1T5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N37 | C25 | doub | 1.30Å | 1.32Å | |
| N39 | C25 | sing | 1.38Å | 1.41Å | |
| C25 | C18 | sing | 1.48Å | 1.52Å | |
| C18 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C31 | sing | 1.51Å | 1.53Å | |
| C3 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C31 | sing | 1.51Å | 1.54Å | |
| C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N38 | sing | 1.40Å | 1.40Å | |
| C31 | C29 | sing | 1.52Å | 1.55Å | |
| N38 | C30 | sing | 1.47Å | 1.49Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C21 | sing | 1.51Å | 1.52Å | |
| O43 | C27 | doub | 1.21Å | 1.19Å | |
| C21 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | O45 | sing | 1.35Å | 1.30Å | |
| C27 | C19 | sing | 1.48Å | 1.48Å | |
| C16 | C15 | sing | 1.48Å | 1.49Å | |
| C16 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N41 | sing | 1.40Å | 1.42Å | |
| C15 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| N41 | C28 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C26 | sing | 1.48Å | 1.50Å | |
| C35 | C28 | sing | 1.51Å | 1.51Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C28 | O44 | doub | 1.21Å | 1.23Å | |
| N40 | C26 | sing | 1.35Å | 1.34Å | |
| C26 | O42 | doub | 1.22Å | 1.22Å | |
| C36 | C33 | sing | 1.53Å | 1.51Å | |
| C36 | C34 | sing | 1.53Å | 1.52Å | |
| C1 | H46 | sing | 1.08Å | 1.08Å | |
| C2 | H47 | sing | 1.08Å | 1.08Å | |
| C3 | H48 | sing | 1.08Å | 1.08Å | |
| C4 | H49 | sing | 1.08Å | 1.08Å | |
| C5 | H50 | sing | 1.08Å | 1.08Å | |
| C6 | H51 | sing | 1.08Å | 1.08Å | |
| C7 | H52 | sing | 1.08Å | 1.08Å | |
| C8 | H53 | sing | 1.08Å | 1.08Å | |
| C9 | H54 | sing | 1.08Å | 1.08Å | |
| C10 | H55 | sing | 1.08Å | 1.08Å | |
| C11 | H56 | sing | 1.08Å | 1.08Å | |
| C12 | H57 | sing | 1.08Å | 1.08Å | |
| C13 | H58 | sing | 1.08Å | 1.08Å | |
| C14 | H59 | sing | 1.08Å | 1.08Å | |
| C29 | H60 | sing | 1.09Å | 1.10Å | |
| C29 | H61 | sing | 1.09Å | 1.10Å | |
| C30 | H62 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H65 | sing | 1.09Å | 1.10Å | |
| C33 | H68 | sing | 1.09Å | 1.10Å | |
| C33 | H67 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H70 | sing | 1.09Å | 1.10Å | |
| C34 | H69 | sing | 1.09Å | 1.10Å | |
| C34 | H71 | sing | 1.09Å | 1.10Å | |
| C35 | H73 | sing | 1.09Å | 1.10Å | |
| C35 | H72 | sing | 1.09Å | 1.10Å | |
| C36 | H74 | sing | 1.09Å | 1.10Å | |
| N37 | H75 | sing | 0.97Å | 1.00Å | |
| N38 | H76 | sing | 0.97Å | 1.00Å | |
| N39 | H78 | sing | 0.97Å | 1.00Å | |
| N40 | H79 | sing | 0.97Å | 1.00Å | |
| N40 | H80 | sing | 0.97Å | 1.00Å | |
| N41 | H81 | sing | 0.97Å | 1.00Å | |
| O45 | H82 | sing | 0.97Å | 0.95Å | |
| N39 | H77 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N37 | C25 | N39 | 119.7° | 120.0° |
| N37 | C25 | C18 | 119.6° | 120.1° |
| C25 | N37 | H75 | 112.0° | 120.0° |
| N39 | C25 | C18 | 119.8° | 120.0° |
| C25 | N39 | H78 | 120.0° | 120.0° |
| C25 | N39 | H77 | 120.0° | 120.0° |
| C25 | C18 | C6 | 123.1° | 120.1° |
| C25 | C18 | C13 | 117.5° | 120.0° |
| C6 | C18 | C13 | 118.9° | 119.9° |
| C18 | C6 | C9 | 120.9° | 119.8° |
| C18 | C6 | H51 | 119.5° | 120.2° |
| C18 | C13 | C22 | 121.0° | 120.2° |
| C18 | C13 | H58 | 119.5° | 119.9° |
| C6 | C9 | C23 | 120.1° | 120.2° |
| C9 | C6 | H51 | 119.5° | 120.1° |
| C6 | C9 | H54 | 119.9° | 119.9° |
| C13 | C22 | C23 | 119.4° | 119.7° |
| C13 | C22 | C31 | 118.6° | 118.8° |
| C22 | C13 | H58 | 119.5° | 119.9° |
| C9 | C23 | C22 | 119.5° | 120.2° |
| C9 | C23 | N38 | 119.5° | 119.0° |
| C23 | C9 | H54 | 119.9° | 119.9° |
| C23 | C22 | C31 | 121.7° | 121.5° |
| C22 | C23 | N38 | 121.0° | 120.8° |
| C22 | C31 | C32 | 108.2° | 109.3° |
| C22 | C31 | C20 | 112.6° | 109.3° |
| C22 | C31 | C29 | 109.3° | 110.6° |
| C8 | C3 | C1 | 120.4° | 120.0° |
| C3 | C8 | C20 | 120.8° | 120.0° |
| C8 | C3 | H48 | 119.8° | 120.1° |
| C3 | C8 | H53 | 119.6° | 120.0° |
| C3 | C1 | C2 | 119.6° | 120.0° |
| C3 | C1 | H46 | 120.2° | 120.0° |
| C1 | C3 | H48 | 119.8° | 120.0° |
| C8 | C20 | C7 | 117.8° | 120.0° |
| C8 | C20 | C31 | 121.7° | 120.0° |
| C20 | C8 | H53 | 119.6° | 120.0° |
| C32 | C31 | C20 | 111.4° | 109.3° |
| C32 | C31 | C29 | 112.3° | 108.4° |
| C31 | C32 | H64 | 109.5° | 109.4° |
| C31 | C32 | H63 | 109.5° | 109.5° |
| C31 | C32 | H65 | 109.4° | 109.5° |
| C1 | C2 | C7 | 120.3° | 120.0° |
| C2 | C1 | H46 | 120.2° | 120.0° |
| C1 | C2 | H47 | 119.8° | 120.0° |
| C7 | C20 | C31 | 119.8° | 120.0° |
| C20 | C7 | C2 | 121.0° | 120.0° |
| C20 | C7 | H52 | 119.5° | 120.0° |
| C20 | C31 | C29 | 103.1° | 109.9° |
| C7 | C2 | H47 | 119.8° | 120.0° |
| C2 | C7 | H52 | 119.5° | 120.0° |
| C23 | N38 | C30 | 121.9° | 119.0° |
| C23 | N38 | H76 | 106.3° | 120.5° |
| C31 | C29 | C30 | 112.8° | 109.1° |
| C31 | C29 | H60 | 108.6° | 109.5° |
| C31 | C29 | H61 | 108.6° | 109.5° |
| N38 | C30 | C29 | 111.6° | 107.8° |
| N38 | C30 | C21 | 114.8° | 110.0° |
| N38 | C30 | H62 | 107.5° | 109.6° |
| C30 | N38 | H76 | 106.3° | 120.6° |
| C29 | C30 | C21 | 108.3° | 109.8° |
| C30 | C29 | H60 | 108.6° | 109.6° |
| C30 | C29 | H61 | 108.6° | 109.6° |
| C29 | C30 | H62 | 107.0° | 109.8° |
| C30 | C21 | C10 | 121.7° | 119.9° |
| C30 | C21 | C14 | 120.0° | 119.9° |
| C21 | C30 | H62 | 107.2° | 109.8° |
| O43 | C27 | O45 | 122.7° | 120.0° |
| O43 | C27 | C19 | 119.6° | 120.0° |
| C10 | C21 | C14 | 118.0° | 120.2° |
| C21 | C10 | C16 | 121.7° | 120.0° |
| C21 | C10 | H55 | 119.1° | 120.0° |
| C21 | C14 | C24 | 121.5° | 120.3° |
| C21 | C14 | H59 | 119.3° | 119.9° |
| C10 | C16 | C15 | 120.0° | 120.1° |
| C10 | C16 | C11 | 119.1° | 119.8° |
| C16 | C10 | H55 | 119.1° | 120.0° |
| C14 | C24 | C11 | 119.6° | 119.9° |
| C14 | C24 | N41 | 113.5° | 120.1° |
| C24 | C14 | H59 | 119.3° | 119.9° |
| O45 | C27 | C19 | 117.7° | 120.0° |
| C27 | O45 | H82 | 109.5° | 117.0° |
| C27 | C19 | C15 | 123.3° | 120.2° |
| C27 | C19 | C12 | 115.8° | 120.1° |
| C15 | C16 | C11 | 120.6° | 120.1° |
| C16 | C15 | C19 | 123.0° | 120.1° |
| C16 | C15 | C4 | 118.6° | 120.0° |
| C16 | C11 | C24 | 119.9° | 119.8° |
| C16 | C11 | H56 | 120.1° | 120.1° |
| C15 | C19 | C12 | 120.8° | 119.7° |
| C19 | C15 | C4 | 118.3° | 119.9° |
| C19 | C12 | C17 | 119.9° | 119.8° |
| C19 | C12 | H57 | 120.0° | 120.2° |
| C11 | C24 | N41 | 125.2° | 120.0° |
| C24 | C11 | H56 | 120.1° | 120.1° |
| C24 | N41 | C28 | 129.4° | 120.0° |
| C24 | N41 | H81 | 115.3° | 120.1° |
| C15 | C4 | C5 | 120.5° | 120.1° |
| C15 | C4 | H49 | 119.8° | 120.0° |
| C12 | C17 | C5 | 119.0° | 120.1° |
| C12 | C17 | C26 | 123.0° | 120.0° |
| C17 | C12 | H57 | 120.0° | 120.0° |
| N41 | C28 | C35 | 112.5° | 120.0° |
| N41 | C28 | O44 | 125.2° | 120.0° |
| C28 | N41 | H81 | 115.3° | 120.0° |
| C4 | C5 | C17 | 121.0° | 120.3° |
| C5 | C4 | H49 | 119.7° | 119.9° |
| C4 | C5 | H50 | 119.5° | 119.8° |
| C5 | C17 | C26 | 117.9° | 120.0° |
| C17 | C5 | H50 | 119.5° | 119.9° |
| C17 | C26 | N40 | 118.6° | 120.0° |
| C17 | C26 | O42 | 119.1° | 120.0° |
| C28 | C35 | C36 | 118.3° | 109.5° |
| C35 | C28 | O44 | 122.1° | 120.0° |
| C28 | C35 | H73 | 107.2° | 109.5° |
| C28 | C35 | H72 | 107.2° | 109.5° |
| C35 | C36 | C33 | 111.7° | 109.5° |
| C35 | C36 | C34 | 111.1° | 109.5° |
| C36 | C35 | H73 | 107.2° | 109.4° |
| C36 | C35 | H72 | 107.2° | 109.4° |
| C35 | C36 | H74 | 106.9° | 109.4° |
| N40 | C26 | O42 | 121.9° | 120.0° |
| C26 | N40 | H79 | 120.0° | 120.0° |
| C26 | N40 | H80 | 120.0° | 119.9° |
| C33 | C36 | C34 | 112.8° | 109.5° |
| C36 | C33 | H68 | 109.5° | 109.5° |
| C36 | C33 | H67 | 109.5° | 109.4° |
| C36 | C33 | H66 | 109.5° | 109.5° |
| C33 | C36 | H74 | 107.0° | 109.5° |
| C36 | C34 | H70 | 109.5° | 109.4° |
| C36 | C34 | H69 | 109.4° | 109.5° |
| C36 | C34 | H71 | 109.5° | 109.4° |
| C34 | C36 | H74 | 106.9° | 109.5° |
| H60 | C29 | H61 | 109.5° | 109.6° |
| H64 | C32 | H63 | 109.5° | 109.5° |
| H64 | C32 | H65 | 109.5° | 109.5° |
| H63 | C32 | H65 | 109.5° | 109.5° |
| H68 | C33 | H67 | 109.4° | 109.4° |
| H68 | C33 | H66 | 109.5° | 109.4° |
| H67 | C33 | H66 | 109.5° | 109.5° |
| H70 | C34 | H69 | 109.5° | 109.5° |
| H70 | C34 | H71 | 109.5° | 109.5° |
| H69 | C34 | H71 | 109.5° | 109.5° |
| H73 | C35 | H72 | 109.4° | 109.5° |
| H78 | N39 | H77 | 120.0° | 120.0° |
| H79 | N40 | H80 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N37 | C25 | N39 | C18 | 169.3° | 180.0° |
| N37 | C25 | C18 | C6 | 21.6° | 180.0° |
| N37 | C25 | C18 | C13 | 150.0° | 0.0° |
| N37 | C25 | N39 | H78 | 169.3° | 180.0° |
| N37 | C25 | N39 | H77 | 10.7° | 0.0° |
| N39 | C25 | C18 | C6 | 169.1° | 0.0° |
| N39 | C25 | C18 | C13 | 19.2° | 180.0° |
| N39 | C25 | N37 | H75 | 169.3° | 180.0° |
| C25 | N39 | H78 | H77 | 180.0° | 180.0° |
| C25 | C18 | C6 | C13 | 171.5° | 180.0° |
| C25 | C18 | C6 | C9 | 174.5° | 179.9° |
| C25 | C18 | C13 | C22 | 172.6° | 179.5° |
| C25 | C18 | C6 | H51 | 5.5° | 0.3° |
| C25 | C18 | C13 | H58 | 7.4° | 0.3° |
| C18 | C25 | N37 | H75 | 0.0° | 0.0° |
| C18 | C25 | N39 | H78 | 0.0° | 0.0° |
| C18 | C25 | N39 | H77 | 180.0° | 180.0° |
| C18 | C6 | C9 | H51 | 180.0° | 179.8° |
| C6 | C18 | C13 | C22 | 0.6° | 0.5° |
| C18 | C6 | C9 | C23 | 3.8° | 0.2° |
| C18 | C6 | C9 | H54 | 176.2° | 179.7° |
| C6 | C18 | C13 | H58 | 179.4° | 179.7° |
| C13 | C18 | C6 | C9 | 3.0° | 0.1° |
| C18 | C13 | C22 | H58 | 180.0° | 179.2° |
| C18 | C13 | C22 | C23 | 1.0° | 0.6° |
| C18 | C13 | C22 | C31 | 173.6° | 179.6° |
| C13 | C18 | C6 | H51 | 177.0° | 179.7° |
| C6 | C9 | C23 | H54 | 180.0° | 179.9° |
| C6 | C9 | C23 | C22 | 2.1° | 0.2° |
| C6 | C9 | C23 | N38 | 177.2° | 179.7° |
| C13 | C22 | C23 | C9 | 0.3° | 0.3° |
| C13 | C22 | C23 | C31 | 174.5° | 179.7° |
| C13 | C22 | C31 | C32 | 80.0° | 80.3° |
| C13 | C22 | C31 | C20 | 43.5° | 39.3° |
| C13 | C22 | C23 | N38 | 179.5° | 179.9° |
| C13 | C22 | C31 | C29 | 157.4° | 160.4° |
| C9 | C23 | C22 | N38 | 179.3° | 179.8° |
| C9 | C23 | C22 | C31 | 174.2° | 180.0° |
| C9 | C23 | N38 | C30 | 175.5° | 166.4° |
| C23 | C9 | C6 | H51 | 176.2° | 180.0° |
| C9 | C23 | N38 | H76 | 62.8° | 13.6° |
| C23 | C22 | C31 | C32 | 94.5° | 99.4° |
| C23 | C22 | C31 | C20 | 142.0° | 141.0° |
| C23 | C22 | C31 | C29 | 28.1° | 19.9° |
| C22 | C23 | N38 | C30 | 3.8° | 13.8° |
| C22 | C23 | C9 | H54 | 177.9° | 179.8° |
| C23 | C22 | C13 | H58 | 179.0° | 179.8° |
| C22 | C23 | N38 | H76 | 117.9° | 166.2° |
| C22 | C31 | C20 | C8 | 141.2° | 64.7° |
| C22 | C31 | C32 | C20 | 124.2° | 119.6° |
| C22 | C31 | C32 | C29 | 120.7° | 120.7° |
| C22 | C31 | C20 | C7 | 49.0° | 116.2° |
| C22 | C31 | C20 | C29 | 117.6° | 121.6° |
| C31 | C22 | C23 | N38 | 5.1° | 0.2° |
| C22 | C31 | C29 | C30 | 50.1° | 50.6° |
| C31 | C22 | C13 | H58 | 6.4° | 0.5° |
| C22 | C31 | C29 | H60 | 170.6° | 69.3° |
| C22 | C31 | C29 | H61 | 70.4° | 170.5° |
| C22 | C31 | C32 | H64 | 180.0° | 179.6° |
| C22 | C31 | C32 | H63 | 60.0° | 60.4° |
| C22 | C31 | C32 | H65 | 60.0° | 59.6° |
| C8 | C3 | C1 | H48 | 180.0° | 179.9° |
| C3 | C8 | C20 | H53 | 180.0° | 179.5° |
| C8 | C3 | C1 | C2 | 2.1° | 0.1° |
| C3 | C8 | C20 | C7 | 3.6° | 0.8° |
| C3 | C8 | C20 | C31 | 166.5° | 180.0° |
| C8 | C3 | C1 | H46 | 177.8° | 179.7° |
| C1 | C3 | C8 | C20 | 0.5° | 0.5° |
| C3 | C1 | C2 | H46 | 180.0° | 179.6° |
| C3 | C1 | C2 | C7 | 1.6° | 0.4° |
| C3 | C1 | C2 | H47 | 178.4° | 179.7° |
| C1 | C3 | C8 | H53 | 179.5° | 180.0° |
| C8 | C20 | C31 | C32 | 19.4° | 175.7° |
| C8 | C20 | C7 | C31 | 170.3° | 179.1° |
| C8 | C20 | C7 | C2 | 4.2° | 0.6° |
| C8 | C20 | C31 | C29 | 101.2° | 56.9° |
| C20 | C8 | C3 | H48 | 179.5° | 179.4° |
| C8 | C20 | C7 | H52 | 175.8° | 179.5° |
| C32 | C31 | C20 | C7 | 170.7° | 3.4° |
| C32 | C31 | C20 | C29 | 120.6° | 118.8° |
| C32 | C31 | C29 | C30 | 70.0° | 69.2° |
| C32 | C31 | C29 | H60 | 50.5° | 170.9° |
| C32 | C31 | C29 | H61 | 169.5° | 50.7° |
| C31 | C32 | H64 | H63 | 120.0° | 120.0° |
| C31 | C32 | H64 | H65 | 120.0° | 119.9° |
| C31 | C32 | H63 | H65 | 120.0° | 120.0° |
| C1 | C2 | C7 | C20 | 1.6° | 0.0° |
| C1 | C2 | C7 | H47 | 180.0° | 180.0° |
| C2 | C1 | C3 | H48 | 177.8° | 180.0° |
| C1 | C2 | C7 | H52 | 178.4° | 179.9° |
| C20 | C7 | C2 | H52 | 180.0° | 180.0° |
| C7 | C20 | C31 | C29 | 68.7° | 122.2° |
| C20 | C7 | C2 | H47 | 178.4° | 180.0° |
| C7 | C20 | C8 | H53 | 176.4° | 179.7° |
| C31 | C20 | C7 | C2 | 166.1° | 179.7° |
| C20 | C31 | C29 | C30 | 170.0° | 171.4° |
| C31 | C20 | C7 | H52 | 13.9° | 0.3° |
| C31 | C20 | C8 | H53 | 13.5° | 0.5° |
| C20 | C31 | C29 | H60 | 69.5° | 51.5° |
| C20 | C31 | C29 | H61 | 49.5° | 68.7° |
| C20 | C31 | C32 | H64 | 55.8° | 60.0° |
| C20 | C31 | C32 | H63 | 175.8° | 180.0° |
| C20 | C31 | C32 | H65 | 64.3° | 60.0° |
| C7 | C2 | C1 | H46 | 178.4° | 180.0° |
| C23 | N38 | C30 | H76 | 121.7° | 180.0° |
| C23 | N38 | C30 | C29 | 26.5° | 44.9° |
| C23 | N38 | C30 | C21 | 150.3° | 164.6° |
| N38 | C23 | C9 | H54 | 2.8° | 0.4° |
| C23 | N38 | C30 | H62 | 90.5° | 74.6° |
| C31 | C29 | C30 | N38 | 50.0° | 62.9° |
| C31 | C29 | C30 | H60 | 120.5° | 119.8° |
| C31 | C29 | C30 | H61 | 120.5° | 119.9° |
| C31 | C29 | C30 | C21 | 177.4° | 177.2° |
| C31 | C29 | H60 | H61 | 118.4° | 120.1° |
| C31 | C29 | C30 | H62 | 67.4° | 56.4° |
| C29 | C31 | C32 | H64 | 59.3° | 59.8° |
| C29 | C31 | C32 | H63 | 60.7° | 60.2° |
| C29 | C31 | C32 | H65 | 179.3° | 179.7° |
| N38 | C30 | C29 | C21 | 127.4° | 119.9° |
| N38 | C30 | C29 | H62 | 117.4° | 119.3° |
| N38 | C30 | C21 | H62 | 119.3° | 120.7° |
| N38 | C30 | C21 | C10 | 52.4° | 141.5° |
| N38 | C30 | C21 | C14 | 134.1° | 38.5° |
| N38 | C30 | C29 | H60 | 170.5° | 56.9° |
| N38 | C30 | C29 | H61 | 70.5° | 177.2° |
| C29 | C30 | C21 | H62 | 115.1° | 120.8° |
| C29 | C30 | C21 | C10 | 73.2° | 100.0° |
| C29 | C30 | C21 | C14 | 100.3° | 80.0° |
| C30 | C29 | H60 | H61 | 118.5° | 120.3° |
| C29 | C30 | N38 | H76 | 95.2° | 135.1° |
| C30 | C21 | C10 | C14 | 173.6° | 180.0° |
| C30 | C21 | C10 | C16 | 174.4° | 180.0° |
| C30 | C21 | C14 | C24 | 169.5° | 179.5° |
| C30 | C21 | C10 | H55 | 5.6° | 0.2° |
| C30 | C21 | C14 | H59 | 10.6° | 0.2° |
| C21 | C30 | C29 | H60 | 62.1° | 63.0° |
| C21 | C30 | C29 | H61 | 56.9° | 57.3° |
| C21 | C30 | N38 | H76 | 28.6° | 15.4° |
| O43 | C27 | O45 | C19 | 178.8° | 180.0° |
| O43 | C27 | C19 | C15 | 92.6° | 6.4° |
| O43 | C27 | C19 | C12 | 84.7° | 173.0° |
| O43 | C27 | O45 | H82 | 0.0° | 0.0° |
| C21 | C10 | C16 | H55 | 180.0° | 179.8° |
| C10 | C21 | C14 | C24 | 4.3° | 0.6° |
| C21 | C10 | C16 | C15 | 168.9° | 179.7° |
| C21 | C10 | C16 | C11 | 4.4° | 0.2° |
| C10 | C21 | C14 | H59 | 175.7° | 179.8° |
| C10 | C21 | C30 | H62 | 171.7° | 20.8° |
| C14 | C21 | C10 | C16 | 0.8° | 0.1° |
| C21 | C14 | C24 | H59 | 180.0° | 179.2° |
| C21 | C14 | C24 | C11 | 5.7° | 0.8° |
| C21 | C14 | C24 | N41 | 160.2° | 179.1° |
| C14 | C21 | C10 | H55 | 179.2° | 179.7° |
| C14 | C21 | C30 | H62 | 14.8° | 159.2° |
| C10 | C16 | C15 | C11 | 173.2° | 179.9° |
| C10 | C16 | C15 | C19 | 50.9° | 58.7° |
| C10 | C16 | C11 | C24 | 3.0° | 0.1° |
| C10 | C16 | C15 | C4 | 131.4° | 121.3° |
| C10 | C16 | C11 | H56 | 177.0° | 180.0° |
| C14 | C24 | C11 | C16 | 1.9° | 0.6° |
| C14 | C24 | C11 | N41 | 164.1° | 180.0° |
| C14 | C24 | N41 | C28 | 158.8° | 35.7° |
| C14 | C24 | C11 | H56 | 178.1° | 179.5° |
| C14 | C24 | N41 | H81 | 21.2° | 144.3° |
| O45 | C27 | C19 | C15 | 88.5° | 173.6° |
| O45 | C27 | C19 | C12 | 94.1° | 7.1° |
| C27 | C19 | C15 | C16 | 9.2° | 0.0° |
| C27 | C19 | C15 | C12 | 177.2° | 179.4° |
| C27 | C19 | C15 | C4 | 173.0° | 180.0° |
| C27 | C19 | C12 | C17 | 176.5° | 179.7° |
| C27 | C19 | C12 | H57 | 3.5° | 0.4° |
| C19 | C27 | O45 | H82 | 178.8° | 180.0° |
| C16 | C15 | C19 | C4 | 177.8° | 180.0° |
| C16 | C15 | C19 | C12 | 173.6° | 179.4° |
| C15 | C16 | C11 | C24 | 170.3° | 180.0° |
| C16 | C15 | C4 | C5 | 176.1° | 180.0° |
| C16 | C15 | C4 | H49 | 3.8° | 0.4° |
| C15 | C16 | C10 | H55 | 11.1° | 0.1° |
| C15 | C16 | C11 | H56 | 9.7° | 0.1° |
| C11 | C16 | C15 | C19 | 122.3° | 121.2° |
| C16 | C11 | C24 | H56 | 180.0° | 179.9° |
| C16 | C11 | C24 | N41 | 162.2° | 179.4° |
| C11 | C16 | C15 | C4 | 55.4° | 58.8° |
| C11 | C16 | C10 | H55 | 175.6° | 180.0° |
| C15 | C19 | C12 | C17 | 0.9° | 0.9° |
| C19 | C15 | C4 | C5 | 1.7° | 0.0° |
| C19 | C15 | C4 | H49 | 178.3° | 179.7° |
| C15 | C19 | C12 | H57 | 179.1° | 179.7° |
| C12 | C19 | C15 | C4 | 4.2° | 0.6° |
| C19 | C12 | C17 | H57 | 180.0° | 179.4° |
| C19 | C12 | C17 | C5 | 4.8° | 0.6° |
| C19 | C12 | C17 | C26 | 171.8° | 180.0° |
| C11 | C24 | N41 | C28 | 6.1° | 144.3° |
| C11 | C24 | C14 | H59 | 174.3° | 180.0° |
| C11 | C24 | N41 | H81 | 173.8° | 35.7° |
| C24 | N41 | C28 | H81 | 180.0° | 180.0° |
| C24 | N41 | C28 | C35 | 129.4° | 175.3° |
| C24 | N41 | C28 | O44 | 46.3° | 4.7° |
| N41 | C24 | C11 | H56 | 17.8° | 0.5° |
| N41 | C24 | C14 | H59 | 19.8° | 0.1° |
| C15 | C4 | C5 | H49 | 180.0° | 179.6° |
| C15 | C4 | C5 | C17 | 4.1° | 0.3° |
| C15 | C4 | C5 | H50 | 175.9° | 179.7° |
| C12 | C17 | C5 | C4 | 7.4° | 0.0° |
| C12 | C17 | C5 | C26 | 176.8° | 179.4° |
| C12 | C17 | C26 | N40 | 5.0° | 180.0° |
| C12 | C17 | C26 | O42 | 168.4° | 0.0° |
| C12 | C17 | C5 | H50 | 172.6° | 180.0° |
| N41 | C28 | C35 | O44 | 175.9° | 179.9° |
| N41 | C28 | C35 | C36 | 137.2° | 180.0° |
| N41 | C28 | C35 | H73 | 15.9° | 60.1° |
| N41 | C28 | C35 | H72 | 101.6° | 60.0° |
| C4 | C5 | C17 | H50 | 180.0° | 180.0° |
| C4 | C5 | C17 | C26 | 169.4° | 179.4° |
| C5 | C17 | C26 | N40 | 171.7° | 0.6° |
| C5 | C17 | C26 | O42 | 15.0° | 179.4° |
| C17 | C5 | C4 | H49 | 175.9° | 180.0° |
| C5 | C17 | C12 | H57 | 175.2° | 180.0° |
| C17 | C26 | N40 | O42 | 173.1° | 180.0° |
| C26 | C17 | C5 | H50 | 10.6° | 0.6° |
| C26 | C17 | C12 | H57 | 8.2° | 0.6° |
| C17 | C26 | N40 | H79 | 173.2° | 0.0° |
| C17 | C26 | N40 | H80 | 6.8° | 180.0° |
| C28 | C35 | C36 | H73 | 121.3° | 120.0° |
| C28 | C35 | C36 | H72 | 121.3° | 120.0° |
| C28 | C35 | C36 | C33 | 41.8° | 175.0° |
| C28 | C35 | C36 | C34 | 85.2° | 65.0° |
| C28 | C35 | H73 | H72 | 116.0° | 120.1° |
| C28 | C35 | C36 | H74 | 158.5° | 55.0° |
| C35 | C28 | N41 | H81 | 50.6° | 4.7° |
| C36 | C35 | C28 | O44 | 47.0° | 0.1° |
| C35 | C36 | C33 | C34 | 126.1° | 120.0° |
| C35 | C36 | C33 | H74 | 116.6° | 120.0° |
| C35 | C36 | C34 | H74 | 116.3° | 120.0° |
| C35 | C36 | C33 | H68 | 180.0° | 60.0° |
| C35 | C36 | C33 | H67 | 60.0° | 180.0° |
| C35 | C36 | C33 | H66 | 60.0° | 60.0° |
| C35 | C36 | C34 | H70 | 180.0° | 180.0° |
| C35 | C36 | C34 | H69 | 60.0° | 60.0° |
| C35 | C36 | C34 | H71 | 60.0° | 60.0° |
| C36 | C35 | H73 | H72 | 116.0° | 119.9° |
| O44 | C28 | C35 | H73 | 168.3° | 120.0° |
| O44 | C28 | C35 | H72 | 74.3° | 119.9° |
| O44 | C28 | N41 | H81 | 133.7° | 175.4° |
| C26 | N40 | H79 | H80 | 180.0° | 180.0° |
| O42 | C26 | N40 | H79 | 0.0° | 180.0° |
| O42 | C26 | N40 | H80 | 180.0° | 0.0° |
| C33 | C36 | C34 | H74 | 117.3° | 120.1° |
| C36 | C33 | H68 | H67 | 120.0° | 119.9° |
| C36 | C33 | H68 | H66 | 120.0° | 120.1° |
| C36 | C33 | H67 | H66 | 120.0° | 120.1° |
| C33 | C36 | C34 | H70 | 53.6° | 60.0° |
| C33 | C36 | C34 | H69 | 173.6° | 60.0° |
| C33 | C36 | C34 | H71 | 66.4° | 180.0° |
| C33 | C36 | C35 | H73 | 79.5° | 54.9° |
| C33 | C36 | C35 | H72 | 163.1° | 65.0° |
| C34 | C36 | C33 | H68 | 53.9° | 59.9° |
| C34 | C36 | C33 | H67 | 66.1° | 60.0° |
| C34 | C36 | C33 | H66 | 173.9° | 180.0° |
| C36 | C34 | H70 | H69 | 120.0° | 120.0° |
| C36 | C34 | H70 | H71 | 120.0° | 120.0° |
| C36 | C34 | H69 | H71 | 120.0° | 120.0° |
| C34 | C36 | C35 | H73 | 153.5° | 175.0° |
| C34 | C36 | C35 | H72 | 36.1° | 55.0° |
| H46 | C1 | C2 | H47 | 1.6° | 0.1° |
| H46 | C1 | C3 | H48 | 2.2° | 0.4° |
| H47 | C2 | C7 | H52 | 1.6° | 0.0° |
| H48 | C3 | C8 | H53 | 0.5° | 0.0° |
| H49 | C4 | C5 | H50 | 4.1° | 0.1° |
| H51 | C6 | C9 | H54 | 3.8° | 0.1° |
| H60 | C29 | C30 | H62 | 53.1° | 176.2° |
| H61 | C29 | C30 | H62 | 172.1° | 63.5° |
| H62 | C30 | N38 | H76 | 147.7° | 105.4° |
| H64 | C32 | H63 | H65 | 120.0° | 120.0° |
| H68 | C33 | H67 | H66 | 120.0° | 120.0° |
| H68 | C33 | C36 | H74 | 63.4° | 180.0° |
| H67 | C33 | C36 | H74 | 176.6° | 60.1° |
| H66 | C33 | C36 | H74 | 56.6° | 60.0° |
| H70 | C34 | H69 | H71 | 120.0° | 120.0° |
| H70 | C34 | C36 | H74 | 63.7° | 60.0° |
| H69 | C34 | C36 | H74 | 56.3° | 179.9° |
| H71 | C34 | C36 | H74 | 176.3° | 60.0° |
| H73 | C35 | C36 | H74 | 37.2° | 65.0° |
| H72 | C35 | C36 | H74 | 80.3° | 175.0° |
