A1B7P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N39 | C2 | trip | 1.14Å | 1.14Å | |
| C2 | C35 | sing | 1.47Å | 1.46Å | |
| O47 | C22 | doub | 1.21Å | 1.23Å | |
| C35 | C33 | sing | 1.53Å | 1.55Å | |
| C10 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| CL1 | C17 | sing | 1.74Å | 1.74Å | |
| C22 | C37 | sing | 1.51Å | 1.52Å | |
| C22 | N45 | sing | 1.35Å | 1.37Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C33 | N45 | sing | 1.47Å | 1.48Å | |
| C33 | C31 | sing | 1.53Å | 1.52Å | |
| C17 | C14 | doub | 1.40Å | 1.43Å | Aromatic |
| N45 | C30 | sing | 1.47Å | 1.47Å | |
| C11 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | doub | 1.41Å | 1.42Å | Aromatic |
| C3 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.55Å | 1.52Å | |
| C26 | C32 | sing | 1.55Å | 1.53Å | |
| C19 | C36 | sing | 1.51Å | 1.51Å | |
| C19 | N40 | doub | 1.32Å | 1.34Å | Aromatic |
| C31 | N44 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C6 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.42Å | 1.43Å | Aromatic |
| C14 | C16 | sing | 1.41Å | 1.44Å | Aromatic |
| N40 | C12 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C25 | C28 | sing | 1.54Å | 1.50Å | |
| C38 | O48 | sing | 1.43Å | 1.44Å | |
| C38 | C32 | sing | 1.53Å | 1.52Å | |
| O48 | C21 | sing | 1.35Å | 1.34Å | |
| C32 | N46 | sing | 1.48Å | 1.52Å | |
| C21 | N42 | doub | 1.32Å | 1.33Å | Aromatic |
| C21 | N41 | sing | 1.32Å | 1.32Å | Aromatic |
| N42 | C20 | sing | 1.33Å | 1.34Å | Aromatic |
| N41 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| C20 | N44 | sing | 1.39Å | 1.42Å | |
| C20 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| N44 | C29 | sing | 1.47Å | 1.47Å | |
| C18 | C15 | sing | 1.37Å | 1.41Å | Aromatic |
| C18 | C24 | sing | 1.50Å | 1.51Å | |
| C15 | C23 | sing | 1.50Å | 1.51Å | |
| C24 | N43 | sing | 1.46Å | 1.48Å | |
| N43 | C16 | sing | 1.39Å | 1.43Å | |
| N43 | C27 | sing | 1.47Å | 1.47Å | |
| C23 | C27 | sing | 1.53Å | 1.51Å | |
| C16 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
| C28 | N46 | sing | 1.47Å | 1.50Å | |
| N46 | C34 | sing | 1.47Å | 1.49Å | |
| C9 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | H50 | sing | 1.08Å | 1.08Å | |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | H52 | sing | 1.08Å | 1.08Å | |
| C7 | H53 | sing | 1.08Å | 1.08Å | |
| C8 | H54 | sing | 1.08Å | 1.08Å | |
| C10 | H56 | sing | 1.08Å | 1.08Å | |
| C24 | H61 | sing | 1.09Å | 1.10Å | |
| C24 | H62 | sing | 1.09Å | 1.10Å | |
| C26 | H65 | sing | 1.09Å | 1.10Å | |
| C26 | H66 | sing | 1.09Å | 1.10Å | |
| C28 | H69 | sing | 1.09Å | 1.10Å | |
| C28 | H70 | sing | 1.09Å | 1.10Å | |
| C3 | H49 | sing | 1.08Å | 1.08Å | |
| C9 | H55 | sing | 1.08Å | 1.08Å | |
| C11 | H57 | sing | 1.08Å | 1.08Å | |
| C12 | H58 | sing | 1.08Å | 1.08Å | |
| C23 | H59 | sing | 1.09Å | 1.10Å | |
| C23 | H60 | sing | 1.09Å | 1.10Å | |
| C25 | H63 | sing | 1.09Å | 1.10Å | |
| C25 | H64 | sing | 1.09Å | 1.10Å | |
| C27 | H68 | sing | 1.09Å | 1.10Å | |
| C27 | H67 | sing | 1.09Å | 1.10Å | |
| C29 | H71 | sing | 1.09Å | 1.10Å | |
| C29 | H72 | sing | 1.09Å | 1.10Å | |
| C30 | H74 | sing | 1.09Å | 1.10Å | |
| C30 | H73 | sing | 1.09Å | 1.10Å | |
| C31 | H75 | sing | 1.09Å | 1.10Å | |
| C31 | H76 | sing | 1.09Å | 1.10Å | |
| C32 | H77 | sing | 1.09Å | 1.10Å | |
| C33 | H78 | sing | 1.09Å | 1.10Å | |
| C34 | H79 | sing | 1.09Å | 1.10Å | |
| C34 | H80 | sing | 1.09Å | 1.10Å | |
| C34 | H81 | sing | 1.09Å | 1.10Å | |
| C35 | H82 | sing | 1.09Å | 1.10Å | |
| C35 | H83 | sing | 1.09Å | 1.10Å | |
| C36 | H85 | sing | 1.09Å | 1.10Å | |
| C37 | H86 | sing | 1.09Å | 1.10Å | |
| C38 | H89 | sing | 1.09Å | 1.10Å | |
| C38 | H88 | sing | 1.09Å | 1.10Å | |
| C37 | F1 | sing | 1.40Å | 1.83Å | |
| C36 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N39 | C2 | C35 | 178.3° | 179.9° |
| C2 | C35 | C33 | 113.1° | 109.5° |
| C2 | C35 | H82 | 108.6° | 109.5° |
| C2 | C35 | H83 | 108.6° | 109.5° |
| O47 | C22 | C37 | 118.6° | 120.0° |
| O47 | C22 | N45 | 119.9° | 120.0° |
| C35 | C33 | N45 | 111.8° | 109.6° |
| C35 | C33 | C31 | 114.0° | 109.7° |
| C35 | C33 | H78 | 106.6° | 109.8° |
| C33 | C35 | H82 | 108.6° | 109.4° |
| C33 | C35 | H83 | 108.6° | 109.5° |
| C5 | C10 | C17 | 120.3° | 120.9° |
| C10 | C5 | C8 | 120.3° | 121.0° |
| C10 | C5 | H51 | 119.8° | 119.5° |
| C5 | C10 | H56 | 119.9° | 119.6° |
| C10 | C17 | CL1 | 115.3° | 120.2° |
| C10 | C17 | C14 | 122.9° | 119.6° |
| C17 | C10 | H56 | 119.8° | 119.5° |
| C5 | C8 | C13 | 120.8° | 119.7° |
| C8 | C5 | H51 | 119.9° | 119.5° |
| C5 | C8 | H54 | 119.6° | 120.2° |
| CL1 | C17 | C14 | 121.5° | 120.2° |
| C37 | C22 | N45 | 121.3° | 120.0° |
| C22 | C37 | C36 | 113.0° | 109.5° |
| C22 | C37 | H86 | 106.1° | 109.5° |
| C22 | C37 | F1 | 117.6° | 109.5° |
| C22 | N45 | C33 | 115.3° | 120.9° |
| C22 | N45 | C30 | 129.4° | 120.8° |
| C37 | C36 | C19 | 114.5° | 109.5° |
| C37 | C36 | H85 | 108.2° | 109.4° |
| C36 | C37 | H86 | 106.0° | 109.5° |
| C36 | C37 | F1 | 109.7° | 109.5° |
| C37 | C36 | H2 | 108.2° | 109.4° |
| N45 | C33 | C31 | 109.7° | 108.5° |
| C33 | N45 | C30 | 115.2° | 118.3° |
| N45 | C33 | H78 | 107.4° | 109.6° |
| C33 | C31 | N44 | 109.7° | 109.3° |
| C33 | C31 | H75 | 109.4° | 109.5° |
| C33 | C31 | H76 | 109.4° | 109.5° |
| C31 | C33 | H78 | 106.9° | 109.6° |
| C17 | C14 | C13 | 114.9° | 119.4° |
| C17 | C14 | C16 | 126.9° | 121.3° |
| N45 | C30 | C29 | 110.3° | 108.5° |
| N45 | C30 | H74 | 109.3° | 109.6° |
| N45 | C30 | H73 | 109.3° | 109.8° |
| C3 | C11 | C19 | 118.6° | 119.2° |
| C11 | C3 | C6 | 119.8° | 118.4° |
| C11 | C3 | H49 | 120.1° | 120.8° |
| C3 | C11 | H57 | 120.7° | 120.4° |
| C11 | C19 | C36 | 120.7° | 119.6° |
| C11 | C19 | N40 | 122.3° | 120.7° |
| C19 | C11 | H57 | 120.7° | 120.4° |
| C8 | C13 | C14 | 120.8° | 119.3° |
| C8 | C13 | C7 | 119.9° | 121.2° |
| C13 | C8 | H54 | 119.6° | 120.1° |
| C3 | C6 | C12 | 117.9° | 119.2° |
| C3 | C6 | H52 | 121.1° | 120.4° |
| C6 | C3 | H49 | 120.1° | 120.8° |
| C25 | C26 | C32 | 105.3° | 101.7° |
| C26 | C25 | C28 | 107.4° | 103.0° |
| C25 | C26 | H65 | 110.5° | 111.0° |
| C25 | C26 | H66 | 110.5° | 111.0° |
| C26 | C25 | H63 | 110.0° | 110.6° |
| C26 | C25 | H64 | 110.0° | 110.7° |
| C26 | C32 | C38 | 114.8° | 110.4° |
| C26 | C32 | N46 | 107.1° | 104.8° |
| C32 | C26 | H65 | 110.5° | 111.0° |
| C32 | C26 | H66 | 110.5° | 111.0° |
| C26 | C32 | H77 | 106.9° | 110.4° |
| C36 | C19 | N40 | 116.3° | 119.6° |
| C19 | C36 | H85 | 108.2° | 109.5° |
| C19 | C36 | H2 | 108.2° | 109.5° |
| C19 | N40 | C12 | 117.6° | 121.7° |
| C31 | N44 | C20 | 121.9° | 111.0° |
| C31 | N44 | C29 | 112.0° | 111.3° |
| N44 | C31 | H75 | 109.4° | 109.5° |
| N44 | C31 | H76 | 109.4° | 109.5° |
| C30 | C29 | N44 | 110.6° | 109.4° |
| C30 | C29 | H71 | 109.2° | 109.5° |
| C30 | C29 | H72 | 109.2° | 109.5° |
| C29 | C30 | H74 | 109.3° | 109.6° |
| C29 | C30 | H73 | 109.2° | 109.6° |
| C6 | C12 | N40 | 123.7° | 120.7° |
| C12 | C6 | H52 | 121.0° | 120.4° |
| C6 | C12 | H58 | 118.2° | 119.6° |
| C13 | C14 | C16 | 118.2° | 119.3° |
| C14 | C13 | C7 | 119.2° | 119.5° |
| C14 | C16 | N43 | 120.3° | 120.3° |
| C14 | C16 | C9 | 119.2° | 119.4° |
| N40 | C12 | H58 | 118.1° | 119.6° |
| C13 | C7 | C4 | 120.8° | 119.9° |
| C13 | C7 | H53 | 119.6° | 120.1° |
| C25 | C28 | N46 | 106.2° | 107.2° |
| C25 | C28 | H69 | 110.3° | 109.9° |
| C25 | C28 | H70 | 110.3° | 110.0° |
| C28 | C25 | H63 | 110.0° | 110.7° |
| C28 | C25 | H64 | 110.0° | 110.7° |
| O48 | C38 | C32 | 108.5° | 109.5° |
| C38 | O48 | C21 | 118.7° | 117.0° |
| O48 | C38 | H89 | 109.7° | 109.5° |
| O48 | C38 | H88 | 109.7° | 109.4° |
| C38 | C32 | N46 | 113.6° | 110.4° |
| C38 | C32 | H77 | 107.0° | 110.4° |
| C32 | C38 | H89 | 109.7° | 109.5° |
| C32 | C38 | H88 | 109.7° | 109.5° |
| O48 | C21 | N42 | 120.4° | 119.1° |
| O48 | C21 | N41 | 112.1° | 119.2° |
| C32 | N46 | C28 | 108.1° | 108.6° |
| C32 | N46 | C34 | 115.0° | 111.0° |
| N46 | C32 | H77 | 107.0° | 110.3° |
| N42 | C21 | N41 | 127.4° | 121.7° |
| C21 | N42 | C20 | 117.7° | 120.5° |
| C21 | N41 | C18 | 115.3° | 121.1° |
| N42 | C20 | N44 | 115.6° | 120.5° |
| N42 | C20 | C15 | 120.7° | 119.1° |
| N41 | C18 | C15 | 123.4° | 119.0° |
| N41 | C18 | C24 | 115.0° | 119.1° |
| N44 | C20 | C15 | 123.7° | 120.4° |
| C20 | N44 | C29 | 120.5° | 111.0° |
| C20 | C15 | C18 | 115.5° | 118.6° |
| C20 | C15 | C23 | 123.3° | 119.4° |
| N44 | C29 | H71 | 109.2° | 109.5° |
| N44 | C29 | H72 | 109.2° | 109.5° |
| C15 | C18 | C24 | 121.6° | 121.9° |
| C18 | C15 | C23 | 121.2° | 122.0° |
| C18 | C24 | N43 | 112.8° | 110.5° |
| C18 | C24 | H61 | 108.6° | 109.3° |
| C18 | C24 | H62 | 108.6° | 109.1° |
| C15 | C23 | C27 | 109.9° | 109.8° |
| C15 | C23 | H59 | 109.4° | 109.4° |
| C15 | C23 | H60 | 109.4° | 109.4° |
| C24 | N43 | C16 | 115.9° | 111.0° |
| C24 | N43 | C27 | 115.4° | 110.7° |
| N43 | C24 | H61 | 108.6° | 109.3° |
| N43 | C24 | H62 | 108.6° | 109.3° |
| C16 | N43 | C27 | 116.0° | 111.2° |
| N43 | C16 | C9 | 120.3° | 120.3° |
| N43 | C27 | C23 | 109.9° | 108.5° |
| N43 | C27 | H68 | 109.4° | 109.6° |
| N43 | C27 | H67 | 109.4° | 109.7° |
| C27 | C23 | H59 | 109.4° | 109.4° |
| C27 | C23 | H60 | 109.4° | 109.4° |
| C23 | C27 | H68 | 109.4° | 109.7° |
| C23 | C27 | H67 | 109.4° | 109.6° |
| C16 | C9 | C4 | 121.5° | 120.8° |
| C16 | C9 | H55 | 119.3° | 119.6° |
| C7 | C4 | C9 | 120.9° | 121.1° |
| C7 | C4 | H50 | 119.5° | 119.5° |
| C4 | C7 | H53 | 119.6° | 120.0° |
| C28 | N46 | C34 | 113.1° | 111.0° |
| N46 | C28 | H69 | 110.3° | 109.9° |
| N46 | C28 | H70 | 110.3° | 109.9° |
| N46 | C34 | H79 | 109.5° | 109.5° |
| N46 | C34 | H80 | 109.5° | 109.5° |
| N46 | C34 | H81 | 109.5° | 109.5° |
| C9 | C4 | H50 | 119.5° | 119.4° |
| C4 | C9 | H55 | 119.3° | 119.6° |
| H61 | C24 | H62 | 109.5° | 109.4° |
| H65 | C26 | H66 | 109.5° | 110.9° |
| H69 | C28 | H70 | 109.4° | 109.9° |
| H59 | C23 | H60 | 109.4° | 109.3° |
| H63 | C25 | H64 | 109.5° | 110.8° |
| H68 | C27 | H67 | 109.5° | 109.6° |
| H71 | C29 | H72 | 109.5° | 109.5° |
| H74 | C30 | H73 | 109.5° | 109.7° |
| H75 | C31 | H76 | 109.5° | 109.5° |
| H79 | C34 | H80 | 109.5° | 109.5° |
| H79 | C34 | H81 | 109.4° | 109.5° |
| H80 | C34 | H81 | 109.4° | 109.5° |
| H82 | C35 | H83 | 109.5° | 109.4° |
| H85 | C36 | H2 | 109.5° | 109.6° |
| H86 | C37 | F1 | 103.2° | 109.4° |
| H89 | C38 | H88 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N39 | C2 | C35 | C33 | 160.4° | 175.2° |
| N39 | C2 | C35 | H82 | 39.9° | 64.8° |
| N39 | C2 | C35 | H83 | 79.1° | 55.2° |
| C2 | C35 | C33 | H82 | 120.5° | 120.0° |
| C2 | C35 | C33 | H83 | 120.5° | 120.0° |
| C2 | C35 | C33 | N45 | 170.0° | 78.3° |
| C2 | C35 | C33 | C31 | 64.9° | 162.6° |
| C2 | C35 | C33 | H78 | 52.8° | 42.2° |
| C2 | C35 | H82 | H83 | 118.4° | 120.1° |
| O47 | C22 | C37 | N45 | 175.5° | 180.0° |
| O47 | C22 | C37 | C36 | 101.4° | 43.6° |
| O47 | C22 | N45 | C33 | 4.1° | 5.4° |
| O47 | C22 | N45 | C30 | 179.3° | 174.6° |
| O47 | C22 | C37 | H86 | 14.3° | 163.6° |
| O47 | C22 | C37 | F1 | 129.2° | 76.4° |
| C35 | C33 | N45 | C22 | 101.4° | 9.1° |
| C35 | C33 | N45 | C31 | 127.5° | 119.8° |
| C35 | C33 | N45 | H78 | 116.6° | 120.6° |
| C35 | C33 | C31 | H78 | 117.5° | 120.6° |
| C35 | C33 | N45 | C30 | 74.6° | 170.9° |
| C35 | C33 | C31 | N44 | 71.0° | 173.5° |
| C35 | C33 | C31 | H75 | 169.0° | 66.5° |
| C35 | C33 | C31 | H76 | 49.0° | 53.6° |
| C33 | C35 | H82 | H83 | 118.4° | 120.0° |
| C5 | C10 | C17 | H56 | 180.0° | 179.9° |
| C10 | C5 | C8 | H51 | 180.0° | 180.0° |
| C5 | C10 | C17 | CL1 | 171.0° | 180.0° |
| C5 | C10 | C17 | C14 | 2.1° | 0.1° |
| C10 | C5 | C8 | C13 | 1.3° | 0.0° |
| C10 | C5 | C8 | H54 | 178.6° | 179.9° |
| C17 | C10 | C5 | C8 | 1.4° | 0.1° |
| C10 | C17 | CL1 | C14 | 173.2° | 179.9° |
| C10 | C17 | C14 | C13 | 2.5° | 0.0° |
| C10 | C17 | C14 | C16 | 178.5° | 179.7° |
| C17 | C10 | C5 | H51 | 178.6° | 179.9° |
| C5 | C8 | C13 | H54 | 180.0° | 179.9° |
| C5 | C8 | C13 | C14 | 1.9° | 0.0° |
| C5 | C8 | C13 | C7 | 176.0° | 180.0° |
| C8 | C5 | C10 | H56 | 178.6° | 180.0° |
| CL1 | C17 | C14 | C13 | 170.2° | 179.9° |
| CL1 | C17 | C14 | C16 | 8.8° | 0.2° |
| CL1 | C17 | C10 | H56 | 9.0° | 0.1° |
| C22 | C37 | C36 | H86 | 115.8° | 120.0° |
| C22 | C37 | C36 | F1 | 133.4° | 120.0° |
| C37 | C22 | N45 | C33 | 171.3° | 174.7° |
| C37 | C22 | N45 | C30 | 3.9° | 5.4° |
| C22 | C37 | C36 | C19 | 165.2° | 175.0° |
| C22 | C37 | C36 | H85 | 44.5° | 65.0° |
| C22 | C37 | H86 | F1 | 124.3° | 120.0° |
| C22 | C37 | C36 | H2 | 74.0° | 55.0° |
| N45 | C22 | C37 | C36 | 83.1° | 136.5° |
| C22 | N45 | C33 | C30 | 175.9° | 180.0° |
| C22 | N45 | C33 | C31 | 131.1° | 128.9° |
| C22 | N45 | C30 | C29 | 133.3° | 128.9° |
| C22 | N45 | C30 | H74 | 106.6° | 111.5° |
| C22 | N45 | C30 | H73 | 13.2° | 9.1° |
| C22 | N45 | C33 | H78 | 15.2° | 111.5° |
| N45 | C22 | C37 | H86 | 161.1° | 16.4° |
| N45 | C22 | C37 | F1 | 46.3° | 103.5° |
| C37 | C36 | C19 | C11 | 96.4° | 125.0° |
| C37 | C36 | C19 | H85 | 120.8° | 120.0° |
| C37 | C36 | C19 | H2 | 120.7° | 119.9° |
| C37 | C36 | C19 | N40 | 93.1° | 55.3° |
| C37 | C36 | H85 | H2 | 117.7° | 120.0° |
| C36 | C37 | H86 | F1 | 115.3° | 120.0° |
| N45 | C33 | C31 | H78 | 116.2° | 119.7° |
| N45 | C33 | C31 | N44 | 55.3° | 53.8° |
| C33 | N45 | C30 | C29 | 51.5° | 51.2° |
| C33 | N45 | C30 | H74 | 68.6° | 68.5° |
| C33 | N45 | C30 | H73 | 171.6° | 171.0° |
| N45 | C33 | C31 | H75 | 64.7° | 173.8° |
| N45 | C33 | C31 | H76 | 175.3° | 66.1° |
| N45 | C33 | C35 | H82 | 69.5° | 161.6° |
| N45 | C33 | C35 | H83 | 49.4° | 41.7° |
| C31 | C33 | N45 | C30 | 52.9° | 51.2° |
| C33 | C31 | N44 | H75 | 120.0° | 120.0° |
| C33 | C31 | N44 | H76 | 120.0° | 119.9° |
| C33 | C31 | N44 | C20 | 93.3° | 172.8° |
| C33 | C31 | N44 | C29 | 60.3° | 63.1° |
| C33 | C31 | H75 | H76 | 119.9° | 120.0° |
| C31 | C33 | C35 | H82 | 55.7° | 42.6° |
| C31 | C33 | C35 | H83 | 174.6° | 77.4° |
| C17 | C14 | C13 | C8 | 2.4° | 0.0° |
| C17 | C14 | C13 | C16 | 179.0° | 179.7° |
| C17 | C14 | C13 | C7 | 175.6° | 180.0° |
| C17 | C14 | C16 | N43 | 9.6° | 0.0° |
| C17 | C14 | C16 | C9 | 175.3° | 180.0° |
| C14 | C17 | C10 | H56 | 177.9° | 180.0° |
| N45 | C30 | C29 | H74 | 120.1° | 119.7° |
| N45 | C30 | C29 | H73 | 120.1° | 119.9° |
| N45 | C30 | C29 | N44 | 52.6° | 53.9° |
| N45 | C30 | C29 | H71 | 172.7° | 66.1° |
| N45 | C30 | C29 | H72 | 67.6° | 173.8° |
| N45 | C30 | H74 | H73 | 119.6° | 120.6° |
| C30 | N45 | C33 | H78 | 168.8° | 68.5° |
| C3 | C11 | C19 | H57 | 180.0° | 179.9° |
| C11 | C3 | C6 | H49 | 180.0° | 180.0° |
| C3 | C11 | C19 | C36 | 169.5° | 180.0° |
| C3 | C11 | C19 | N40 | 0.4° | 0.3° |
| C11 | C3 | C6 | C12 | 0.1° | 0.0° |
| C11 | C3 | C6 | H52 | 179.9° | 179.7° |
| C19 | C11 | C3 | C6 | 0.2° | 0.0° |
| C11 | C19 | C36 | N40 | 170.5° | 179.7° |
| C11 | C19 | N40 | C12 | 0.5° | 0.5° |
| C19 | C11 | C3 | H49 | 179.8° | 180.0° |
| C11 | C19 | C36 | H85 | 24.3° | 115.1° |
| C11 | C19 | C36 | H2 | 142.8° | 5.0° |
| C8 | C13 | C14 | C7 | 178.0° | 180.0° |
| C8 | C13 | C14 | C16 | 178.6° | 179.7° |
| C8 | C13 | C7 | C4 | 179.8° | 180.0° |
| C13 | C8 | C5 | H51 | 178.7° | 180.0° |
| C8 | C13 | C7 | H53 | 0.2° | 0.0° |
| C3 | C6 | C12 | H52 | 180.0° | 179.7° |
| C3 | C6 | C12 | N40 | 0.3° | 0.3° |
| C6 | C3 | C11 | H57 | 179.8° | 180.0° |
| C3 | C6 | C12 | H58 | 179.8° | 179.6° |
| C25 | C26 | C32 | H65 | 119.3° | 118.1° |
| C25 | C26 | C32 | H66 | 119.3° | 118.1° |
| C26 | C25 | C28 | H63 | 119.7° | 118.3° |
| C26 | C25 | C28 | H64 | 119.7° | 118.4° |
| C25 | C26 | C32 | C38 | 114.7° | 155.9° |
| C25 | C26 | C32 | N46 | 12.4° | 37.0° |
| C26 | C25 | C28 | N46 | 24.3° | 22.3° |
| C25 | C26 | H65 | H66 | 121.9° | 123.9° |
| C26 | C25 | C28 | H69 | 143.8° | 97.1° |
| C26 | C25 | C28 | H70 | 95.2° | 141.8° |
| C26 | C25 | H63 | H64 | 121.0° | 123.2° |
| C25 | C26 | C32 | H77 | 126.9° | 81.7° |
| C32 | C26 | C25 | C28 | 22.7° | 35.7° |
| C26 | C32 | C38 | O48 | 55.7° | 175.0° |
| C26 | C32 | C38 | N46 | 123.7° | 115.4° |
| C26 | C32 | C38 | H77 | 118.4° | 122.3° |
| C26 | C32 | N46 | H77 | 114.4° | 118.8° |
| C26 | C32 | N46 | C28 | 2.3° | 24.0° |
| C26 | C32 | N46 | C34 | 129.8° | 146.4° |
| C32 | C26 | H65 | H66 | 121.9° | 123.8° |
| C32 | C26 | C25 | H63 | 96.9° | 154.0° |
| C32 | C26 | C25 | H64 | 142.4° | 82.7° |
| C26 | C32 | C38 | H89 | 64.1° | 55.0° |
| C26 | C32 | C38 | H88 | 175.6° | 65.0° |
| C36 | C19 | N40 | C12 | 169.8° | 179.7° |
| C36 | C19 | C11 | H57 | 10.5° | 0.1° |
| C19 | C36 | H85 | H2 | 117.7° | 120.1° |
| C19 | C36 | C37 | H86 | 49.5° | 55.0° |
| C19 | C36 | C37 | F1 | 61.4° | 65.0° |
| C19 | N40 | C12 | C6 | 0.5° | 0.5° |
| N40 | C19 | C11 | H57 | 179.6° | 179.7° |
| C19 | N40 | C12 | H58 | 179.6° | 179.3° |
| N40 | C19 | C36 | H85 | 146.2° | 64.7° |
| N40 | C19 | C36 | H2 | 27.7° | 175.2° |
| C31 | N44 | C29 | C30 | 59.0° | 63.1° |
| C31 | N44 | C20 | N42 | 127.2° | 55.1° |
| C31 | N44 | C20 | C29 | 151.4° | 124.3° |
| C31 | N44 | C20 | C15 | 52.0° | 124.9° |
| C31 | N44 | C29 | H71 | 179.1° | 56.8° |
| C31 | N44 | C29 | H72 | 61.2° | 176.9° |
| N44 | C31 | H75 | H76 | 119.9° | 120.1° |
| N44 | C31 | C33 | H78 | 171.5° | 65.9° |
| C30 | C29 | N44 | C20 | 95.0° | 172.8° |
| C30 | C29 | N44 | H71 | 120.2° | 120.0° |
| C30 | C29 | N44 | H72 | 120.2° | 119.9° |
| C30 | C29 | H71 | H72 | 119.5° | 120.0° |
| C29 | C30 | H74 | H73 | 119.6° | 120.4° |
| C6 | C12 | N40 | H58 | 180.0° | 179.9° |
| C12 | C6 | C3 | H49 | 179.9° | 180.0° |
| C13 | C14 | C16 | N43 | 171.5° | 179.7° |
| C13 | C14 | C16 | C9 | 3.6° | 0.3° |
| C14 | C13 | C7 | C4 | 1.8° | 0.0° |
| C14 | C13 | C7 | H53 | 178.2° | 180.0° |
| C14 | C13 | C8 | H54 | 178.1° | 179.9° |
| C16 | C14 | C13 | C7 | 3.5° | 0.3° |
| C14 | C16 | N43 | C24 | 73.4° | 116.0° |
| C14 | C16 | N43 | C9 | 175.1° | 180.0° |
| C14 | C16 | N43 | C27 | 146.4° | 120.3° |
| C14 | C16 | C9 | C4 | 2.2° | 0.0° |
| C14 | C16 | C9 | H55 | 177.8° | 180.0° |
| N40 | C12 | C6 | H52 | 179.7° | 180.0° |
| C13 | C7 | C4 | H53 | 180.0° | 180.0° |
| C13 | C7 | C4 | C9 | 0.2° | 0.3° |
| C13 | C7 | C4 | H50 | 179.8° | 179.9° |
| C7 | C13 | C8 | H54 | 4.0° | 0.1° |
| C25 | C28 | N46 | C32 | 16.3° | 0.9° |
| C25 | C28 | N46 | H69 | 119.5° | 119.4° |
| C25 | C28 | N46 | H70 | 119.5° | 119.5° |
| C25 | C28 | N46 | C34 | 145.0° | 123.2° |
| C28 | C25 | C26 | H65 | 96.6° | 153.7° |
| C28 | C25 | C26 | H66 | 142.0° | 82.4° |
| C25 | C28 | H69 | H70 | 121.5° | 121.2° |
| C28 | C25 | H63 | H64 | 120.9° | 123.3° |
| O48 | C38 | C32 | H89 | 119.8° | 120.0° |
| O48 | C38 | C32 | H88 | 119.8° | 120.0° |
| O48 | C38 | C32 | N46 | 68.0° | 69.6° |
| C38 | O48 | C21 | N42 | 5.4° | 180.0° |
| C38 | O48 | C21 | N41 | 177.5° | 0.2° |
| O48 | C38 | C32 | H77 | 174.2° | 52.7° |
| O48 | C38 | H89 | H88 | 120.4° | 120.0° |
| C32 | C38 | O48 | C21 | 175.6° | 180.0° |
| C38 | C32 | N46 | H77 | 117.8° | 122.3° |
| C38 | C32 | N46 | C28 | 130.1° | 142.9° |
| C38 | C32 | N46 | C34 | 102.4° | 94.8° |
| C38 | C32 | C26 | H65 | 126.0° | 86.0° |
| C38 | C32 | C26 | H66 | 4.7° | 37.8° |
| C32 | C38 | H89 | H88 | 120.5° | 120.0° |
| O48 | C21 | N42 | N41 | 176.7° | 179.8° |
| O48 | C21 | N42 | C20 | 176.1° | 180.0° |
| O48 | C21 | N41 | C18 | 176.3° | 180.0° |
| C21 | O48 | C38 | H89 | 64.5° | 60.0° |
| C21 | O48 | C38 | H88 | 55.8° | 60.0° |
| C32 | N46 | C28 | C34 | 128.6° | 122.3° |
| N46 | C32 | C26 | H65 | 106.9° | 155.1° |
| N46 | C32 | C26 | H66 | 131.7° | 81.1° |
| C32 | N46 | C28 | H69 | 135.8° | 120.4° |
| C32 | N46 | C28 | H70 | 103.2° | 118.6° |
| C32 | N46 | C34 | H79 | 180.0° | 60.7° |
| C32 | N46 | C34 | H80 | 60.0° | 59.2° |
| C32 | N46 | C34 | H81 | 60.0° | 179.3° |
| N46 | C32 | C38 | H89 | 172.2° | 170.4° |
| N46 | C32 | C38 | H88 | 51.9° | 50.4° |
| N42 | C21 | N41 | C18 | 0.6° | 0.2° |
| C21 | N42 | C20 | N44 | 179.0° | 180.0° |
| C21 | N42 | C20 | C15 | 0.2° | 0.0° |
| N41 | C21 | N42 | C20 | 0.5° | 0.2° |
| C21 | N41 | C18 | C15 | 0.0° | 0.1° |
| C21 | N41 | C18 | C24 | 177.9° | 179.8° |
| N42 | C20 | N44 | C15 | 179.2° | 180.0° |
| N42 | C20 | N44 | C29 | 24.2° | 69.2° |
| N42 | C20 | C15 | C18 | 0.7° | 0.2° |
| N42 | C20 | C15 | C23 | 175.9° | 179.8° |
| N41 | C18 | C15 | C20 | 0.7° | 0.1° |
| N41 | C18 | C15 | C24 | 177.7° | 179.9° |
| N41 | C18 | C15 | C23 | 176.1° | 179.8° |
| N41 | C18 | C24 | N43 | 179.4° | 163.2° |
| N41 | C18 | C24 | H61 | 58.9° | 42.9° |
| N41 | C18 | C24 | H62 | 60.1° | 76.7° |
| N44 | C20 | C15 | C18 | 178.4° | 179.8° |
| N44 | C20 | C15 | C23 | 4.9° | 0.2° |
| C20 | N44 | C29 | H71 | 25.1° | 67.3° |
| C20 | N44 | C29 | H72 | 144.8° | 52.8° |
| C20 | N44 | C31 | H75 | 146.7° | 52.8° |
| C20 | N44 | C31 | H76 | 26.7° | 67.3° |
| C15 | C20 | N44 | C29 | 156.6° | 110.9° |
| C20 | C15 | C18 | C23 | 176.8° | 179.7° |
| C20 | C15 | C18 | C24 | 178.4° | 180.0° |
| C20 | C15 | C23 | C27 | 152.3° | 163.3° |
| C20 | C15 | C23 | H59 | 32.2° | 43.2° |
| C20 | C15 | C23 | H60 | 87.6° | 76.5° |
| N44 | C29 | H71 | H72 | 119.5° | 120.1° |
| N44 | C29 | C30 | H74 | 67.6° | 65.8° |
| N44 | C29 | C30 | H73 | 172.7° | 173.8° |
| C29 | N44 | C31 | H75 | 59.8° | 176.9° |
| C29 | N44 | C31 | H76 | 179.7° | 56.8° |
| C15 | C18 | C24 | N43 | 2.7° | 17.0° |
| C18 | C15 | C23 | C27 | 24.2° | 17.0° |
| C15 | C18 | C24 | H61 | 123.2° | 137.3° |
| C15 | C18 | C24 | H62 | 117.8° | 103.2° |
| C18 | C15 | C23 | H59 | 144.3° | 137.1° |
| C18 | C15 | C23 | H60 | 95.9° | 103.1° |
| C24 | C18 | C15 | C23 | 1.6° | 0.4° |
| C18 | C24 | N43 | H61 | 120.5° | 120.3° |
| C18 | C24 | N43 | H62 | 120.5° | 120.0° |
| C18 | C24 | N43 | C16 | 175.4° | 175.9° |
| C18 | C24 | N43 | C27 | 34.9° | 51.8° |
| C18 | C24 | H61 | H62 | 118.5° | 119.3° |
| C15 | C23 | C27 | N43 | 54.0° | 50.2° |
| C15 | C23 | C27 | H59 | 120.1° | 120.1° |
| C15 | C23 | C27 | H60 | 120.1° | 120.2° |
| C15 | C23 | H59 | H60 | 119.8° | 119.8° |
| C15 | C23 | C27 | H68 | 174.1° | 69.6° |
| C15 | C23 | C27 | H67 | 66.0° | 170.0° |
| C24 | N43 | C16 | C27 | 140.2° | 123.7° |
| C24 | N43 | C27 | C23 | 62.4° | 70.8° |
| C24 | N43 | C16 | C9 | 101.7° | 64.0° |
| N43 | C24 | H61 | H62 | 118.5° | 119.6° |
| C24 | N43 | C27 | H68 | 177.5° | 49.0° |
| C24 | N43 | C27 | H67 | 57.6° | 169.5° |
| C16 | N43 | C27 | C23 | 157.2° | 165.4° |
| N43 | C16 | C9 | C4 | 173.0° | 180.0° |
| C16 | N43 | C24 | H61 | 64.1° | 63.9° |
| C16 | N43 | C24 | H62 | 54.9° | 55.8° |
| N43 | C16 | C9 | H55 | 7.0° | 0.1° |
| C16 | N43 | C27 | H68 | 37.1° | 74.8° |
| C16 | N43 | C27 | H67 | 82.8° | 45.6° |
| N43 | C27 | C23 | H68 | 120.1° | 119.8° |
| N43 | C27 | C23 | H67 | 120.1° | 119.8° |
| C27 | N43 | C16 | C9 | 38.5° | 59.7° |
| C27 | N43 | C24 | H61 | 155.4° | 172.1° |
| C27 | N43 | C24 | H62 | 85.5° | 68.2° |
| N43 | C27 | C23 | H59 | 174.1° | 170.3° |
| N43 | C27 | C23 | H60 | 66.1° | 70.0° |
| N43 | C27 | H68 | H67 | 119.8° | 120.5° |
| C27 | C23 | H59 | H60 | 119.8° | 119.8° |
| C23 | C27 | H68 | H67 | 119.8° | 120.4° |
| C16 | C9 | C4 | C7 | 0.4° | 0.3° |
| C16 | C9 | C4 | H55 | 180.0° | 180.0° |
| C16 | C9 | C4 | H50 | 179.6° | 179.9° |
| C7 | C4 | C9 | H50 | 180.0° | 179.7° |
| C7 | C4 | C9 | H55 | 179.6° | 179.8° |
| N46 | C28 | H69 | H70 | 121.5° | 121.0° |
| N46 | C28 | C25 | H63 | 95.4° | 140.6° |
| N46 | C28 | C25 | H64 | 144.0° | 96.1° |
| C28 | N46 | C32 | H77 | 112.1° | 94.8° |
| C28 | N46 | C34 | H79 | 55.0° | 60.1° |
| C28 | N46 | C34 | H80 | 65.0° | 179.9° |
| C28 | N46 | C34 | H81 | 175.0° | 59.9° |
| C34 | N46 | C28 | H69 | 95.5° | 117.3° |
| C34 | N46 | C28 | H70 | 25.5° | 3.7° |
| C34 | N46 | C32 | H77 | 15.4° | 27.5° |
| N46 | C34 | H79 | H80 | 120.1° | 120.0° |
| N46 | C34 | H79 | H81 | 120.0° | 120.0° |
| N46 | C34 | H80 | H81 | 120.0° | 120.0° |
| C9 | C4 | C7 | H53 | 179.8° | 179.7° |
| H50 | C4 | C7 | H53 | 0.2° | 0.1° |
| H50 | C4 | C9 | H55 | 0.4° | 0.1° |
| H51 | C5 | C8 | H54 | 1.4° | 0.1° |
| H51 | C5 | C10 | H56 | 1.4° | 0.0° |
| H52 | C6 | C3 | H49 | 0.1° | 0.3° |
| H52 | C6 | C12 | H58 | 0.3° | 0.1° |
| H65 | C26 | C25 | H63 | 143.7° | 87.9° |
| H65 | C26 | C25 | H64 | 23.0° | 35.3° |
| H65 | C26 | C32 | H77 | 7.5° | 36.3° |
| H66 | C26 | C25 | H63 | 22.4° | 35.9° |
| H66 | C26 | C25 | H64 | 98.3° | 159.2° |
| H66 | C26 | C32 | H77 | 113.8° | 160.2° |
| H69 | C28 | C25 | H63 | 24.1° | 21.2° |
| H69 | C28 | C25 | H64 | 96.5° | 144.5° |
| H70 | C28 | C25 | H63 | 145.1° | 99.9° |
| H70 | C28 | C25 | H64 | 24.5° | 23.4° |
| H49 | C3 | C11 | H57 | 0.2° | 0.0° |
| H59 | C23 | C27 | H68 | 65.8° | 50.5° |
| H59 | C23 | C27 | H67 | 54.0° | 69.9° |
| H60 | C23 | C27 | H68 | 54.0° | 170.2° |
| H60 | C23 | C27 | H67 | 173.9° | 49.8° |
| H71 | C29 | C30 | H74 | 52.6° | 174.2° |
| H71 | C29 | C30 | H73 | 67.1° | 53.8° |
| H72 | C29 | C30 | H74 | 172.2° | 54.1° |
| H72 | C29 | C30 | H73 | 52.5° | 66.3° |
| H75 | C31 | C33 | H78 | 51.5° | 54.1° |
| H76 | C31 | C33 | H78 | 68.5° | 174.2° |
| H77 | C32 | C38 | H89 | 54.3° | 67.3° |
| H77 | C32 | C38 | H88 | 66.0° | 172.6° |
| H78 | C33 | C35 | H82 | 173.4° | 77.9° |
| H78 | C33 | C35 | H83 | 67.7° | 162.2° |
| H79 | C34 | H80 | H81 | 119.9° | 120.0° |
| H85 | C36 | C37 | H86 | 71.3° | 174.9° |
| H85 | C36 | C37 | F1 | 177.9° | 55.0° |
| H86 | C37 | C36 | H2 | 170.2° | 65.0° |
| F1 | C37 | C36 | H2 | 59.4° | 175.1° |
