 | 119.9° | 120.0° |
| C26 | C24 | H23 | 119.8° | 121.0° |
| C24 | C26 | C25 | 119.4° | 120.7° |
| C24 | C26 | C32 | 104.8° | 121.5° |
| C26 | C25 | H24 | 119.8° | 119.8° |
| C25 | C26 | C32 | 110.4° | 117.7° |
| C27 | N7 | H25 | 119.3° | 118.7° |
| N7 | C27 | C28 | 111.1° | 110.8° |
| N7 | C27 | C29 | 110.7° | 110.5° |
| N7 | C27 | H26 | 109.0° | 108.2° |
| C27 | N7 | C17 | 121.4° | 122.5° |
| H25 | N7 | C17 | 119.3° | 118.7° |
| C28 | C27 | C29 | 109.7° | 110.8° |
| C28 | C27 | H26 | 108.2° | 107.8° |
| C27 | C28 | O6 | 120.8° | 116.8° |
| C27 | C28 | N8 | 116.2° | 122.6° |
| C29 | C27 | H26 | 108.1° | 108.6° |
| C27 | C29 | O7 | 111.0° | 109.5° |
| C27 | C29 | H27 | 109.1° | 109.5° |
| C27 | C29 | H28 | 109.1° | 109.5° |
| O6 | C28 | N8 | 123.0° | 120.5° |
| O7 | C29 | H27 | 109.1° | 109.5° |
| O7 | C29 | H28 | 109.1° | 109.4° |
| C29 | O7 | H29 | 109.5° | 114.0° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| C30 | N8 | H30 | 118.5° | 114.5° |
| N8 | C30 | C31 | 109.4° | 111.9° |
| N8 | C30 | C32 | 110.9° | 109.0° |
| N8 | C30 | H31 | 109.3° | 108.2° |
| C30 | N8 | C28 | 123.1° | 124.9° |
| H30 | N8 | C28 | 118.5° | 120.6° |
| C31 | C30 | C32 | 110.3° | 111.0° |
| C31 | C30 | H31 | 108.5° | 108.2° |
| C30 | C31 | O8 | 120.4° | 120.1° |
| C30 | C31 | N10 | 116.4° | 119.9° |
| C32 | C30 | H31 | 108.4° | 108.4° |
| C30 | C32 | C33 | 113.2° | 110.9° |
| C30 | C32 | H32 | 91.6° | 110.1° |
| C30 | C32 | C26 | 131.0° | 105.2° |
| O8 | C31 | N10 | 123.2° | 120.0° |
| C33 | C32 | H32 | 91.6° | 109.7° |
| C32 | C33 | C34 | 111.8° | 109.5° |
| C32 | C33 | H33 | 108.9° | 109.5° |
| C32 | C33 | H34 | 108.9° | 109.4° |
| C33 | C32 | C26 | 115.6° | 111.1° |
| H32 | C32 | C26 | 91.6° | 109.9° |
| C34 | C33 | H33 | 108.9° | 109.5° |
| C34 | C33 | H34 | 108.9° | 109.5° |
| C33 | C34 | C35 | 110.9° | 109.5° |
| C33 | C34 | H35 | 109.1° | 109.5° |
| C33 | C34 | H36 | 109.1° | 109.5° |
| H33 | C33 | H34 | 109.5° | 109.4° |
| C35 | C34 | H35 | 109.1° | 109.5° |
| C35 | C34 | H36 | 109.1° | 109.5° |
| C34 | C35 | N9 | 111.7° | 109.5° |
| C34 | C35 | H37 | 108.9° | 109.5° |
| C34 | C35 | H38 | 108.9° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.4° |
| N9 | C35 | H37 | 108.9° | 109.4° |
| N9 | C35 | H38 | 108.9° | 109.5° |
| C35 | N9 | H39 | 109.5° | 109.5° |
| C35 | N9 | H40 | 109.4° | 109.5° |
| C35 | N9 | H41 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.4° | 109.5° |
| H39 | N9 | H40 | 109.5° | 109.5° |
| H39 | N9 | H41 | 109.4° | 109.5° |
| H40 | N9 | H41 | 109.5° | 109.5° |
| C36 | N10 | H42 | 119.2° | 120.0° |
| N10 | C36 | C37 | 110.6° | 109.5° |
| N10 | C36 | C38 | 110.4° | 109.4° |
| N10 | C36 | H43 | 109.3° | 109.5° |
| C36 | N10 | C31 | 121.5° | 120.0° |
| H42 | N10 | C31 | 119.2° | 120.0° |
| C37 | C36 | C38 | 109.8° | 109.5° |
| C37 | C36 | H43 | 108.4° | 109.5° |
| C36 | C37 | O9 | 120.9° | 120.0° |
| C36 | C37 | N11 | 116.2° | 120.0° |
| C38 | C36 | H43 | 108.3° | 109.5° |
| C36 | C38 | O10 | 110.8° | 109.4° |
| C36 | C38 | H44 | 109.1° | 109.4° |
| C36 | C38 | H45 | 109.1° | 109.5° |
| O9 | C37 | N11 | 122.8° | 120.0° |
| O10 | C38 | H44 | 109.2° | 109.5° |
| O10 | C38 | H45 | 109.2° | 109.5° |
| C38 | O10 | H46 | 109.5° | 113.9° |
| H44 | C38 | H45 | 109.5° | 109.5° |
| C39 | N11 | H47 | 119.6° | 120.0° |
| N11 | C39 | C40 | 110.3° | 109.5° |
| N11 | C39 | C41 | 112.0° | 109.5° |
| N11 | C39 | H48 | 108.9° | 109.5° |
| C39 | N11 | C37 | 120.8° | 120.0° |
| H47 | N11 | C37 | 119.6° | 120.0° |
| C40 | C39 | C41 | 109.6° | 109.5° |
| C40 | C39 | H48 | 108.1° | 109.4° |
| C39 | C40 | O11 | 121.0° | 120.0° |
| C39 | C40 | O12 | 120.9° | 120.0° |
| C41 | C39 | H48 | 107.9° | 109.5° |
| C39 | C41 | C42 | 115.6° | 109.4° |
| C39 | C41 | H49 | 107.9° | 109.5° |
| C39 | C41 | H50 | 107.9° | 109.5° |
| O11 | C40 | O12 | 118.1° | 120.1° |
| C40 | O12 | H57 | 109.5° | 117.0° |
| C42 | C41 | H49 | 107.9° | 109.5° |
| C42 | C41 | H50 | 107.9° | 109.4° |
| C41 | C42 | C43 | 127.3° | 126.5° |
| C41 | C42 | C44 | 126.5° | 126.5° |
| H49 | C41 | H50 | 109.5° | 109.5° |
| C43 | C42 | C44 | 106.2° | 107.0° |
| C42 | C43 | N12 | 110.2° | 109.9° |
| C42 | C43 | H51 | 124.9° | 125.1° |
| C42 | C44 | C45 | 107.3° | 106.0° |
| C42 | C44 | C46 | 133.8° | 134.0° |
| N12 | C43 | H51 | 124.9° | 125.0° |
| C43 | N12 | C45 | 108.9° | 109.8° |
| C43 | N12 | H52 | 125.5° | 125.1° |
| C45 | C44 | C46 | 118.9° | 120.0° |
| C44 | C45 | N12 | 107.5° | 107.2° |
| C44 | C45 | C47 | 122.3° | 119.3° |
| C44 | C46 | C48 | 118.6° | 119.8° |
| C44 | C46 | H53 | 120.7° | 120.1° |
| C45 | N12 | H52 | 125.6° | 125.1° |
| N12 | C45 | C47 | 130.2° | 133.5° |
| C45 | C47 | C49 | 117.5° | 119.8° |
| C45 | C47 | H54 | 121.2° | 120.1° |
| C48 | C46 | H53 | 120.7° | 120.1° |
| C46 | C48 | C49 | 121.2° | 120.5° |
| C46 | C48 | H55 | 119.4° | 119.8° |
| C49 | C47 | H54 | 121.2° | 120.1° |
| C47 | C49 | C48 | 121.4° | 120.7° |
| C47 | C49 | H56 | 119.3° | 119.7° |
| C49 | C48 | H55 | 119.4° | 119.7° |
| C48 | C49 | H56 | 119.3° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 122.9° | 120.7° |
| N1 | C1 | C2 | H3 | 118.8° | 119.7° |
| N1 | C1 | C3 | H3 | 118.5° | 119.9° |
| N1 | C1 | C2 | O1 | 101.5° | 144.8° |
| N1 | C1 | C3 | C4 | 161.2° | 107.1° |
| N1 | C1 | C3 | H4 | 78.2° | 133.1° |
| N1 | C1 | C3 | H5 | 40.6° | 12.8° |
| N1 | C1 | C2 | N3 | 78.6° | 35.4° |
| H1 | N1 | C1 | C2 | 180.0° | 60.1° |
| H1 | N1 | C1 | C3 | 56.7° | 179.5° |
| H1 | N1 | C1 | H3 | 61.5° | 59.6° |
| H2 | N1 | C1 | C2 | 60.0° | 63.9° |
| H2 | N1 | C1 | C3 | 176.7° | 56.4° |
| H2 | N1 | C1 | H3 | 58.4° | 176.4° |
| C2 | C1 | C3 | H3 | 118.3° | 119.4° |
| C1 | C2 | O1 | N3 | 179.9° | 179.8° |
| C2 | C1 | C3 | C4 | 38.0° | 13.7° |
| C2 | C1 | C3 | H4 | 158.6° | 106.1° |
| C2 | C1 | C3 | H5 | 82.6° | 133.5° |
| C1 | C2 | N3 | C12 | 177.3° | 175.3° |
| C1 | C2 | N3 | H11 | 2.7° | 4.8° |
| C3 | C1 | C2 | O1 | 135.6° | 94.5° |
| C1 | C3 | C4 | H4 | 120.6° | 119.8° |
| C1 | C3 | C4 | H5 | 120.6° | 119.9° |
| C1 | C3 | H4 | H5 | 118.1° | 120.6° |
| C1 | C3 | C4 | C5 | 55.4° | 84.3° |
| C1 | C3 | C4 | C6 | 123.9° | 96.1° |
| C3 | C1 | C2 | N3 | 44.3° | 85.3° |
| H3 | C1 | C2 | O1 | 17.3° | 25.1° |
| H3 | C1 | C3 | C4 | 80.3° | 133.1° |
| H3 | C1 | C3 | H4 | 40.3° | 13.2° |
| H3 | C1 | C3 | H5 | 159.1° | 107.1° |
| H3 | C1 | C2 | N3 | 162.6° | 155.2° |
| O1 | C2 | N3 | C12 | 2.8° | 4.9° |
| O1 | C2 | N3 | H11 | 177.2° | 175.0° |
| C4 | C3 | H4 | H5 | 118.1° | 120.5° |
| C3 | C4 | C5 | C6 | 179.4° | 179.7° |
| C3 | C4 | C5 | N2 | 179.6° | 179.2° |
| C3 | C4 | C5 | H6 | 0.4° | 0.8° |
| C3 | C4 | C6 | C7 | 179.5° | 178.9° |
| C3 | C4 | C6 | C8 | 0.6° | 1.3° |
| H4 | C3 | C4 | C5 | 65.2° | 155.9° |
| H4 | C3 | C4 | C6 | 115.4° | 23.7° |
| H5 | C3 | C4 | C5 | 176.0° | 35.6° |
| H5 | C3 | C4 | C6 | 3.3° | 144.0° |
| C4 | C5 | N2 | H6 | 180.0° | 180.0° |
| C5 | C4 | C6 | C7 | 0.1° | 1.5° |
| C5 | C4 | C6 | C8 | 180.0° | 178.3° |
| C4 | C5 | N2 | C7 | 0.1° | 0.3° |
| C4 | C5 | N2 | H7 | 179.9° | 179.7° |
| C6 | C4 | C5 | N2 | 0.1° | 1.1° |
| C6 | C4 | C5 | H6 | 179.9° | 178.9° |
| C4 | C6 | C7 | C8 | 179.9° | 179.8° |
| C4 | C6 | C7 | N2 | 0.0° | 1.3° |
| C4 | C6 | C7 | C9 | 180.0° | 178.5° |
| C4 | C6 | C8 | C10 | 179.9° | 179.7° |
| C4 | C6 | C8 | H8 | 0.2° | 0.3° |
| C5 | N2 | C7 | C6 | 0.1° | 0.7° |
| C5 | N2 | C7 | H7 | 180.0° | 180.0° |
| C5 | N2 | C7 | C9 | 179.9° | 179.1° |
| H6 | C5 | N2 | C7 | 179.9° | 179.7° |
| H6 | C5 | N2 | H7 | 0.1° | 0.4° |
| C6 | C7 | N2 | C9 | 180.0° | 179.8° |
| C6 | C7 | N2 | H7 | 180.0° | 179.4° |
| C7 | C6 | C8 | C10 | 0.0° | 0.6° |
| C7 | C6 | C8 | H8 | 180.0° | 179.5° |
| C6 | C7 | C9 | O2 | 110.8° | 177.8° |
| C6 | C7 | C9 | C11 | 0.1° | 1.8° |
| C8 | C6 | C7 | N2 | 179.9° | 178.5° |
| C8 | C6 | C7 | C9 | 0.1° | 1.7° |
| C6 | C8 | C10 | H8 | 180.0° | 179.9° |
| C6 | C8 | C10 | C11 | 0.0° | 0.3° |
| C6 | C8 | C10 | H9 | 180.0° | 179.7° |
| N2 | C7 | C9 | O2 | 69.2° | 2.0° |
| N2 | C7 | C9 | C11 | 179.9° | 178.4° |
| H7 | N2 | C7 | C9 | 0.1° | 0.9° |
| C7 | C9 | O2 | C11 | 122.5° | 179.6° |
| C7 | C9 | C11 | C10 | 0.1° | 0.9° |
| C7 | C9 | C11 | H10 | 179.9° | 179.0° |
| C7 | C9 | O2 | C18 | 126.0° | 71.1° |
| C8 | C10 | C11 | C9 | 0.0° | 0.1° |
| C8 | C10 | C11 | H9 | 180.0° | 179.9° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| H8 | C8 | C10 | C11 | 180.0° | 179.6° |
| H8 | C8 | C10 | H9 | 0.1° | 0.3° |
| O2 | C9 | C11 | C10 | 113.7° | 178.7° |
| O2 | C9 | C11 | H10 | 66.3° | 1.4° |
| C9 | O2 | C18 | C16 | 123.6° | 25.5° |
| C9 | O2 | C18 | C19 | 116.1° | 146.5° |
| C9 | O2 | C18 | H19 | 4.2° | 96.0° |
| C9 | C11 | C10 | H10 | 180.0° | 179.9° |
| C9 | C11 | C10 | H9 | 180.0° | 179.9° |
| C11 | C9 | O2 | C18 | 3.5° | 108.6° |
| H9 | C10 | C11 | H10 | 0.0° | 0.0° |
| C12 | N3 | H11 | C2 | 180.0° | 179.9° |
| N3 | C12 | C13 | C14 | 123.5° | 123.2° |
| N3 | C12 | C13 | H12 | 120.0° | 118.8° |
| N3 | C12 | C14 | H12 | 118.0° | 118.4° |
| N3 | C12 | C13 | O3 | 86.9° | 63.1° |
| N3 | C12 | C14 | C15 | 179.4° | 65.0° |
| N3 | C12 | C14 | H13 | 60.1° | 55.0° |
| N3 | C12 | C14 | H14 | 59.0° | 175.0° |
| N3 | C12 | C13 | N5 | 93.7° | 117.5° |
| H11 | N3 | C12 | C13 | 108.3° | 117.6° |
| H11 | N3 | C12 | C14 | 128.8° | 119.5° |
| H11 | N3 | C12 | H12 | 11.3° | 1.1° |
| C13 | C12 | C14 | H12 | 116.5° | 118.0° |
| C12 | C13 | O3 | N5 | 179.4° | 179.3° |
| C13 | C12 | C14 | C15 | 53.9° | 171.4° |
| C13 | C12 | C14 | H13 | 174.4° | 68.6° |
| C13 | C12 | C14 | H14 | 66.6° | 51.4° |
| C12 | C13 | N5 | C16 | 174.2° | 178.5° |
| C12 | C13 | N5 | H17 | 5.8° | 1.5° |
| C13 | C12 | N3 | C2 | 71.7° | 62.3° |
| C14 | C12 | C13 | O3 | 36.6° | 60.1° |
| C12 | C14 | C15 | H13 | 120.5° | 120.0° |
| C12 | C14 | C15 | H14 | 120.4° | 120.0° |
| C12 | C14 | H13 | H14 | 118.6° | 120.0° |
| C12 | C14 | C15 | O4 | 91.5° | 0.0° |
| C12 | C14 | C15 | N4 | 88.5° | 180.0° |
| C14 | C12 | N3 | C2 | 51.2° | 60.6° |
| C14 | C12 | C13 | N5 | 142.8° | 119.3° |
| H12 | C12 | C13 | O3 | 153.1° | 178.1° |
| H12 | C12 | C14 | C15 | 62.6° | 53.4° |
| H12 | C12 | C14 | H13 | 57.9° | 173.4° |
| H12 | C12 | C14 | H14 | 177.0° | 66.6° |
| H12 | C12 | N3 | C2 | 168.7° | 179.0° |
| H12 | C12 | C13 | N5 | 26.3° | 1.3° |
| O3 | C13 | N5 | C16 | 5.2° | 2.1° |
| O3 | C13 | N5 | H17 | 174.8° | 177.8° |
| C15 | C14 | H13 | H14 | 118.6° | 120.0° |
| C14 | C15 | O4 | N4 | 180.0° | 180.0° |
| C14 | C15 | N4 | H15 | 180.0° | 0.0° |
| C14 | C15 | N4 | H16 | 0.0° | 180.0° |
| H13 | C14 | C15 | O4 | 148.0° | 120.0° |
| H13 | C14 | C15 | N4 | 31.9° | 60.0° |
| H14 | C14 | C15 | O4 | 28.9° | 120.0° |
| H14 | C14 | C15 | N4 | 151.0° | 60.0° |
| O4 | C15 | N4 | H15 | 0.0° | 180.0° |
| O4 | C15 | N4 | H16 | 180.0° | 0.0° |
| C15 | N4 | H15 | H16 | 180.0° | 180.0° |
| C16 | N5 | H17 | C13 | 180.0° | 179.9° |
| N5 | C16 | C17 | C18 | 121.6° | 124.1° |
| N5 | C16 | C17 | H18 | 119.2° | 116.7° |
| N5 | C16 | C18 | H18 | 120.1° | 118.5° |
| N5 | C16 | C17 | O5 | 31.6° | 104.4° |
| N5 | C16 | C18 | C19 | 179.9° | 138.1° |
| N5 | C16 | C18 | H19 | 61.4° | 18.8° |
| N5 | C16 | C18 | O2 | 59.2° | 102.6° |
| N5 | C16 | C17 | N7 | 148.9° | 73.4° |
| H17 | N5 | C16 | C17 | 92.8° | 71.7° |
| H17 | N5 | C16 | C18 | 29.0° | 53.3° |
| H17 | N5 | C16 | H18 | 148.6° | 172.1° |
| C17 | C16 | C18 | H18 | 119.1° | 118.3° |
| C16 | C17 | O5 | N7 | 179.5° | 177.9° |
| C17 | C16 | C18 | C19 | 59.2° | 14.9° |
| C17 | C16 | C18 | H19 | 59.4° | 104.4° |
| C16 | C17 | N7 | C27 | 179.9° | 172.5° |
| C16 | C17 | N7 | H25 | 0.2° | 9.8° |
| C17 | C16 | C18 | O2 | 180.0° | 134.2° |
| C17 | C16 | N5 | C13 | 87.2° | 108.2° |
| C18 | C16 | C17 | O5 | 90.0° | 131.5° |
| C16 | C18 | C19 | H19 | 118.6° | 119.8° |
| C16 | C18 | C19 | O2 | 120.2° | 122.4° |
| C16 | C18 | H19 | O2 | 119.8° | 123.3° |
| C16 | C18 | C19 | C20 | 82.0° | 88.1° |
| C16 | C18 | C19 | C21 | 97.7° | 92.9° |
| C18 | C16 | N5 | C13 | 151.0° | 126.8° |
| C18 | C16 | C17 | N7 | 89.5° | 50.8° |
| H18 | C16 | C17 | O5 | 150.9° | 12.3° |
| H18 | C16 | C18 | C19 | 59.9° | 103.4° |
| H18 | C16 | C18 | H19 | 178.5° | 137.3° |
| H18 | C16 | C18 | O2 | 60.9° | 15.9° |
| H18 | C16 | N5 | C13 | 31.5° | 8.0° |
| H18 | C16 | C17 | N7 | 29.6° | 169.9° |
| O5 | C17 | N7 | C27 | 0.4° | 9.8° |
| O5 | C17 | N7 | H25 | 179.6° | 167.9° |
| C19 | C18 | H19 | O2 | 121.2° | 116.5° |
| C18 | C19 | C20 | C21 | 179.8° | 179.2° |
| C18 | C19 | C20 | N6 | 179.8° | 177.9° |
| C18 | C19 | C20 | H20 | 0.3° | 2.2° |
| C18 | C19 | C21 | C22 | 179.8° | 173.8° |
| C18 | C19 | C21 | C23 | 0.2° | 7.7° |
| H19 | C18 | C19 | C20 | 159.4° | 152.1° |
| H19 | C18 | C19 | C21 | 20.9° | 26.9° |
| C19 | C20 | N6 | H20 | 180.0° | 179.9° |
| C20 | C19 | C21 | C22 | 0.0° | 7.1° |
| C20 | C19 | C21 | C23 | 180.0° | 171.5° |
| C19 | C20 | N6 | C22 | 0.1° | 2.4° |
| C19 | C20 | N6 | H21 | 179.9° | 177.6° |
| C20 | C19 | C18 | O2 | 38.2° | 34.4° |
| C21 | C19 | C20 | N6 | 0.0° | 3.0° |
| C21 | C19 | C20 | H20 | 180.0° | 177.0° |
| C19 | C21 | C22 | C23 | 180.0° | 178.8° |
| C19 | C21 | C22 | N6 | 0.1° | 8.4° |
| C19 | C21 | C22 | C24 | 179.9° | 169.8° |
| C19 | C21 | C23 | C25 | 179.9° | 171.0° |
| C19 | C21 | C23 | H22 | 0.1° | 9.0° |
| C21 | C19 | C18 | O2 | 142.1° | 144.7° |
| C20 | N6 | C22 | C21 | 0.1° | 6.9° |
| C20 | N6 | C22 | H21 | 180.0° | 180.0° |
| C20 | N6 | C22 | C24 | 179.9° | 170.8° |
| H20 | C20 | N6 | C22 | 179.9° | 177.7° |
| H20 | C20 | N6 | H21 | 0.1° | 2.4° |
| C21 | C22 | N6 | C24 | 179.8° | 177.7° |
| C21 | C22 | N6 | H21 | 179.9° | 173.1° |
| C22 | C21 | C23 | C25 | 0.0° | 10.7° |
| C22 | C21 | C23 | H22 | 180.0° | 169.3° |
| C21 | C22 | C24 | C26 | 0.0° | 2.7° |
| C21 | C22 | C24 | H23 | 179.9° | 177.1° |
| C23 | C21 | C22 | N6 | 180.0° | 170.4° |
| C23 | C21 | C22 | C24 | 0.1° | 11.5° |
| C21 | C23 | C25 | H22 | 180.0° | 180.0° |
| C21 | C23 | C25 | C26 | 0.3° | 1.1° |
| C21 | C23 | C25 | H24 | 179.6° | 179.0° |
| N6 | C22 | C24 | C26 | 179.7° | 179.8° |
| N6 | C22 | C24 | H23 | 0.3° | 0.4° |
| H21 | N6 | C22 | C24 | 0.1° | 9.2° |
| C22 | C24 | C26 | H23 | 180.0° | 179.8° |
| C22 | C24 | C26 | C25 | 0.4° | 6.8° |
| C22 | C24 | C26 | C32 | 123.9° | 169.4° |
| C23 | C25 | C26 | C24 | 0.5° | 7.8° |
| C23 | C25 | C26 | H24 | 180.0° | 179.9° |
| C23 | C25 | C26 | C32 | 121.0° | 168.6° |
| H22 | C23 | C25 | C26 | 179.7° | 178.9° |
| H22 | C23 | C25 | H24 | 0.4° | 1.0° |
| C24 | C26 | C25 | C32 | 121.5° | 176.4° |
| C24 | C26 | C25 | H24 | 179.5° | 172.2° |
| C24 | C26 | C32 | C30 | 66.5° | 70.4° |
| C24 | C26 | C32 | C33 | 107.6° | 49.6° |
| C24 | C26 | C32 | H32 | 159.9° | 171.2° |
| H23 | C24 | C26 | C25 | 179.6° | 173.3° |
| H23 | C24 | C26 | C32 | 56.1° | 10.4° |
| C25 | C26 | C32 | C30 | 63.4° | 106.0° |
| C25 | C26 | C32 | C33 | 122.6° | 134.1° |
| C25 | C26 | C32 | H32 | 30.1° | 12.5° |
| H24 | C25 | C26 | C32 | 59.0° | 11.4° |
| C27 | N7 | H25 | C17 | 180.0° | 177.8° |
| N7 | C27 | C28 | C29 | 122.6° | 123.1° |
| N7 | C27 | C28 | H26 | 119.6° | 118.2° |
| N7 | C27 | C29 | H26 | 119.3° | 118.5° |
| N7 | C27 | C28 | O6 | 79.7° | 47.8° |
| N7 | C27 | C29 | O7 | 62.6° | 179.6° |
| N7 | C27 | C29 | H27 | 57.7° | 60.4° |
| N7 | C27 | C29 | H28 | 177.2° | 59.6° |
| N7 | C27 | C28 | N8 | 100.8° | 132.0° |
| H25 | N7 | C27 | C28 | 37.8° | 11.4° |
| H25 | N7 | C27 | C29 | 84.3° | 134.7° |
| H25 | N7 | C27 | H26 | 157.0° | 106.6° |
| C28 | C27 | C29 | H26 | 117.8° | 118.2° |
| C27 | C28 | O6 | N8 | 179.5° | 179.9° |
| C28 | C27 | C29 | O7 | 174.6° | 56.3° |
| C28 | C27 | C29 | H27 | 65.2° | 176.3° |
| C28 | C27 | C29 | H28 | 54.3° | 63.7° |
| C27 | C28 | N8 | C30 | 177.5° | 178.4° |
| C27 | C28 | N8 | H30 | 2.5° | 0.8° |
| C28 | C27 | N7 | C17 | 142.2° | 170.9° |
| C29 | C27 | C28 | O6 | 43.0° | 170.9° |
| C27 | C29 | O7 | H27 | 120.2° | 120.0° |
| C27 | C29 | O7 | H28 | 120.3° | 120.0° |
| C27 | C29 | H27 | H28 | 119.3° | 120.0° |
| C27 | C29 | O7 | H29 | 180.0° | 180.0° |
| C29 | C27 | N7 | C17 | 95.7° | 47.6° |
| C29 | C27 | C28 | N8 | 136.5° | 8.9° |
| H26 | C27 | C28 | O6 | 160.7° | 70.4° |
| H26 | C27 | C29 | O7 | 56.7° | 61.9° |
| H26 | C27 | C29 | H27 | 177.0° | 58.1° |
| H26 | C27 | C29 | H28 | 63.5° | 178.1° |
| H26 | C27 | N7 | C17 | 23.1° | 71.1° |
| H26 | C27 | C28 | N8 | 18.8° | 109.7° |
| O6 | C28 | N8 | C30 | 3.0° | 1.8° |
| O6 | C28 | N8 | H30 | 177.0° | 179.1° |
| O7 | C29 | H27 | H28 | 119.3° | 120.0° |
| H27 | C29 | O7 | H29 | 59.8° | 60.0° |
| H28 | C29 | O7 | H29 | 59.7° | 60.0° |
| C30 | N8 | H30 | C28 | 180.0° | 179.2° |
| N8 | C30 | C31 | C32 | 122.3° | 122.1° |
| N8 | C30 | C31 | H31 | 119.2° | 119.1° |
| N8 | C30 | C32 | H31 | 120.0° | 117.5° |
| N8 | C30 | C31 | O8 | 52.8° | 20.0° |
| N8 | C30 | C32 | C33 | 156.6° | 118.5° |
| N8 | C30 | C32 | H32 | 64.2° | 120.0° |
| N8 | C30 | C32 | C26 | 29.2° | 1.7° |
| N8 | C30 | C31 | N10 | 127.3° | 160.0° |
| H30 | N8 | C30 | C31 | 74.5° | 131.5° |
| H30 | N8 | C30 | C32 | 47.4° | 105.2° |
| H30 | N8 | C30 | H31 | 166.9° | 12.5° |
| C31 | C30 | C32 | H31 | 118.6° | 118.7° |
| C30 | C31 | O8 | N10 | 179.9° | 180.0° |
| C31 | C30 | C32 | C33 | 35.2° | 117.8° |
| C31 | C30 | C32 | H32 | 57.2° | 3.7° |
| C30 | C31 | N10 | C36 | 178.8° | 180.0° |
| C30 | C31 | N10 | H42 | 1.2° | 0.0° |
| C31 | C30 | C32 | C26 | 150.7° | 122.1° |
| C31 | C30 | N8 | C28 | 105.5° | 47.6° |
| C32 | C30 | C31 | O8 | 69.5° | 102.0° |
| C30 | C32 | C33 | H32 | 92.4° | 121.8° |
| C30 | C32 | C33 | C26 | 175.1° | 116.5° |
| C30 | C32 | H32 | C26 | 131.1° | 115.4° |
| C30 | C32 | C33 | C34 | 170.1° | 178.5° |
| C30 | C32 | C33 | H33 | 49.8° | 58.5° |
| C30 | C32 | C33 | H34 | 69.5° | 61.5° |
| C32 | C30 | N8 | C28 | 132.5° | 75.6° |
| C32 | C30 | C31 | N10 | 110.4° | 78.0° |
| H31 | C30 | C31 | O8 | 172.0° | 139.1° |
| H31 | C30 | C32 | C33 | 83.4° | 0.9° |
| H31 | C30 | C32 | H32 | 175.8° | 122.5° |
| H31 | C30 | C32 | C26 | 90.8° | 119.2° |
| H31 | C30 | N8 | C28 | 13.1° | 166.7° |
| H31 | C30 | C31 | N10 | 8.1° | 40.9° |
| O8 | C31 | N10 | C36 | 1.3° | 0.0° |
| O8 | C31 | N10 | H42 | 178.7° | 180.0° |
| C33 | C32 | H32 | C26 | 115.7° | 122.4° |
| C32 | C33 | C34 | H33 | 120.4° | 120.0° |
| C32 | C33 | C34 | H34 | 120.4° | 120.0° |
| C32 | C33 | H33 | H34 | 119.0° | 119.9° |
| C32 | C33 | C34 | C35 | 171.3° | 180.0° |
| C32 | C33 | C34 | H35 | 51.1° | 60.0° |
| C32 | C33 | C34 | H36 | 68.5° | 60.0° |
| H32 | C32 | C33 | C34 | 77.8° | 56.7° |
| H32 | C32 | C33 | H33 | 42.6° | 63.3° |
| H32 | C32 | C33 | H34 | 161.9° | 176.8° |
| C34 | C33 | H33 | H34 | 118.9° | 120.0° |
| C33 | C34 | C35 | H35 | 120.2° | 120.0° |
| C33 | C34 | C35 | H36 | 120.2° | 120.0° |
| C33 | C34 | H35 | H36 | 119.3° | 120.0° |
| C33 | C34 | C35 | N9 | 52.7° | 180.0° |
| C33 | C34 | C35 | H37 | 173.0° | 60.0° |
| C33 | C34 | C35 | H38 | 67.7° | 60.0° |
| C34 | C33 | C32 | C26 | 14.8° | 65.0° |
| H33 | C33 | C34 | C35 | 68.3° | 60.0° |
| H33 | C33 | C34 | H35 | 171.5° | 180.0° |
| H33 | C33 | C34 | H36 | 51.9° | 60.0° |
| H33 | C33 | C32 | C26 | 135.1° | 175.0° |
| H34 | C33 | C34 | C35 | 51.0° | 60.0° |
| H34 | C33 | C34 | H35 | 69.2° | 60.0° |
| H34 | C33 | C34 | H36 | 171.2° | 180.0° |
| H34 | C33 | C32 | C26 | 105.6° | 55.0° |
| C35 | C34 | H35 | H36 | 119.3° | 120.0° |
| C34 | C35 | N9 | H37 | 120.4° | 120.0° |
| C34 | C35 | N9 | H38 | 120.4° | 120.0° |
| C34 | C35 | H37 | H38 | 119.0° | 120.0° |
| C34 | C35 | N9 | H39 | 180.0° | 60.0° |
| C34 | C35 | N9 | H40 | 60.0° | 60.0° |
| C34 | C35 | N9 | H41 | 60.0° | 180.0° |
| H35 | C34 | C35 | N9 | 67.5° | 60.0° |
| H35 | C34 | C35 | H37 | 52.8° | 179.9° |
| H35 | C34 | C35 | H38 | 172.1° | 60.0° |
| H36 | C34 | C35 | N9 | 172.9° | 60.0° |
| H36 | C34 | C35 | H37 | 66.7° | 60.0° |
| H36 | C34 | C35 | H38 | 52.5° | 180.0° |
| N9 | C35 | H37 | H38 | 118.9° | 120.0° |
| C35 | N9 | H39 | H40 | 120.0° | 120.0° |
| C35 | N9 | H39 | H41 | 120.0° | 120.0° |
| C35 | N9 | H40 | H41 | 120.0° | 120.0° |
| H37 | C35 | N9 | H39 | 59.6° | 180.0° |
| H37 | C35 | N9 | H40 | 179.6° | 60.0° |
| H37 | C35 | N9 | H41 | 60.4° | 60.0° |
| H38 | C35 | N9 | H39 | 59.7° | 60.0° |
| H38 | C35 | N9 | H40 | 60.4° | 180.0° |
| H38 | C35 | N9 | H41 | 179.6° | 60.0° |
| H39 | N9 | H40 | H41 | 120.0° | 120.0° |
| C36 | N10 | H42 | C31 | 180.0° | 179.9° |
| N10 | C36 | C37 | C38 | 122.0° | 120.0° |
| N10 | C36 | C37 | H43 | 119.9° | 120.0° |
| N10 | C36 | C38 | H43 | 119.6° | 120.0° |
| N10 | C36 | C37 | O9 | 24.2° | 0.0° |
| N10 | C36 | C38 | O10 | 176.2° | 65.0° |
| N10 | C36 | C38 | H44 | 63.6° | 175.0° |
| N10 | C36 | C38 | H45 | 56.0° | 55.0° |
| N10 | C36 | C37 | N11 | 155.7° | 179.9° |
| H42 | N10 | C36 | C37 | 100.1° | 25.0° |
| H42 | N10 | C36 | C38 | 21.5° | 95.0° |
| H42 | N10 | C36 | H43 | 140.6° | 145.0° |
| C37 | C36 | C38 | H43 | 118.2° | 120.0° |
| C36 | C37 | O9 | N11 | 180.0° | 180.0° |
| C37 | C36 | C38 | O10 | 54.0° | 55.0° |
| C37 | C36 | C38 | H44 | 174.2° | 65.0° |
| C37 | C36 | C38 | H45 | 66.2° | 175.0° |
| C36 | C37 | N11 | C39 | 177.6° | 180.0° |
| C36 | C37 | N11 | H47 | 2.5° | 0.1° |
| C37 | C36 | N10 | C31 | 79.9° | 155.0° |
| C38 | C36 | C37 | O9 | 97.8° | 120.0° |
| C36 | C38 | O10 | H44 | 120.2° | 119.9° |
| C36 | C38 | O10 | H45 | 120.2° | 120.0° |
| C36 | C38 | H44 | H45 | 119.4° | 120.0° |
| C36 | C38 | O10 | H46 | 180.0° | 180.0° |
| C38 | C36 | N10 | C31 | 158.5° | 85.0° |
| C38 | C36 | C37 | N11 | 82.3° | 60.0° |
| H43 | C36 | C37 | O9 | 144.1° | 120.0° |
| H43 | C36 | C38 | O10 | 64.2° | 175.0° |
| H43 | C36 | C38 | H44 | 56.0° | 55.0° |
| H43 | C36 | C38 | H45 | 175.6° | 65.0° |
| H43 | C36 | N10 | C31 | 39.5° | 35.0° |
| H43 | C36 | C37 | N11 | 35.9° | 60.0° |
| O9 | C37 | N11 | C39 | 2.5° | 0.0° |
| O9 | C37 | N11 | H47 | 177.5° | 179.9° |
| O10 | C38 | H44 | H45 | 119.4° | 120.1° |
| H44 | C38 | O10 | H46 | 59.8° | 60.1° |
| H45 | C38 | O10 | H46 | 59.8° | 60.0° |
| C39 | N11 | H47 | C37 | 180.0° | 179.9° |
| N11 | C39 | C40 | C41 | 123.8° | 120.0° |
| N11 | C39 | C40 | H48 | 118.9° | 120.0° |
| N11 | C39 | C41 | H48 | 119.8° | 120.0° |
| N11 | C39 | C40 | O11 | 177.2° | 0.0° |
| N11 | C39 | C40 | O12 | 3.2° | 180.0° |
| N11 | C39 | C41 | C42 | 55.5° | 65.0° |
| N11 | C39 | C41 | H49 | 65.4° | 55.0° |
| N11 | C39 | C41 | H50 | 176.4° | 175.0° |
| H47 | N11 | C39 | C40 | 117.6° | 95.1° |
| H47 | N11 | C39 | C41 | 4.7° | 24.9° |
| H47 | N11 | C39 | H48 | 124.0° | 145.0° |
| C40 | C39 | C41 | H48 | 117.4° | 120.0° |
| C39 | C40 | O11 | O12 | 179.6° | 180.0° |
| C40 | C39 | C41 | C42 | 178.3° | 175.0° |
| C40 | C39 | C41 | H49 | 57.4° | 65.0° |
| C40 | C39 | C41 | H50 | 60.9° | 55.0° |
| C39 | C40 | O12 | H57 | 179.5° | 180.0° |
| C40 | C39 | N11 | C37 | 62.4° | 85.0° |
| C41 | C39 | C40 | O11 | 59.0° | 120.0° |
| C41 | C39 | C40 | O12 | 120.5° | 60.0° |
| C39 | C41 | C42 | H49 | 120.9° | 120.0° |
| C39 | C41 | C42 | H50 | 120.9° | 120.0° |
| C39 | C41 | H49 | H50 | 117.3° | 120.1° |
| C39 | C41 | C42 | C43 | 0.3° | 95.0° |
| C39 | C41 | C42 | C44 | 176.4° | 84.8° |
| C41 | C39 | N11 | C37 | 175.2° | 155.0° |
| H48 | C39 | C40 | O11 | 58.3° | 120.0° |
| H48 | C39 | C40 | O12 | 122.1° | 60.0° |
| H48 | C39 | C41 | C42 | 64.3° | 55.0° |
| H48 | C39 | C41 | H49 | 174.8° | 175.0° |
| H48 | C39 | C41 | H50 | 56.6° | 64.9° |
| H48 | C39 | N11 | C37 | 56.0° | 34.9° |
| O11 | C40 | O12 | H57 | 0.0° | 0.0° |
| C42 | C41 | H49 | H50 | 117.2° | 119.9° |
| C41 | C42 | C43 | C44 | 177.3° | 179.8° |
| C41 | C42 | C43 | N12 | 178.9° | 180.0° |
| C41 | C42 | C43 | H51 | 1.1° | 0.0° |
| C41 | C42 | C44 | C45 | 178.6° | 180.0° |
| C41 | C42 | C44 | C46 | 2.0° | 0.1° |
| H49 | C41 | C42 | C43 | 120.5° | 145.0° |
| H49 | C41 | C42 | C44 | 62.7° | 35.3° |
| H50 | C41 | C42 | C43 | 121.2° | 25.0° |
| H50 | C41 | C42 | C44 | 55.5° | 155.2° |
| C42 | C43 | N12 | H51 | 180.0° | 180.0° |
| C43 | C42 | C44 | C45 | 1.3° | 0.2° |
| C43 | C42 | C44 | C46 | 179.4° | 179.7° |
| C42 | C43 | N12 | C45 | 1.3° | 0.2° |
| C42 | C43 | N12 | H52 | 178.7° | 180.0° |
| C44 | C42 | C43 | N12 | 1.6° | 0.2° |
| C44 | C42 | C43 | H51 | 178.4° | 179.8° |
| C42 | C44 | C45 | C46 | 179.5° | 180.0° |
| C42 | C44 | C45 | N12 | 0.5° | 0.1° |
| C42 | C44 | C45 | C47 | 179.4° | 180.0° |
| C42 | C44 | C46 | C48 | 179.2° | 180.0° |
| C42 | C44 | C46 | H53 | 0.8° | 0.0° |
| C43 | N12 | C45 | C44 | 0.4° | 0.0° |
| C43 | N12 | C45 | H52 | 180.0° | 179.8° |
| C43 | N12 | C45 | C47 | 179.6° | 179.8° |
| H51 | C43 | N12 | C45 | 178.7° | 179.9° |
| H51 | C43 | N12 | H52 | 1.3° | 0.1° |
| C44 | C45 | N12 | C47 | 180.0° | 179.8° |
| C44 | C45 | N12 | H52 | 179.6° | 179.8° |
| C45 | C44 | C46 | C48 | 0.1° | 0.1° |
| C45 | C44 | C46 | H53 | 179.9° | 180.0° |
| C44 | C45 | C47 | C49 | 0.1° | 0.0° |
| C44 | C45 | C47 | H54 | 179.9° | 179.9° |
| C46 | C44 | C45 | N12 | 180.0° | 179.8° |
| C46 | C44 | C45 | C47 | 0.0° | 0.0° |
| C44 | C46 | C48 | H53 | 180.0° | 179.9° |
| C44 | C46 | C48 | C49 | 0.0° | 0.1° |
| C44 | C46 | C48 | H55 | 179.9° | 180.0° |
| N12 | C45 | C47 | C49 | 179.9° | 179.8° |
| N12 | C45 | C47 | H54 | 0.1° | 0.3° |
| H52 | N12 | C45 | C47 | 0.4° | 0.0° |
| C45 | C47 | C49 | H54 | 180.0° | 179.9° |
| C45 | C47 | C49 | C48 | 0.1° | 0.0° |
| C45 | C47 | C49 | H56 | 179.9° | 180.0° |
| C46 | C48 | C49 | C47 | 0.1° | 0.1° |
| C46 | C48 | C49 | H55 | 180.0° | 179.9° |
| C46 | C48 | C49 | H56 | 179.9° | 179.9° |
| H53 | C46 | C48 | C49 | 179.9° | 179.9° |
| H53 | C46 | C48 | H55 | 0.1° | 0.1° |
| C47 | C49 | C48 | H56 | 180.0° | 180.0° |
| C47 | C49 | C48 | H55 | 179.9° | 180.0° |
| H54 | C47 | C49 | C48 | 179.9° | 179.9° |
| H54 | C47 | C49 | H56 | 0.2° | 0.1° |
| H55 | C48 | C49 | H56 | 0.1° | 0.1° |
