A1BB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C47 | N15 | sing | 1.34Å | 1.39Å | Aromatic |
| C47 | N13 | doub | 1.31Å | 1.39Å | Aromatic |
| N15 | N14 | sing | 1.40Å | 1.42Å | Aromatic |
| N13 | C42 | sing | 1.33Å | 1.35Å | Aromatic |
| N14 | C42 | doub | 1.31Å | 1.35Å | Aromatic |
| C42 | C41 | sing | 1.51Å | 1.54Å | |
| N12 | C40 | sing | 1.34Å | 1.40Å | Aromatic |
| N12 | C38 | doub | 1.30Å | 1.37Å | Aromatic |
| C39 | C38 | sing | 1.51Å | 1.54Å | |
| C39 | N9 | sing | 1.47Å | 1.44Å | |
| C43 | C41 | sing | 1.53Å | 1.62Å | |
| C43 | C44 | sing | 1.53Å | 1.65Å | |
| C40 | N11 | doub | 1.31Å | 1.37Å | Aromatic |
| C38 | N10 | sing | 1.35Å | 1.36Å | Aromatic |
| C41 | N8 | sing | 1.47Å | 1.57Å | |
| N8 | C33 | sing | 1.38Å | 1.54Å | |
| N6 | C33 | doub | 1.33Å | 1.44Å | Aromatic |
| N6 | C34 | sing | 1.33Å | 1.44Å | Aromatic |
| N9 | C36 | sing | 1.47Å | 1.46Å | |
| N9 | C34 | sing | 1.38Å | 1.35Å | |
| N11 | N10 | sing | 1.39Å | 1.40Å | Aromatic |
| N10 | C37 | sing | 1.46Å | 1.47Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C33 | N5 | sing | 1.33Å | 1.40Å | Aromatic |
| C34 | N7 | doub | 1.33Å | 1.38Å | Aromatic |
| C46 | C44 | sing | 1.53Å | 1.60Å | |
| C44 | C45 | sing | 1.53Å | 1.61Å | |
| N5 | C35 | doub | 1.33Å | 1.49Å | Aromatic |
| N7 | C35 | sing | 1.33Å | 1.48Å | Aromatic |
| C35 | N4 | sing | 1.38Å | 1.41Å | |
| N4 | C30 | sing | 1.47Å | 1.52Å | |
| N4 | C31 | sing | 1.47Å | 1.62Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.57Å | |
| C24 | O5 | sing | 1.43Å | 1.48Å | |
| C29 | C28 | sing | 1.53Å | 1.49Å | |
| C32 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.62Å | |
| C28 | C26 | sing | 1.53Å | 1.59Å | |
| O5 | C21 | sing | 1.36Å | 1.44Å | |
| C20 | C19 | doub | 1.38Å | 1.52Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.49Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.62Å | |
| C19 | C18 | sing | 1.38Å | 1.51Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.60Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.51Å | 1.63Å | |
| C18 | C23 | doub | 1.38Å | 1.52Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.56Å | Aromatic |
| C17 | C3 | sing | 1.53Å | 1.50Å | |
| C25 | N1 | sing | 1.46Å | 1.55Å | |
| N1 | C2 | sing | 1.35Å | 1.44Å | |
| C3 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.51Å | 1.57Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | N2 | sing | 1.46Å | 1.49Å | |
| O2 | C9 | doub | 1.21Å | 1.18Å | |
| N2 | C9 | sing | 1.35Å | 1.45Å | |
| C9 | C6 | sing | 1.51Å | 1.56Å | |
| C6 | C7 | sing | 1.53Å | 1.60Å | |
| C6 | N3 | sing | 1.47Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.64Å | |
| C14 | C12 | sing | 1.53Å | 1.65Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C4 | sing | 1.53Å | 1.55Å | |
| N3 | C5 | sing | 1.47Å | 1.54Å | |
| N3 | C10 | sing | 1.35Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.58Å | |
| O3 | C10 | doub | 1.21Å | 1.20Å | |
| C10 | C11 | sing | 1.49Å | 1.56Å | |
| C13 | C12 | sing | 1.53Å | 1.61Å | |
| C12 | C11 | sing | 1.51Å | 1.60Å | |
| C12 | C16 | sing | 1.53Å | 1.63Å | |
| C11 | O4 | doub | 1.21Å | 1.26Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C43 | H57 | sing | 1.09Å | 1.10Å | |
| C43 | H58 | sing | 1.09Å | 1.10Å | |
| C44 | H59 | sing | 1.09Å | 1.10Å | |
| C45 | H60 | sing | 1.09Å | 1.10Å | |
| C45 | H62 | sing | 1.09Å | 1.10Å | |
| C45 | H61 | sing | 1.09Å | 1.10Å | |
| C46 | H63 | sing | 1.09Å | 1.10Å | |
| C46 | H65 | sing | 1.09Å | 1.10Å | |
| C46 | H64 | sing | 1.09Å | 1.10Å | |
| C47 | H67 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N15 | H66 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N8 | H48 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C47 | N13 | 106.5° | 108.1° |
| C47 | N15 | N14 | 105.6° | 106.4° |
| N15 | C47 | H67 | 126.8° | 126.0° |
| C47 | N15 | H66 | 127.2° | 126.8° |
| C47 | N13 | C42 | 110.6° | 109.8° |
| N13 | C47 | H67 | 126.8° | 125.9° |
| N15 | N14 | C42 | 110.2° | 106.8° |
| N14 | N15 | H66 | 127.2° | 126.8° |
| N13 | C42 | N14 | 107.1° | 109.0° |
| N13 | C42 | C41 | 124.9° | 125.5° |
| N14 | C42 | C41 | 128.0° | 125.5° |
| C42 | C41 | C43 | 100.5° | 109.4° |
| C42 | C41 | N8 | 120.4° | 109.4° |
| C42 | C41 | H56 | 107.9° | 109.5° |
| C40 | N12 | C38 | 101.3° | 109.7° |
| N12 | C40 | N11 | 115.4° | 109.0° |
| N12 | C40 | H55 | 122.3° | 125.5° |
| N12 | C38 | C39 | 123.1° | 128.7° |
| N12 | C38 | N10 | 111.3° | 108.0° |
| C38 | C39 | N9 | 104.6° | 108.1° |
| C39 | C38 | N10 | 125.4° | 123.3° |
| C38 | C39 | H53 | 110.7° | 109.7° |
| C38 | C39 | H54 | 110.7° | 109.7° |
| C39 | N9 | C36 | 118.6° | 111.2° |
| C39 | N9 | C34 | 115.9° | 111.0° |
| N9 | C39 | H53 | 110.7° | 109.7° |
| N9 | C39 | H54 | 110.7° | 109.8° |
| C41 | C43 | C44 | 106.8° | 109.5° |
| C43 | C41 | N8 | 112.8° | 109.5° |
| C43 | C41 | H56 | 106.9° | 109.5° |
| C41 | C43 | H57 | 110.1° | 109.5° |
| C41 | C43 | H58 | 110.2° | 109.4° |
| C43 | C44 | C46 | 107.4° | 109.5° |
| C43 | C44 | C45 | 110.1° | 109.5° |
| C44 | C43 | H57 | 110.2° | 109.4° |
| C44 | C43 | H58 | 110.1° | 109.5° |
| C43 | C44 | H59 | 110.0° | 109.5° |
| C40 | N11 | N10 | 101.7° | 106.6° |
| N11 | C40 | H55 | 122.3° | 125.5° |
| C38 | N10 | N11 | 110.1° | 106.7° |
| C38 | N10 | C37 | 122.1° | 124.1° |
| C41 | N8 | C33 | 116.4° | 120.0° |
| N8 | C41 | H56 | 107.5° | 109.5° |
| C41 | N8 | H48 | 107.7° | 120.0° |
| N8 | C33 | N6 | 105.9° | 120.0° |
| N8 | C33 | N5 | 125.9° | 120.0° |
| C33 | N8 | H48 | 107.7° | 120.0° |
| C33 | N6 | C34 | 111.4° | 120.0° |
| N6 | C33 | N5 | 128.2° | 120.0° |
| N6 | C34 | N9 | 114.7° | 120.0° |
| N6 | C34 | N7 | 127.1° | 120.0° |
| C36 | N9 | C34 | 119.7° | 111.0° |
| N9 | C36 | C37 | 107.2° | 109.7° |
| N9 | C36 | H49 | 110.1° | 109.4° |
| N9 | C36 | H50 | 110.0° | 109.4° |
| N9 | C34 | N7 | 118.3° | 120.0° |
| N11 | N10 | C37 | 127.8° | 129.2° |
| N10 | C37 | C36 | 109.4° | 108.2° |
| N10 | C37 | H52 | 109.5° | 109.7° |
| N10 | C37 | H51 | 109.5° | 109.7° |
| C37 | C36 | H49 | 110.0° | 109.4° |
| C37 | C36 | H50 | 110.0° | 109.5° |
| C36 | C37 | H52 | 109.5° | 109.7° |
| C36 | C37 | H51 | 109.5° | 109.7° |
| C33 | N5 | C35 | 116.8° | 120.0° |
| C34 | N7 | C35 | 118.9° | 120.0° |
| C46 | C44 | C45 | 108.1° | 109.5° |
| C46 | C44 | H59 | 110.6° | 109.5° |
| C44 | C46 | H63 | 109.5° | 109.5° |
| C44 | C46 | H65 | 109.5° | 109.5° |
| C44 | C46 | H64 | 109.5° | 109.5° |
| C45 | C44 | H59 | 110.5° | 109.5° |
| C44 | C45 | H60 | 109.5° | 109.5° |
| C44 | C45 | H62 | 109.5° | 109.5° |
| C44 | C45 | H61 | 109.5° | 109.4° |
| N5 | C35 | N7 | 117.6° | 120.0° |
| N5 | C35 | N4 | 124.1° | 120.0° |
| N7 | C35 | N4 | 118.4° | 120.0° |
| C35 | N4 | C30 | 113.9° | 111.0° |
| C35 | N4 | C31 | 121.4° | 111.0° |
| C30 | N4 | C31 | 115.2° | 111.6° |
| N4 | C30 | C29 | 113.1° | 109.5° |
| N4 | C30 | H43 | 108.6° | 109.5° |
| N4 | C30 | H42 | 108.6° | 109.5° |
| N4 | C31 | C32 | 108.1° | 109.5° |
| N4 | C31 | H45 | 109.8° | 109.4° |
| N4 | C31 | H44 | 109.8° | 109.5° |
| C30 | C29 | C28 | 107.4° | 108.6° |
| C30 | C29 | H41 | 110.0° | 109.6° |
| C30 | C29 | H40 | 110.0° | 109.7° |
| C29 | C30 | H43 | 108.5° | 109.4° |
| C29 | C30 | H42 | 108.6° | 109.5° |
| C31 | C32 | C28 | 118.3° | 108.6° |
| C32 | C31 | H45 | 109.8° | 109.5° |
| C32 | C31 | H44 | 109.8° | 109.5° |
| C31 | C32 | H46 | 107.2° | 109.6° |
| C31 | C32 | H47 | 107.2° | 109.6° |
| C24 | O5 | C21 | 116.8° | 117.0° |
| O5 | C24 | H32 | 109.5° | 109.5° |
| O5 | C24 | H33 | 109.4° | 109.5° |
| O5 | C24 | H34 | 109.5° | 109.5° |
| C29 | C28 | C32 | 117.3° | 114.7° |
| C29 | C28 | C27 | 115.9° | 117.9° |
| C29 | C28 | C26 | 123.3° | 117.8° |
| C28 | C29 | H41 | 110.0° | 109.6° |
| C28 | C29 | H40 | 110.0° | 109.6° |
| C32 | C28 | C27 | 113.0° | 117.8° |
| C32 | C28 | C26 | 113.8° | 117.8° |
| C28 | C32 | H46 | 107.2° | 109.6° |
| C28 | C32 | H47 | 107.2° | 109.6° |
| C27 | C28 | C26 | 60.4° | 60.1° |
| C28 | C27 | C26 | 58.9° | 59.9° |
| C28 | C27 | H38 | 120.2° | 117.5° |
| C28 | C27 | H39 | 120.1° | 117.5° |
| C28 | C26 | C27 | 60.7° | 60.0° |
| C28 | C26 | C25 | 110.9° | 117.5° |
| C28 | C26 | H37 | 119.4° | 117.5° |
| O5 | C21 | C20 | 115.3° | 120.1° |
| O5 | C21 | C22 | 123.0° | 120.1° |
| C19 | C20 | C21 | 124.2° | 119.9° |
| C20 | C19 | C18 | 114.5° | 120.1° |
| C20 | C19 | H28 | 122.7° | 119.9° |
| C19 | C20 | H29 | 117.9° | 120.0° |
| C20 | C21 | C22 | 121.8° | 119.9° |
| C21 | C20 | H29 | 117.9° | 120.0° |
| C27 | C26 | C25 | 112.5° | 117.5° |
| C27 | C26 | H37 | 119.0° | 117.5° |
| C26 | C27 | H38 | 120.2° | 117.5° |
| C26 | C27 | H39 | 120.2° | 117.5° |
| C19 | C18 | C17 | 114.6° | 119.9° |
| C19 | C18 | C23 | 125.1° | 120.1° |
| C18 | C19 | H28 | 122.8° | 120.0° |
| C21 | C22 | C23 | 113.9° | 120.0° |
| C21 | C22 | H30 | 123.0° | 120.0° |
| C26 | C25 | N1 | 110.1° | 109.5° |
| C26 | C25 | H35 | 109.3° | 109.4° |
| C26 | C25 | H36 | 109.3° | 109.5° |
| C25 | C26 | H37 | 120.1° | 115.5° |
| C17 | C18 | C23 | 120.3° | 120.0° |
| C18 | C17 | C3 | 111.6° | 109.5° |
| C18 | C17 | H27 | 108.9° | 109.4° |
| C18 | C17 | H26 | 108.9° | 109.5° |
| C18 | C23 | C22 | 120.5° | 120.1° |
| C18 | C23 | H31 | 119.7° | 119.9° |
| C23 | C22 | H30 | 123.1° | 120.1° |
| C22 | C23 | H31 | 119.7° | 120.0° |
| C17 | C3 | C1 | 98.5° | 109.5° |
| C17 | C3 | H3 | 112.2° | 109.5° |
| C17 | C3 | H4 | 112.1° | 109.4° |
| C3 | C17 | H27 | 108.9° | 109.5° |
| C3 | C17 | H26 | 108.9° | 109.4° |
| C25 | N1 | C2 | 117.2° | 120.0° |
| N1 | C25 | H35 | 109.3° | 109.5° |
| N1 | C25 | H36 | 109.3° | 109.5° |
| C25 | N1 | H2 | 121.4° | 120.1° |
| N1 | C2 | C1 | 105.4° | 120.0° |
| N1 | C2 | O1 | 133.9° | 120.0° |
| C2 | N1 | H2 | 121.4° | 120.0° |
| C3 | C1 | C2 | 110.4° | 109.5° |
| C3 | C1 | N2 | 99.0° | 109.5° |
| C3 | C1 | H1 | 113.1° | 109.5° |
| C1 | C3 | H3 | 112.1° | 109.5° |
| C1 | C3 | H4 | 112.1° | 109.5° |
| C1 | C2 | O1 | 120.7° | 120.0° |
| C2 | C1 | N2 | 106.4° | 109.5° |
| C2 | C1 | H1 | 112.8° | 109.5° |
| C1 | N2 | C9 | 121.0° | 120.0° |
| N2 | C1 | H1 | 114.1° | 109.4° |
| C1 | N2 | H5 | 119.5° | 120.0° |
| O2 | C9 | N2 | 123.6° | 120.0° |
| O2 | C9 | C6 | 123.2° | 120.1° |
| N2 | C9 | C6 | 113.1° | 120.0° |
| C9 | N2 | H5 | 119.5° | 120.0° |
| C9 | C6 | C7 | 109.1° | 109.6° |
| C9 | C6 | N3 | 115.0° | 109.5° |
| C9 | C6 | H10 | 108.7° | 109.8° |
| C7 | C6 | N3 | 106.2° | 108.8° |
| C6 | C7 | C8 | 112.9° | 109.3° |
| C7 | C6 | H10 | 108.2° | 109.6° |
| C6 | C7 | H12 | 108.6° | 109.5° |
| C6 | C7 | H11 | 108.6° | 109.5° |
| C6 | N3 | C5 | 120.0° | 118.7° |
| C6 | N3 | C10 | 112.0° | 120.6° |
| N3 | C6 | H10 | 109.5° | 109.6° |
| C15 | C14 | C12 | 113.2° | 109.5° |
| C15 | C14 | H19 | 108.5° | 109.5° |
| C15 | C14 | H18 | 108.5° | 109.5° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C14 | C15 | H21 | 109.4° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C14 | C12 | C13 | 113.9° | 109.5° |
| C14 | C12 | C11 | 100.5° | 109.5° |
| C14 | C12 | C16 | 115.9° | 109.5° |
| C12 | C14 | H19 | 108.5° | 109.5° |
| C12 | C14 | H18 | 108.5° | 109.5° |
| C7 | C8 | C4 | 108.6° | 109.5° |
| C8 | C7 | H12 | 108.6° | 109.5° |
| C8 | C7 | H11 | 108.6° | 109.5° |
| C7 | C8 | H14 | 109.7° | 109.5° |
| C7 | C8 | H13 | 109.7° | 109.5° |
| C8 | C4 | C5 | 108.8° | 109.3° |
| C8 | C4 | H7 | 109.6° | 109.5° |
| C8 | C4 | H6 | 109.7° | 109.5° |
| C4 | C8 | H14 | 109.7° | 109.4° |
| C4 | C8 | H13 | 109.7° | 109.4° |
| C5 | N3 | C10 | 127.9° | 120.7° |
| N3 | C5 | C4 | 111.5° | 108.8° |
| N3 | C5 | H8 | 108.9° | 109.6° |
| N3 | C5 | H9 | 109.0° | 109.7° |
| N3 | C10 | O3 | 118.1° | 120.0° |
| N3 | C10 | C11 | 118.1° | 120.0° |
| C5 | C4 | H7 | 109.6° | 109.5° |
| C5 | C4 | H6 | 109.6° | 109.5° |
| C4 | C5 | H8 | 109.0° | 109.6° |
| C4 | C5 | H9 | 108.9° | 109.6° |
| O3 | C10 | C11 | 123.8° | 120.0° |
| C10 | C11 | C12 | 121.3° | 120.0° |
| C10 | C11 | O4 | 114.1° | 120.0° |
| C13 | C12 | C11 | 108.0° | 109.5° |
| C13 | C12 | C16 | 110.7° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C12 | C13 | H17 | 109.5° | 109.5° |
| C12 | C13 | H16 | 109.5° | 109.5° |
| C11 | C12 | C16 | 106.9° | 109.5° |
| C12 | C11 | O4 | 124.5° | 120.0° |
| C12 | C16 | H25 | 109.5° | 109.5° |
| C12 | C16 | H23 | 109.5° | 109.4° |
| C12 | C16 | H24 | 109.4° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H57 | C43 | H58 | 109.5° | 109.5° |
| H60 | C45 | H62 | 109.5° | 109.5° |
| H60 | C45 | H61 | 109.5° | 109.5° |
| H62 | C45 | H61 | 109.5° | 109.4° |
| H63 | C46 | H65 | 109.5° | 109.5° |
| H63 | C46 | H64 | 109.4° | 109.5° |
| H65 | C46 | H64 | 109.4° | 109.5° |
| H15 | C13 | H17 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.4° | 109.5° |
| H17 | C13 | H16 | 109.5° | 109.5° |
| H19 | C14 | H18 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H22 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.4° |
| H25 | C16 | H23 | 109.5° | 109.5° |
| H25 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.4° |
| H27 | C17 | H26 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| H32 | C24 | H34 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.5° | 109.4° |
| H35 | C25 | H36 | 109.4° | 109.5° |
| H38 | C27 | H39 | 109.5° | 115.5° |
| H41 | C29 | H40 | 109.5° | 109.7° |
| H43 | C30 | H42 | 109.5° | 109.5° |
| H45 | C31 | H44 | 109.5° | 109.5° |
| H46 | C32 | H47 | 109.5° | 109.8° |
| H49 | C36 | H50 | 109.5° | 109.4° |
| H52 | C37 | H51 | 109.5° | 109.7° |
| H53 | C39 | H54 | 109.5° | 109.8° |
| H7 | C4 | H6 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.6° |
| H12 | C7 | H11 | 109.5° | 109.5° |
| H14 | C8 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C47 | N13 | H67 | 180.0° | 180.0° |
| C47 | N15 | N14 | H66 | 180.0° | 180.0° |
| N15 | C47 | N13 | C42 | 2.0° | 0.2° |
| C47 | N15 | N14 | C42 | 1.2° | 0.2° |
| N13 | C47 | N15 | N14 | 0.5° | 0.0° |
| C47 | N13 | C42 | N14 | 2.7° | 0.3° |
| C47 | N13 | C42 | C41 | 177.0° | 180.0° |
| N13 | C47 | N15 | H66 | 179.5° | 180.0° |
| N15 | N14 | C42 | N13 | 2.4° | 0.3° |
| N15 | N14 | C42 | C41 | 177.3° | 180.0° |
| N14 | N15 | C47 | H67 | 179.5° | 180.0° |
| N13 | C42 | N14 | C41 | 179.7° | 179.7° |
| N13 | C42 | C41 | C43 | 93.3° | 105.0° |
| N13 | C42 | C41 | N8 | 31.1° | 135.0° |
| N13 | C42 | C41 | H56 | 154.9° | 15.0° |
| C42 | N13 | C47 | H67 | 178.0° | 179.8° |
| N14 | C42 | C41 | C43 | 87.0° | 74.6° |
| N14 | C42 | C41 | N8 | 148.6° | 45.3° |
| N14 | C42 | C41 | H56 | 24.8° | 165.3° |
| C42 | N14 | N15 | H66 | 178.8° | 179.8° |
| C42 | C41 | C43 | N8 | 129.5° | 119.9° |
| C42 | C41 | C43 | H56 | 112.5° | 120.0° |
| C42 | C41 | C43 | C44 | 177.5° | 175.0° |
| C42 | C41 | N8 | H56 | 124.0° | 120.0° |
| C42 | C41 | N8 | C33 | 75.2° | 85.0° |
| C42 | C41 | C43 | H57 | 62.9° | 65.0° |
| C42 | C41 | C43 | H58 | 57.9° | 55.1° |
| C42 | C41 | N8 | H48 | 45.8° | 95.0° |
| C40 | N12 | C38 | C39 | 179.8° | 179.8° |
| N12 | C40 | N11 | H55 | 180.0° | 180.0° |
| C40 | N12 | C38 | N10 | 5.0° | 0.1° |
| N12 | C40 | N11 | N10 | 2.0° | 0.0° |
| N12 | C38 | C39 | N10 | 174.0° | 179.9° |
| N12 | C38 | C39 | N9 | 167.0° | 164.2° |
| C38 | N12 | C40 | N11 | 4.4° | 0.1° |
| N12 | C38 | N10 | N11 | 4.3° | 0.1° |
| N12 | C38 | N10 | C37 | 177.8° | 179.8° |
| N12 | C38 | C39 | H53 | 73.7° | 76.2° |
| N12 | C38 | C39 | H54 | 47.9° | 44.4° |
| C38 | N12 | C40 | H55 | 175.6° | 180.0° |
| C38 | C39 | N9 | H53 | 119.2° | 119.6° |
| C38 | C39 | N9 | H54 | 119.2° | 119.7° |
| C38 | C39 | N9 | C36 | 44.2° | 50.0° |
| C38 | C39 | N9 | C34 | 162.7° | 174.2° |
| C39 | C38 | N10 | N11 | 178.9° | 179.8° |
| C39 | C38 | N10 | C37 | 3.1° | 0.3° |
| C38 | C39 | H53 | H54 | 122.3° | 120.6° |
| N9 | C39 | C38 | N10 | 7.0° | 15.7° |
| C39 | N9 | C34 | N6 | 13.7° | 124.0° |
| C39 | N9 | C36 | C34 | 152.0° | 124.1° |
| C39 | N9 | C36 | C37 | 69.6° | 70.5° |
| C39 | N9 | C34 | N7 | 167.0° | 56.0° |
| C39 | N9 | C36 | H49 | 50.0° | 169.5° |
| C39 | N9 | C36 | H50 | 170.7° | 49.6° |
| N9 | C39 | H53 | H54 | 122.2° | 120.8° |
| C41 | C43 | C44 | H57 | 119.6° | 120.1° |
| C41 | C43 | C44 | H58 | 119.6° | 119.9° |
| C43 | C41 | N8 | H56 | 117.6° | 120.1° |
| C43 | C41 | N8 | C33 | 166.4° | 155.0° |
| C41 | C43 | C44 | C46 | 165.1° | 65.0° |
| C41 | C43 | C44 | C45 | 77.4° | 175.0° |
| C41 | C43 | H57 | H58 | 121.3° | 120.0° |
| C41 | C43 | C44 | H59 | 44.7° | 55.0° |
| C43 | C41 | N8 | H48 | 72.6° | 24.9° |
| C44 | C43 | C41 | N8 | 53.0° | 65.0° |
| C43 | C44 | C46 | C45 | 118.8° | 120.0° |
| C43 | C44 | C46 | H59 | 120.1° | 120.0° |
| C43 | C44 | C45 | H59 | 121.7° | 120.0° |
| C44 | C43 | C41 | H56 | 65.0° | 55.0° |
| C44 | C43 | H57 | H58 | 121.2° | 120.0° |
| C43 | C44 | C45 | H60 | 180.0° | 60.0° |
| C43 | C44 | C45 | H62 | 60.0° | 179.9° |
| C43 | C44 | C45 | H61 | 60.0° | 60.0° |
| C43 | C44 | C46 | H63 | 180.0° | 60.0° |
| C43 | C44 | C46 | H65 | 60.0° | 180.0° |
| C43 | C44 | C46 | H64 | 60.0° | 60.0° |
| C40 | N11 | N10 | C38 | 1.3° | 0.1° |
| C40 | N11 | N10 | C37 | 179.2° | 179.8° |
| C38 | N10 | N11 | C37 | 177.8° | 179.9° |
| C38 | N10 | C37 | C36 | 19.6° | 16.2° |
| C38 | N10 | C37 | H52 | 100.4° | 135.9° |
| C38 | N10 | C37 | H51 | 139.6° | 103.5° |
| N10 | C38 | C39 | H53 | 112.3° | 103.9° |
| N10 | C38 | C39 | H54 | 126.2° | 135.5° |
| C41 | N8 | C33 | H48 | 121.0° | 180.0° |
| C41 | N8 | C33 | N6 | 8.2° | 0.3° |
| C41 | N8 | C33 | N5 | 172.5° | 180.0° |
| N8 | C41 | C43 | H57 | 66.6° | 55.0° |
| N8 | C41 | C43 | H58 | 172.6° | 175.0° |
| N8 | C33 | N6 | N5 | 179.2° | 179.7° |
| N8 | C33 | N6 | C34 | 178.9° | 179.7° |
| N8 | C33 | N5 | C35 | 178.8° | 179.7° |
| C33 | N8 | C41 | H56 | 48.8° | 35.0° |
| C33 | N6 | C34 | N9 | 178.6° | 179.9° |
| C33 | N6 | C34 | N7 | 2.1° | 0.0° |
| N6 | C33 | N5 | C35 | 0.3° | 0.0° |
| N6 | C33 | N8 | H48 | 112.8° | 179.7° |
| N6 | C34 | N9 | C36 | 166.4° | 0.3° |
| N6 | C34 | N9 | N7 | 179.3° | 180.0° |
| C34 | N6 | C33 | N5 | 0.3° | 0.0° |
| N6 | C34 | N7 | C35 | 3.7° | 0.0° |
| N9 | C36 | C37 | N10 | 50.4° | 49.4° |
| N9 | C36 | C37 | H49 | 119.7° | 120.0° |
| N9 | C36 | C37 | H50 | 119.6° | 120.1° |
| C36 | N9 | C34 | N7 | 14.2° | 179.8° |
| N9 | C36 | H49 | H50 | 121.0° | 119.9° |
| N9 | C36 | C37 | H52 | 69.6° | 169.1° |
| N9 | C36 | C37 | H51 | 170.4° | 70.3° |
| C36 | N9 | C39 | H53 | 75.0° | 69.5° |
| C36 | N9 | C39 | H54 | 163.4° | 169.7° |
| C34 | N9 | C36 | C37 | 138.4° | 165.4° |
| N9 | C34 | N7 | C35 | 177.1° | 179.9° |
| C34 | N9 | C36 | H49 | 102.0° | 45.4° |
| C34 | N9 | C36 | H50 | 18.7° | 74.5° |
| C34 | N9 | C39 | H53 | 78.1° | 54.6° |
| C34 | N9 | C39 | H54 | 43.5° | 66.1° |
| N11 | N10 | C37 | C36 | 158.0° | 163.7° |
| N11 | N10 | C37 | H52 | 82.0° | 44.0° |
| N11 | N10 | C37 | H51 | 38.0° | 76.6° |
| N10 | N11 | C40 | H55 | 178.0° | 179.9° |
| N10 | C37 | C36 | H52 | 120.0° | 119.7° |
| N10 | C37 | C36 | H51 | 120.0° | 119.7° |
| N10 | C37 | C36 | H49 | 69.3° | 169.4° |
| N10 | C37 | C36 | H50 | 170.0° | 70.7° |
| N10 | C37 | H52 | H51 | 120.0° | 120.6° |
| C37 | C36 | H49 | H50 | 121.0° | 120.0° |
| C36 | C37 | H52 | H51 | 120.0° | 120.6° |
| C33 | N5 | C35 | N7 | 1.7° | 0.0° |
| C33 | N5 | C35 | N4 | 177.9° | 179.9° |
| N5 | C33 | N8 | H48 | 66.4° | 0.0° |
| C34 | N7 | C35 | N5 | 3.3° | 0.0° |
| C34 | N7 | C35 | N4 | 176.3° | 179.9° |
| C46 | C44 | C45 | H59 | 121.2° | 120.0° |
| C46 | C44 | C43 | H57 | 45.5° | 175.0° |
| C46 | C44 | C43 | H58 | 75.3° | 55.0° |
| C46 | C44 | C45 | H60 | 62.9° | 60.0° |
| C46 | C44 | C45 | H62 | 57.1° | 60.0° |
| C46 | C44 | C45 | H61 | 177.1° | 180.0° |
| C44 | C46 | H63 | H65 | 120.0° | 120.0° |
| C44 | C46 | H63 | H64 | 120.0° | 120.0° |
| C44 | C46 | H65 | H64 | 120.0° | 120.0° |
| C45 | C44 | C43 | H57 | 163.1° | 55.0° |
| C45 | C44 | C43 | H58 | 42.2° | 65.0° |
| C44 | C45 | H60 | H62 | 120.0° | 120.1° |
| C44 | C45 | H60 | H61 | 120.0° | 120.0° |
| C44 | C45 | H62 | H61 | 120.0° | 119.9° |
| C45 | C44 | C46 | H63 | 61.2° | 180.0° |
| C45 | C44 | C46 | H65 | 178.8° | 60.0° |
| C45 | C44 | C46 | H64 | 58.8° | 60.0° |
| N5 | C35 | N7 | N4 | 179.6° | 179.9° |
| N5 | C35 | N4 | C30 | 168.1° | 0.1° |
| N5 | C35 | N4 | C31 | 23.3° | 124.7° |
| N7 | C35 | N4 | C30 | 12.4° | 180.0° |
| N7 | C35 | N4 | C31 | 157.2° | 55.2° |
| C35 | N4 | C30 | C31 | 147.0° | 124.4° |
| C35 | N4 | C30 | C29 | 91.1° | 170.8° |
| C35 | N4 | C31 | C32 | 103.3° | 170.8° |
| C35 | N4 | C30 | H43 | 29.4° | 50.8° |
| C35 | N4 | C30 | H42 | 148.3° | 69.2° |
| C35 | N4 | C31 | H45 | 136.9° | 69.2° |
| C35 | N4 | C31 | H44 | 16.4° | 50.8° |
| N4 | C30 | C29 | H43 | 120.5° | 120.0° |
| N4 | C30 | C29 | H42 | 120.5° | 120.0° |
| C30 | N4 | C31 | C32 | 41.0° | 64.8° |
| N4 | C30 | C29 | C28 | 58.8° | 55.6° |
| N4 | C30 | C29 | H41 | 60.9° | 64.1° |
| N4 | C30 | C29 | H40 | 178.4° | 175.4° |
| N4 | C30 | H43 | H42 | 118.4° | 120.0° |
| C30 | N4 | C31 | H45 | 78.8° | 55.2° |
| C30 | N4 | C31 | H44 | 160.8° | 175.2° |
| C31 | N4 | C30 | C29 | 55.9° | 64.8° |
| N4 | C31 | C32 | H45 | 119.8° | 120.0° |
| N4 | C31 | C32 | H44 | 119.8° | 120.0° |
| N4 | C31 | C32 | C28 | 35.1° | 55.6° |
| C31 | N4 | C30 | H43 | 176.5° | 175.2° |
| C31 | N4 | C30 | H42 | 64.6° | 55.2° |
| N4 | C31 | H45 | H44 | 120.7° | 120.0° |
| N4 | C31 | C32 | H46 | 156.3° | 175.3° |
| N4 | C31 | C32 | H47 | 86.2° | 64.1° |
| C30 | C29 | C28 | H41 | 119.7° | 119.7° |
| C30 | C29 | C28 | H40 | 119.7° | 119.9° |
| C30 | C29 | C28 | C32 | 53.4° | 51.4° |
| C30 | C29 | C28 | C27 | 84.3° | 163.0° |
| C30 | C29 | C28 | C26 | 154.5° | 94.0° |
| C30 | C29 | H41 | H40 | 121.0° | 120.5° |
| C29 | C30 | H43 | H42 | 118.4° | 120.0° |
| C31 | C32 | C28 | C29 | 45.2° | 51.4° |
| C31 | C32 | C28 | H46 | 121.3° | 119.7° |
| C31 | C32 | C28 | H47 | 121.3° | 119.7° |
| C31 | C32 | C28 | C27 | 93.7° | 163.0° |
| C31 | C32 | C28 | C26 | 160.1° | 94.0° |
| C32 | C31 | H45 | H44 | 120.6° | 120.0° |
| C31 | C32 | H46 | H47 | 116.0° | 120.5° |
| C24 | O5 | C21 | C20 | 5.3° | 180.0° |
| C24 | O5 | C21 | C22 | 175.2° | 0.1° |
| O5 | C24 | H32 | H33 | 120.0° | 120.0° |
| O5 | C24 | H32 | H34 | 120.0° | 120.0° |
| O5 | C24 | H33 | H34 | 120.0° | 120.0° |
| C29 | C28 | C32 | C27 | 138.9° | 145.6° |
| C29 | C28 | C32 | C26 | 154.7° | 145.4° |
| C29 | C28 | C27 | C26 | 115.3° | 107.7° |
| C29 | C28 | C26 | C25 | 152.0° | 144.7° |
| C29 | C28 | C26 | H37 | 5.6° | 0.3° |
| C29 | C28 | C27 | H38 | 6.1° | 144.8° |
| C29 | C28 | C27 | H39 | 135.6° | 0.2° |
| C28 | C29 | H41 | H40 | 121.0° | 120.4° |
| C28 | C29 | C30 | H43 | 179.3° | 175.6° |
| C28 | C29 | C30 | H42 | 61.8° | 64.4° |
| C29 | C28 | C32 | H46 | 166.5° | 171.2° |
| C29 | C28 | C32 | H47 | 76.0° | 68.3° |
| C32 | C28 | C27 | C26 | 105.3° | 107.7° |
| C32 | C28 | C26 | C25 | 0.9° | 0.3° |
| C32 | C28 | C26 | H37 | 147.4° | 144.7° |
| C32 | C28 | C27 | H38 | 145.6° | 0.3° |
| C32 | C28 | C27 | H39 | 3.9° | 144.8° |
| C32 | C28 | C29 | H41 | 66.3° | 68.3° |
| C32 | C28 | C29 | H40 | 173.1° | 171.3° |
| C28 | C32 | C31 | H45 | 84.7° | 64.4° |
| C28 | C32 | C31 | H44 | 154.9° | 175.6° |
| C28 | C32 | H46 | H47 | 116.0° | 120.4° |
| C28 | C27 | C26 | H38 | 109.2° | 107.5° |
| C28 | C27 | C26 | H39 | 109.1° | 107.5° |
| C27 | C28 | C26 | C25 | 104.8° | 107.5° |
| C27 | C28 | C26 | H37 | 108.7° | 107.5° |
| C28 | C27 | H38 | H39 | 145.3° | 145.8° |
| C27 | C28 | C29 | H41 | 156.0° | 77.3° |
| C27 | C28 | C29 | H40 | 35.3° | 43.1° |
| C27 | C28 | C32 | H46 | 27.6° | 43.2° |
| C27 | C28 | C32 | H47 | 145.1° | 77.3° |
| C28 | C26 | C25 | H37 | 146.2° | 145.7° |
| C28 | C26 | C25 | N1 | 80.7° | 175.1° |
| C28 | C26 | C25 | H35 | 159.2° | 64.9° |
| C28 | C26 | C25 | H36 | 39.5° | 55.1° |
| C26 | C28 | C29 | H41 | 85.8° | 146.3° |
| C26 | C28 | C29 | H40 | 34.9° | 25.9° |
| C26 | C28 | C32 | H46 | 38.8° | 25.7° |
| C26 | C28 | C32 | H47 | 78.7° | 146.2° |
| O5 | C21 | C20 | C19 | 177.5° | 179.9° |
| O5 | C21 | C20 | C22 | 179.5° | 180.0° |
| O5 | C21 | C22 | C23 | 179.1° | 179.8° |
| O5 | C21 | C20 | H29 | 2.5° | 0.0° |
| O5 | C21 | C22 | H30 | 0.9° | 0.0° |
| C21 | O5 | C24 | H32 | 180.0° | 180.0° |
| C21 | O5 | C24 | H33 | 60.0° | 60.0° |
| C21 | O5 | C24 | H34 | 60.0° | 60.0° |
| C19 | C20 | C21 | H29 | 180.0° | 179.9° |
| C20 | C19 | C18 | H28 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 2.0° | 0.0° |
| C20 | C19 | C18 | C17 | 178.7° | 180.0° |
| C20 | C19 | C18 | C23 | 1.3° | 0.3° |
| C21 | C20 | C19 | C18 | 1.1° | 0.0° |
| C20 | C21 | C22 | C23 | 0.4° | 0.3° |
| C21 | C20 | C19 | H28 | 178.9° | 180.0° |
| C20 | C21 | C22 | H30 | 179.6° | 180.0° |
| C27 | C26 | C25 | H37 | 147.9° | 145.7° |
| C27 | C26 | C25 | N1 | 146.5° | 116.3° |
| C27 | C26 | C25 | H35 | 93.3° | 3.7° |
| C27 | C26 | C25 | H36 | 26.4° | 123.7° |
| C26 | C27 | H38 | H39 | 145.3° | 145.7° |
| C19 | C18 | C17 | C23 | 179.9° | 179.7° |
| C19 | C18 | C23 | C22 | 2.9° | 0.6° |
| C19 | C18 | C17 | C3 | 132.4° | 89.7° |
| C19 | C18 | C17 | H27 | 107.3° | 150.3° |
| C19 | C18 | C17 | H26 | 12.1° | 30.2° |
| C18 | C19 | C20 | H29 | 178.9° | 179.9° |
| C19 | C18 | C23 | H31 | 177.1° | 179.7° |
| C21 | C22 | C23 | C18 | 1.9° | 0.6° |
| C21 | C22 | C23 | H30 | 180.0° | 179.7° |
| C22 | C21 | C20 | H29 | 178.0° | 179.9° |
| C21 | C22 | C23 | H31 | 178.1° | 179.7° |
| C26 | C25 | N1 | H35 | 120.1° | 120.0° |
| C26 | C25 | N1 | H36 | 120.1° | 120.0° |
| C26 | C25 | N1 | C2 | 69.7° | 180.0° |
| C26 | C25 | H35 | H36 | 119.7° | 119.9° |
| C25 | C26 | C27 | H38 | 148.6° | 0.0° |
| C25 | C26 | C27 | H39 | 7.0° | 145.0° |
| C26 | C25 | N1 | H2 | 110.3° | 0.0° |
| C17 | C18 | C23 | C22 | 177.2° | 179.7° |
| C18 | C17 | C3 | H27 | 120.3° | 120.0° |
| C18 | C17 | C3 | H26 | 120.3° | 120.0° |
| C18 | C17 | C3 | C1 | 78.4° | 180.0° |
| C18 | C17 | C3 | H3 | 39.7° | 60.0° |
| C18 | C17 | C3 | H4 | 163.4° | 60.0° |
| C18 | C17 | H27 | H26 | 119.0° | 120.0° |
| C17 | C18 | C19 | H28 | 1.3° | 0.0° |
| C17 | C18 | C23 | H31 | 2.8° | 0.0° |
| C18 | C23 | C22 | H31 | 180.0° | 179.7° |
| C23 | C18 | C17 | C3 | 47.6° | 90.0° |
| C23 | C18 | C17 | H27 | 72.8° | 30.0° |
| C23 | C18 | C17 | H26 | 167.9° | 150.1° |
| C23 | C18 | C19 | H28 | 178.6° | 179.7° |
| C18 | C23 | C22 | H30 | 178.1° | 179.7° |
| C17 | C3 | C1 | H3 | 118.2° | 120.0° |
| C17 | C3 | C1 | H4 | 118.1° | 120.0° |
| C17 | C3 | C1 | C2 | 85.4° | 175.0° |
| C17 | C3 | C1 | N2 | 163.3° | 65.0° |
| C17 | C3 | C1 | H1 | 42.1° | 55.0° |
| C17 | C3 | H3 | H4 | 125.1° | 119.9° |
| C3 | C17 | H27 | H26 | 119.0° | 120.0° |
| C25 | N1 | C2 | H2 | 180.0° | 180.0° |
| C25 | N1 | C2 | C1 | 178.6° | 180.0° |
| C25 | N1 | C2 | O1 | 1.2° | 0.0° |
| N1 | C25 | H35 | H36 | 119.7° | 120.0° |
| N1 | C25 | C26 | H37 | 65.5° | 29.4° |
| N1 | C2 | C1 | C3 | 120.1° | 60.0° |
| N1 | C2 | C1 | O1 | 177.8° | 180.0° |
| N1 | C2 | C1 | N2 | 133.5° | 180.0° |
| N1 | C2 | C1 | H1 | 7.6° | 60.0° |
| C2 | N1 | C25 | H35 | 50.4° | 60.0° |
| C2 | N1 | C25 | H36 | 170.2° | 60.0° |
| C3 | C1 | C2 | N2 | 106.5° | 120.0° |
| C3 | C1 | C2 | H1 | 127.7° | 120.0° |
| C3 | C1 | C2 | O1 | 62.1° | 120.0° |
| C3 | C1 | N2 | H1 | 120.4° | 120.0° |
| C3 | C1 | N2 | C9 | 113.6° | 85.0° |
| C1 | C3 | H3 | H4 | 125.1° | 120.0° |
| C1 | C3 | C17 | H27 | 161.3° | 60.0° |
| C1 | C3 | C17 | H26 | 41.9° | 60.0° |
| C3 | C1 | N2 | H5 | 66.4° | 95.0° |
| C2 | C1 | N2 | H1 | 125.1° | 120.0° |
| C2 | C1 | N2 | C9 | 132.0° | 155.0° |
| C2 | C1 | C3 | H3 | 156.4° | 55.0° |
| C2 | C1 | C3 | H4 | 32.7° | 65.0° |
| C1 | C2 | N1 | H2 | 1.4° | 0.0° |
| C2 | C1 | N2 | H5 | 48.0° | 25.0° |
| O1 | C2 | C1 | N2 | 44.3° | 0.0° |
| O1 | C2 | C1 | H1 | 170.2° | 120.0° |
| O1 | C2 | N1 | H2 | 178.8° | 180.0° |
| C1 | N2 | C9 | O2 | 6.7° | 0.0° |
| C1 | N2 | C9 | H5 | 180.0° | 180.0° |
| C1 | N2 | C9 | C6 | 176.1° | 180.0° |
| N2 | C1 | C3 | H3 | 45.1° | 175.0° |
| N2 | C1 | C3 | H4 | 78.6° | 55.0° |
| O2 | C9 | N2 | C6 | 177.1° | 179.9° |
| O2 | C9 | C6 | C7 | 56.8° | 49.0° |
| O2 | C9 | C6 | N3 | 176.0° | 70.3° |
| O2 | C9 | C6 | H10 | 60.9° | 169.4° |
| O2 | C9 | N2 | H5 | 173.3° | 180.0° |
| N2 | C9 | C6 | C7 | 126.0° | 130.9° |
| N2 | C9 | C6 | N3 | 6.8° | 109.8° |
| C9 | N2 | C1 | H1 | 6.9° | 35.0° |
| N2 | C9 | C6 | H10 | 116.2° | 10.5° |
| C9 | C6 | C7 | N3 | 124.5° | 119.8° |
| C9 | C6 | C7 | H10 | 118.0° | 120.5° |
| C9 | C6 | N3 | H10 | 122.6° | 120.4° |
| C9 | C6 | C7 | C8 | 70.3° | 174.4° |
| C9 | C6 | N3 | C5 | 73.8° | 173.4° |
| C9 | C6 | N3 | C10 | 109.6° | 6.6° |
| C9 | C6 | C7 | H12 | 50.2° | 54.4° |
| C9 | C6 | C7 | H11 | 169.2° | 65.6° |
| C6 | C9 | N2 | H5 | 3.9° | 0.0° |
| C7 | C6 | N3 | H10 | 116.6° | 119.8° |
| C6 | C7 | C8 | H12 | 120.5° | 120.0° |
| C6 | C7 | C8 | H11 | 120.5° | 119.9° |
| C6 | C7 | C8 | C4 | 64.4° | 61.3° |
| C7 | C6 | N3 | C5 | 46.9° | 53.6° |
| C7 | C6 | N3 | C10 | 129.6° | 126.4° |
| C6 | C7 | H12 | H11 | 118.4° | 120.0° |
| C6 | C7 | C8 | H14 | 55.4° | 58.6° |
| C6 | C7 | C8 | H13 | 175.7° | 178.7° |
| N3 | C6 | C7 | C8 | 54.2° | 54.6° |
| C6 | N3 | C5 | C10 | 175.9° | 180.0° |
| C6 | N3 | C5 | C4 | 48.4° | 53.6° |
| C6 | N3 | C10 | O3 | 2.6° | 8.0° |
| C6 | N3 | C10 | C11 | 174.2° | 172.1° |
| C6 | N3 | C5 | H8 | 168.7° | 173.4° |
| C6 | N3 | C5 | H9 | 71.9° | 66.3° |
| N3 | C6 | C7 | H12 | 174.7° | 65.4° |
| N3 | C6 | C7 | H11 | 66.3° | 174.6° |
| C15 | C14 | C12 | H19 | 120.6° | 120.0° |
| C15 | C14 | C12 | H18 | 120.5° | 120.0° |
| C15 | C14 | C12 | C13 | 142.7° | 60.0° |
| C15 | C14 | C12 | C11 | 102.1° | 180.0° |
| C15 | C14 | C12 | C16 | 12.5° | 60.0° |
| C15 | C14 | H19 | H18 | 118.3° | 119.9° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H22 | 120.0° | 120.0° |
| C14 | C15 | H21 | H22 | 120.0° | 120.0° |
| C14 | C12 | C11 | C10 | 53.6° | 180.0° |
| C14 | C12 | C13 | C11 | 110.7° | 120.0° |
| C14 | C12 | C13 | C16 | 132.6° | 120.0° |
| C14 | C12 | C11 | C16 | 121.3° | 120.0° |
| C14 | C12 | C11 | O4 | 129.8° | 0.0° |
| C14 | C12 | C13 | H15 | 180.0° | 60.0° |
| C14 | C12 | C13 | H17 | 60.0° | 60.0° |
| C14 | C12 | C13 | H16 | 60.0° | 180.0° |
| C12 | C14 | H19 | H18 | 118.3° | 120.0° |
| C12 | C14 | C15 | H20 | 180.0° | 60.0° |
| C12 | C14 | C15 | H21 | 60.0° | 60.0° |
| C12 | C14 | C15 | H22 | 60.0° | 180.0° |
| C14 | C12 | C16 | H25 | 180.0° | 180.0° |
| C14 | C12 | C16 | H23 | 60.0° | 59.9° |
| C14 | C12 | C16 | H24 | 60.0° | 60.0° |
| C7 | C8 | C4 | H14 | 119.9° | 120.0° |
| C7 | C8 | C4 | H13 | 119.9° | 120.0° |
| C7 | C8 | C4 | C5 | 60.8° | 61.3° |
| C7 | C8 | C4 | H7 | 179.3° | 178.7° |
| C7 | C8 | C4 | H6 | 59.1° | 58.6° |
| C8 | C7 | C6 | H10 | 171.7° | 65.1° |
| C8 | C7 | H12 | H11 | 118.5° | 120.1° |
| C7 | C8 | H14 | H13 | 120.4° | 120.0° |
| C8 | C4 | C5 | N3 | 51.7° | 54.6° |
| C8 | C4 | C5 | H7 | 119.9° | 120.0° |
| C8 | C4 | C5 | H6 | 119.9° | 119.9° |
| C8 | C4 | H7 | H6 | 120.3° | 120.1° |
| C8 | C4 | C5 | H8 | 172.0° | 174.4° |
| C8 | C4 | C5 | H9 | 68.6° | 65.4° |
| C4 | C8 | C7 | H12 | 175.1° | 58.6° |
| C4 | C8 | C7 | H11 | 56.1° | 178.7° |
| C4 | C8 | H14 | H13 | 120.4° | 119.9° |
| N3 | C5 | C4 | H8 | 120.3° | 119.8° |
| N3 | C5 | C4 | H9 | 120.3° | 120.0° |
| C5 | N3 | C10 | O3 | 178.8° | 172.0° |
| C5 | N3 | C10 | C11 | 2.0° | 7.9° |
| N3 | C5 | C4 | H7 | 171.6° | 174.6° |
| N3 | C5 | C4 | H6 | 68.2° | 65.3° |
| N3 | C5 | H8 | H9 | 119.1° | 120.4° |
| C5 | N3 | C6 | H10 | 163.5° | 66.2° |
| C10 | N3 | C5 | C4 | 127.6° | 126.4° |
| N3 | C10 | O3 | C11 | 176.6° | 179.9° |
| N3 | C10 | C11 | C12 | 109.9° | 170.8° |
| N3 | C10 | C11 | O4 | 73.1° | 9.3° |
| C10 | N3 | C5 | H8 | 7.3° | 6.6° |
| C10 | N3 | C5 | H9 | 112.1° | 113.7° |
| C10 | N3 | C6 | H10 | 13.0° | 113.8° |
| C5 | C4 | H7 | H6 | 120.3° | 120.1° |
| C4 | C5 | H8 | H9 | 119.1° | 120.3° |
| C5 | C4 | C8 | H14 | 59.1° | 58.7° |
| C5 | C4 | C8 | H13 | 179.4° | 178.7° |
| O3 | C10 | C11 | C12 | 73.5° | 9.2° |
| O3 | C10 | C11 | O4 | 103.4° | 170.8° |
| C10 | C11 | C12 | C13 | 65.9° | 60.0° |
| C10 | C11 | C12 | O4 | 176.6° | 179.9° |
| C10 | C11 | C12 | C16 | 174.9° | 59.9° |
| C13 | C12 | C11 | C16 | 119.1° | 120.0° |
| C13 | C12 | C11 | O4 | 110.7° | 120.0° |
| C12 | C13 | H15 | H17 | 120.0° | 120.0° |
| C12 | C13 | H15 | H16 | 120.0° | 120.0° |
| C12 | C13 | H17 | H16 | 120.0° | 120.0° |
| C13 | C12 | C14 | H19 | 96.8° | 60.0° |
| C13 | C12 | C14 | H18 | 22.1° | 180.0° |
| C13 | C12 | C16 | H25 | 48.4° | 60.0° |
| C13 | C12 | C16 | H23 | 71.7° | 60.1° |
| C13 | C12 | C16 | H24 | 168.4° | 180.0° |
| C11 | C12 | C13 | H15 | 69.3° | 60.0° |
| C11 | C12 | C13 | H17 | 50.7° | 180.0° |
| C11 | C12 | C13 | H16 | 170.7° | 60.0° |
| C11 | C12 | C14 | H19 | 18.4° | 60.0° |
| C11 | C12 | C14 | H18 | 137.3° | 60.0° |
| C11 | C12 | C16 | H25 | 69.0° | 60.0° |
| C11 | C12 | C16 | H23 | 170.9° | 180.0° |
| C11 | C12 | C16 | H24 | 51.0° | 60.1° |
| C16 | C12 | C11 | O4 | 8.5° | 120.0° |
| C16 | C12 | C13 | H15 | 47.3° | 180.0° |
| C16 | C12 | C13 | H17 | 167.3° | 60.0° |
| C16 | C12 | C13 | H16 | 72.6° | 60.0° |
| C16 | C12 | C14 | H19 | 133.1° | 180.0° |
| C16 | C12 | C14 | H18 | 108.0° | 60.0° |
| C12 | C16 | H25 | H23 | 120.0° | 120.0° |
| C12 | C16 | H25 | H24 | 120.0° | 120.0° |
| C12 | C16 | H23 | H24 | 120.0° | 119.9° |
| H1 | C1 | C3 | H3 | 76.0° | 65.0° |
| H1 | C1 | C3 | H4 | 160.3° | 175.0° |
| H1 | C1 | N2 | H5 | 173.1° | 145.0° |
| H3 | C3 | C17 | H27 | 80.6° | 180.0° |
| H3 | C3 | C17 | H26 | 160.0° | 60.0° |
| H4 | C3 | C17 | H27 | 43.1° | 60.0° |
| H4 | C3 | C17 | H26 | 76.3° | 179.9° |
| H56 | C41 | C43 | H57 | 175.4° | 175.0° |
| H56 | C41 | C43 | H58 | 54.6° | 65.0° |
| H56 | C41 | N8 | H48 | 169.8° | 145.0° |
| H57 | C43 | C44 | H59 | 74.9° | 65.0° |
| H58 | C43 | C44 | H59 | 164.3° | 175.0° |
| H59 | C44 | C45 | H60 | 58.3° | 180.0° |
| H59 | C44 | C45 | H62 | 178.3° | 60.0° |
| H59 | C44 | C45 | H61 | 61.8° | 60.0° |
| H59 | C44 | C46 | H63 | 60.0° | 60.0° |
| H59 | C44 | C46 | H65 | 60.1° | 60.0° |
| H59 | C44 | C46 | H64 | 179.9° | NaN° |
| H60 | C45 | H62 | H61 | 120.0° | 120.0° |
| H63 | C46 | H65 | H64 | 119.9° | 120.0° |
| H67 | C47 | N15 | H66 | 0.5° | 0.0° |
| H15 | C13 | H17 | H16 | 120.0° | 120.0° |
| H19 | C14 | C15 | H20 | 59.4° | 180.0° |
| H19 | C14 | C15 | H21 | 60.6° | 60.0° |
| H19 | C14 | C15 | H22 | 179.4° | 59.9° |
| H18 | C14 | C15 | H20 | 59.5° | 60.1° |
| H18 | C14 | C15 | H21 | 179.5° | 179.9° |
| H18 | C14 | C15 | H22 | 60.5° | 60.0° |
| H20 | C15 | H21 | H22 | 120.0° | 120.0° |
| H25 | C16 | H23 | H24 | 120.0° | 120.0° |
| H28 | C19 | C20 | H29 | 1.1° | 0.1° |
| H30 | C22 | C23 | H31 | 1.9° | 0.0° |
| H32 | C24 | H33 | H34 | 120.0° | 120.0° |
| H35 | C25 | C26 | H37 | 54.6° | 149.5° |
| H35 | C25 | N1 | H2 | 129.6° | 120.0° |
| H36 | C25 | C26 | H37 | 174.4° | 90.6° |
| H36 | C25 | N1 | H2 | 9.8° | 120.0° |
| H37 | C26 | C27 | H38 | 0.3° | 145.0° |
| H37 | C26 | C27 | H39 | 141.4° | 0.0° |
| H41 | C29 | C30 | H43 | 59.7° | 55.9° |
| H41 | C29 | C30 | H42 | 178.6° | 175.9° |
| H40 | C29 | C30 | H43 | 61.0° | 64.6° |
| H40 | C29 | C30 | H42 | 57.9° | 55.4° |
| H45 | C31 | C32 | H46 | 36.5° | 55.4° |
| H45 | C31 | C32 | H47 | 154.0° | 175.9° |
| H44 | C31 | C32 | H46 | 83.9° | 64.7° |
| H44 | C31 | C32 | H47 | 33.6° | 55.9° |
| H49 | C36 | C37 | H52 | 170.7° | 70.9° |
| H49 | C36 | C37 | H51 | 50.7° | 49.7° |
| H50 | C36 | C37 | H52 | 50.0° | 49.1° |
| H50 | C36 | C37 | H51 | 70.0° | 169.6° |
| H7 | C4 | C5 | H8 | 68.1° | 65.6° |
| H7 | C4 | C5 | H9 | 51.3° | 54.6° |
| H7 | C4 | C8 | H14 | 60.8° | 61.3° |
| H7 | C4 | C8 | H13 | 59.5° | 58.7° |
| H6 | C4 | C5 | H8 | 52.1° | 54.5° |
| H6 | C4 | C5 | H9 | 171.5° | 174.7° |
| H6 | C4 | C8 | H14 | 179.0° | 178.6° |
| H6 | C4 | C8 | H13 | 60.7° | 61.4° |
| H10 | C6 | C7 | H12 | 67.8° | 174.9° |
| H10 | C6 | C7 | H11 | 51.1° | 54.9° |
| H12 | C7 | C8 | H14 | 65.1° | 178.5° |
| H12 | C7 | C8 | H13 | 55.2° | 61.4° |
| H11 | C7 | C8 | H14 | 175.9° | 61.3° |
| H11 | C7 | C8 | H13 | 63.8° | 58.7° |
