3Y5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N33 | C32 | doub | 1.31Å | 1.31Å | Aromatic |
| N33 | N34 | sing | 1.28Å | 1.36Å | Aromatic |
| C32 | N31 | sing | 1.35Å | 1.34Å | Aromatic |
| N34 | N35 | doub | 1.29Å | 1.30Å | Aromatic |
| N31 | N35 | sing | 1.41Å | 1.36Å | Aromatic |
| N31 | C25 | sing | 1.40Å | 1.43Å | |
| CL | C12 | sing | 1.74Å | 1.70Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.37Å | 1.38Å | Aromatic |
| N11 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| C7 | C2 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | doub | 1.36Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C24 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | N21 | sing | 1.46Å | 1.46Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| N9 | C8 | sing | 1.47Å | 1.46Å | |
| N9 | C20 | sing | 1.35Å | 1.37Å | |
| C10 | C8 | sing | 1.51Å | 1.50Å | |
| C10 | N14 | doub | 1.30Å | 1.32Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | CL2 | sing | 1.74Å | 1.75Å | |
| N21 | C20 | sing | 1.35Å | 1.36Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | N14 | sing | 1.35Å | 1.38Å | Aromatic |
| C13 | C16 | sing | 1.48Å | 1.47Å | |
| C20 | O22 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| N38 | C37 | sing | 1.37Å | 1.36Å | Aromatic |
| N38 | N39 | sing | 1.40Å | 1.37Å | Aromatic |
| C37 | C36 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.36Å | 1.38Å | Aromatic |
| N39 | C40 | doub | 1.31Å | 1.33Å | Aromatic |
| C36 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C36 | C40 | sing | 1.46Å | 1.47Å | Aromatic |
| C40 | N41 | sing | 1.40Å | 1.34Å | |
| C18 | H53 | sing | 1.08Å | 1.08Å | |
| C17 | H52 | sing | 1.08Å | 1.08Å | |
| C19 | H54 | sing | 1.08Å | 1.08Å | |
| C23 | H56 | sing | 1.09Å | 1.10Å | |
| C23 | H57 | sing | 1.09Å | 1.10Å | |
| C27 | H59 | sing | 1.08Å | 1.08Å | |
| C1 | H42 | sing | 1.08Å | 1.08Å | |
| C3 | H43 | sing | 1.08Å | 1.08Å | |
| C4 | H44 | sing | 1.08Å | 1.08Å | |
| C5 | H45 | sing | 1.08Å | 1.08Å | |
| C6 | H46 | sing | 1.08Å | 1.08Å | |
| C7 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H47 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.09Å | 1.10Å | |
| N9 | H50 | sing | 0.97Å | 1.00Å | |
| N11 | H51 | sing | 0.97Å | 1.00Å | |
| N21 | H55 | sing | 0.97Å | 1.00Å | |
| C26 | H58 | sing | 1.08Å | 1.08Å | |
| C29 | H60 | sing | 1.08Å | 1.08Å | |
| C32 | H61 | sing | 1.08Å | 1.08Å | |
| N38 | H62 | sing | 0.97Å | 1.00Å | |
| N41 | H63 | sing | 0.97Å | 1.00Å | |
| N41 | H64 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | N33 | N34 | 105.6° | 110.6° |
| N33 | C32 | N31 | 109.7° | 107.3° |
| N33 | C32 | H61 | 125.1° | 126.4° |
| N33 | N34 | N35 | 110.9° | 110.3° |
| C32 | N31 | N35 | 107.3° | 105.2° |
| C32 | N31 | C25 | 132.4° | 127.4° |
| N31 | C32 | H61 | 125.1° | 126.4° |
| N34 | N35 | N31 | 106.4° | 106.6° |
| N35 | N31 | C25 | 120.3° | 127.3° |
| N31 | C25 | C26 | 118.3° | 120.0° |
| N31 | C25 | C24 | 121.7° | 120.1° |
| CL | C12 | N11 | 121.5° | 126.7° |
| CL | C12 | C13 | 131.8° | 126.6° |
| C26 | C25 | C24 | 119.9° | 119.9° |
| C25 | C26 | C27 | 120.5° | 119.9° |
| C25 | C26 | H58 | 119.7° | 120.1° |
| C25 | C24 | C23 | 121.1° | 120.0° |
| C25 | C24 | C29 | 118.7° | 119.9° |
| C26 | C27 | C28 | 119.0° | 120.1° |
| C26 | C27 | H59 | 120.5° | 119.9° |
| C27 | C26 | H58 | 119.8° | 120.0° |
| C6 | C1 | C2 | 120.8° | 120.0° |
| C1 | C6 | C5 | 120.3° | 119.9° |
| C6 | C1 | H42 | 119.6° | 120.0° |
| C1 | C6 | H46 | 119.8° | 120.0° |
| C1 | C2 | C7 | 120.5° | 120.1° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C2 | C1 | H42 | 119.6° | 120.0° |
| C12 | N11 | C10 | 105.9° | 107.4° |
| N11 | C12 | C13 | 106.7° | 106.7° |
| C12 | N11 | H51 | 127.0° | 126.3° |
| N11 | C10 | C8 | 124.2° | 125.6° |
| N11 | C10 | N14 | 112.2° | 108.9° |
| C10 | N11 | H51 | 127.0° | 126.3° |
| C2 | C7 | C8 | 112.9° | 109.4° |
| C7 | C2 | C3 | 120.9° | 120.0° |
| C2 | C7 | H48 | 108.6° | 109.5° |
| C2 | C7 | H47 | 108.6° | 109.5° |
| C7 | C8 | N9 | 111.8° | 109.5° |
| C7 | C8 | C10 | 109.4° | 109.5° |
| C8 | C7 | H48 | 108.6° | 109.5° |
| C8 | C7 | H47 | 108.6° | 109.4° |
| C7 | C8 | H49 | 107.1° | 109.5° |
| C12 | C13 | N14 | 110.0° | 107.8° |
| C12 | C13 | C16 | 130.9° | 126.1° |
| C6 | C5 | C4 | 119.5° | 120.0° |
| C6 | C5 | H45 | 120.2° | 120.0° |
| C5 | C6 | H46 | 119.9° | 120.0° |
| C23 | C24 | C29 | 120.1° | 120.1° |
| C24 | C23 | N21 | 113.5° | 109.5° |
| C24 | C23 | H56 | 108.5° | 109.4° |
| C24 | C23 | H57 | 108.5° | 109.5° |
| C24 | C29 | C28 | 120.4° | 120.1° |
| C24 | C29 | H60 | 119.8° | 119.9° |
| C23 | N21 | C20 | 124.5° | 120.0° |
| N21 | C23 | H56 | 108.4° | 109.5° |
| N21 | C23 | H57 | 108.5° | 109.5° |
| C23 | N21 | H55 | 117.7° | 120.0° |
| C27 | C28 | C29 | 121.5° | 120.1° |
| C27 | C28 | CL2 | 119.5° | 119.9° |
| C28 | C27 | H59 | 120.5° | 120.0° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | H43 | 119.6° | 120.0° |
| C8 | N9 | C20 | 118.6° | 120.0° |
| N9 | C8 | C10 | 112.7° | 109.5° |
| N9 | C8 | H49 | 108.0° | 109.5° |
| C8 | N9 | H50 | 120.7° | 120.0° |
| N9 | C20 | N21 | 117.2° | 120.0° |
| N9 | C20 | O22 | 121.4° | 120.1° |
| C20 | N9 | H50 | 120.7° | 120.0° |
| C8 | C10 | N14 | 123.5° | 125.5° |
| C10 | C8 | H49 | 107.6° | 109.5° |
| C10 | N14 | C13 | 105.2° | 109.2° |
| C29 | C28 | CL2 | 119.0° | 119.9° |
| C28 | C29 | H60 | 119.8° | 120.0° |
| N21 | C20 | O22 | 121.3° | 119.9° |
| C20 | N21 | H55 | 117.8° | 120.0° |
| C5 | C4 | C3 | 120.2° | 120.0° |
| C5 | C4 | H44 | 119.9° | 120.0° |
| C4 | C5 | H45 | 120.2° | 120.0° |
| N14 | C13 | C16 | 119.1° | 126.1° |
| C13 | C16 | C17 | 119.7° | 119.8° |
| C13 | C16 | C19 | 120.0° | 119.8° |
| C4 | C3 | H43 | 119.5° | 120.0° |
| C3 | C4 | H44 | 119.9° | 120.0° |
| C16 | C17 | C37 | 118.7° | 119.6° |
| C17 | C16 | C19 | 119.9° | 120.4° |
| C16 | C17 | H52 | 120.7° | 120.2° |
| C17 | C37 | N38 | 131.5° | 133.7° |
| C17 | C37 | C36 | 121.7° | 119.5° |
| C37 | C17 | H52 | 120.6° | 120.2° |
| C16 | C19 | C18 | 120.9° | 120.5° |
| C16 | C19 | H54 | 119.6° | 119.8° |
| C37 | N38 | N39 | 111.8° | 109.2° |
| N38 | C37 | C36 | 106.7° | 106.8° |
| C37 | N38 | H62 | 124.1° | 125.3° |
| N38 | N39 | C40 | 108.1° | 110.0° |
| N39 | N38 | H62 | 124.1° | 125.4° |
| C37 | C36 | C18 | 118.5° | 120.0° |
| C37 | C36 | C40 | 105.1° | 106.3° |
| C19 | C18 | C36 | 120.1° | 120.0° |
| C19 | C18 | H53 | 119.9° | 120.0° |
| C18 | C19 | H54 | 119.6° | 119.7° |
| N39 | C40 | C36 | 108.3° | 107.7° |
| N39 | C40 | N41 | 122.2° | 126.1° |
| C18 | C36 | C40 | 136.3° | 133.8° |
| C36 | C18 | H53 | 120.0° | 120.0° |
| C36 | C40 | N41 | 129.5° | 126.2° |
| C40 | N41 | H63 | 109.5° | 120.0° |
| C40 | N41 | H64 | 109.5° | 120.0° |
| H56 | C23 | H57 | 109.5° | 109.5° |
| H48 | C7 | H47 | 109.4° | 109.5° |
| H63 | N41 | H64 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N33 | C32 | N31 | H61 | 180.0° | 180.0° |
| C32 | N33 | N34 | N35 | 0.4° | 0.0° |
| N33 | C32 | N31 | N35 | 0.8° | 0.0° |
| N33 | C32 | N31 | C25 | 176.7° | 179.8° |
| N34 | N33 | C32 | N31 | 0.2° | 0.0° |
| N33 | N34 | N35 | N31 | 0.9° | 0.0° |
| N34 | N33 | C32 | H61 | 179.7° | 180.0° |
| C32 | N31 | N35 | N34 | 1.0° | 0.0° |
| C32 | N31 | N35 | C25 | 177.8° | 179.7° |
| C32 | N31 | C25 | C26 | 66.3° | 0.3° |
| C32 | N31 | C25 | C24 | 115.8° | 179.6° |
| N34 | N35 | N31 | C25 | 176.9° | 179.8° |
| N35 | N31 | C25 | C26 | 116.5° | 180.0° |
| N35 | N31 | C25 | C24 | 61.4° | 0.1° |
| N35 | N31 | C32 | H61 | 179.2° | 180.0° |
| N31 | C25 | C26 | C24 | 177.9° | 179.9° |
| N31 | C25 | C26 | C27 | 178.4° | 180.0° |
| N31 | C25 | C24 | C23 | 0.1° | 0.1° |
| N31 | C25 | C24 | C29 | 178.5° | 179.8° |
| N31 | C25 | C26 | H58 | 1.6° | 0.1° |
| C25 | N31 | C32 | H61 | 3.3° | 0.3° |
| CL | C12 | N11 | C13 | 179.5° | 180.0° |
| CL | C12 | N11 | C10 | 179.8° | 180.0° |
| CL | C12 | C13 | N14 | 179.7° | 180.0° |
| CL | C12 | C13 | C16 | 1.5° | 0.0° |
| CL | C12 | N11 | H51 | 0.2° | 0.0° |
| C25 | C26 | C27 | H58 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 178.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.7° | 0.3° |
| C25 | C26 | C27 | C28 | 0.4° | 0.2° |
| C25 | C26 | C27 | H59 | 179.6° | 180.0° |
| C24 | C25 | C26 | C27 | 0.5° | 0.0° |
| C25 | C24 | C23 | C29 | 178.7° | 179.6° |
| C25 | C24 | C23 | N21 | 87.5° | 80.3° |
| C25 | C24 | C29 | C28 | 0.0° | 0.3° |
| C25 | C24 | C23 | H56 | 151.9° | 159.7° |
| C25 | C24 | C23 | H57 | 33.1° | 39.7° |
| C24 | C25 | C26 | H58 | 179.5° | 180.0° |
| C25 | C24 | C29 | H60 | 180.0° | 179.7° |
| C26 | C27 | C28 | H59 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 1.2° | 0.2° |
| C26 | C27 | C28 | CL2 | 176.9° | 179.7° |
| C6 | C1 | C2 | H42 | 180.0° | 179.6° |
| C6 | C1 | C2 | C7 | 171.5° | 180.0° |
| C1 | C6 | C5 | H46 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 2.1° | 0.1° |
| C1 | C6 | C5 | C4 | 0.9° | 0.1° |
| C1 | C6 | C5 | H45 | 179.1° | 179.9° |
| C1 | C2 | C7 | C3 | 173.4° | 179.9° |
| C1 | C2 | C7 | C8 | 119.0° | 90.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.2° |
| C1 | C2 | C3 | C4 | 2.8° | 0.0° |
| C1 | C2 | C3 | H43 | 177.1° | 179.9° |
| C2 | C1 | C6 | H46 | 179.7° | 179.9° |
| C1 | C2 | C7 | H48 | 1.5° | 150.0° |
| C1 | C2 | C7 | H47 | 120.5° | 29.9° |
| C12 | N11 | C10 | H51 | 180.0° | 180.0° |
| C12 | N11 | C10 | C8 | 175.8° | 180.0° |
| C12 | N11 | C10 | N14 | 0.2° | 0.0° |
| N11 | C12 | C13 | N14 | 0.3° | 0.0° |
| N11 | C12 | C13 | C16 | 179.1° | 180.0° |
| N11 | C10 | C8 | C7 | 59.1° | 125.0° |
| C10 | N11 | C12 | C13 | 0.3° | 0.0° |
| N11 | C10 | C8 | N9 | 65.9° | 5.0° |
| N11 | C10 | C8 | N14 | 175.5° | 180.0° |
| N11 | C10 | N14 | C13 | 0.0° | 0.0° |
| N11 | C10 | C8 | H49 | 175.1° | 115.0° |
| C2 | C7 | C8 | H48 | 120.5° | 120.0° |
| C2 | C7 | C8 | H47 | 120.5° | 119.9° |
| C2 | C7 | C8 | N9 | 174.4° | 65.0° |
| C2 | C7 | C8 | C10 | 60.1° | 175.0° |
| C7 | C2 | C3 | C4 | 170.7° | 180.0° |
| C7 | C2 | C1 | H42 | 8.5° | 0.3° |
| C7 | C2 | C3 | H43 | 9.3° | 0.0° |
| C2 | C7 | H48 | H47 | 118.4° | 120.0° |
| C2 | C7 | C8 | H49 | 56.2° | 55.0° |
| C8 | C7 | C2 | C3 | 54.4° | 90.1° |
| C7 | C8 | N9 | C10 | 123.7° | 120.0° |
| C7 | C8 | N9 | H49 | 117.6° | 120.0° |
| C7 | C8 | N9 | C20 | 155.1° | 85.0° |
| C7 | C8 | C10 | H49 | 116.0° | 120.0° |
| C7 | C8 | C10 | N14 | 116.4° | 55.0° |
| C8 | C7 | H48 | H47 | 118.4° | 120.0° |
| C7 | C8 | N9 | H50 | 24.9° | 95.0° |
| C12 | C13 | N14 | C10 | 0.2° | 0.0° |
| C12 | C13 | N14 | C16 | 179.0° | 180.0° |
| C12 | C13 | C16 | C17 | 29.2° | 145.0° |
| C12 | C13 | C16 | C19 | 143.7° | 34.7° |
| C13 | C12 | N11 | H51 | 179.7° | 180.0° |
| C6 | C5 | C4 | H45 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | C6 | C1 | H42 | 179.7° | 179.8° |
| C6 | C5 | C4 | H44 | 179.8° | 180.0° |
| C24 | C23 | N21 | H56 | 120.6° | 119.9° |
| C24 | C23 | N21 | H57 | 120.6° | 120.0° |
| C23 | C24 | C29 | C28 | 178.7° | 180.0° |
| C24 | C23 | N21 | C20 | 167.7° | 180.0° |
| C24 | C23 | H56 | H57 | 118.2° | 120.0° |
| C24 | C23 | N21 | H55 | 12.3° | 0.0° |
| C23 | C24 | C29 | H60 | 1.3° | 0.0° |
| C29 | C24 | C23 | N21 | 91.1° | 100.0° |
| C24 | C29 | C28 | C27 | 1.0° | 0.0° |
| C24 | C29 | C28 | H60 | 180.0° | 180.0° |
| C24 | C29 | C28 | CL2 | 177.1° | 180.0° |
| C29 | C24 | C23 | H56 | 29.5° | 19.9° |
| C29 | C24 | C23 | H57 | 148.3° | 139.9° |
| C23 | N21 | C20 | N9 | 32.4° | 180.0° |
| C23 | N21 | C20 | H55 | 180.0° | 180.0° |
| C23 | N21 | C20 | O22 | 151.4° | 0.0° |
| N21 | C23 | H56 | H57 | 118.2° | 120.1° |
| C27 | C28 | C29 | CL2 | 178.0° | 180.0° |
| C28 | C27 | C26 | H58 | 179.6° | 179.8° |
| C27 | C28 | C29 | H60 | 179.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.7° | 0.0° |
| C2 | C3 | C4 | H43 | 180.0° | 180.0° |
| C3 | C2 | C1 | H42 | 177.9° | 179.7° |
| C2 | C3 | C4 | H44 | 178.3° | 180.0° |
| C3 | C2 | C7 | H48 | 175.0° | 29.9° |
| C3 | C2 | C7 | H47 | 66.1° | 150.0° |
| C8 | N9 | C20 | H50 | 180.0° | 180.0° |
| N9 | C8 | C10 | H49 | 119.0° | 120.0° |
| N9 | C8 | C10 | N14 | 118.6° | 175.0° |
| C8 | N9 | C20 | N21 | 179.2° | 180.0° |
| C8 | N9 | C20 | O22 | 4.6° | 0.0° |
| N9 | C8 | C7 | H48 | 65.1° | 175.0° |
| N9 | C8 | C7 | H47 | 53.9° | 55.0° |
| C20 | N9 | C8 | C10 | 81.2° | 155.0° |
| N9 | C20 | N21 | O22 | 176.2° | 180.0° |
| C20 | N9 | C8 | H49 | 37.5° | 35.0° |
| N9 | C20 | N21 | H55 | 147.6° | 0.0° |
| C8 | C10 | N14 | C13 | 176.0° | 180.0° |
| C10 | C8 | C7 | H48 | 60.4° | 55.0° |
| C10 | C8 | C7 | H47 | 179.4° | 65.0° |
| C10 | C8 | N9 | H50 | 98.8° | 25.0° |
| C8 | C10 | N11 | H51 | 4.2° | 0.0° |
| C10 | N14 | C13 | C16 | 179.2° | 179.9° |
| N14 | C10 | C8 | H49 | 0.4° | 65.0° |
| N14 | C10 | N11 | H51 | 179.8° | 180.0° |
| C29 | C28 | C27 | H59 | 178.8° | 180.0° |
| CL2 | C28 | C27 | H59 | 3.1° | 0.0° |
| CL2 | C28 | C29 | H60 | 2.9° | 0.0° |
| C20 | N21 | C23 | H56 | 47.0° | 60.0° |
| C20 | N21 | C23 | H57 | 71.7° | 60.0° |
| N21 | C20 | N9 | H50 | 0.8° | 0.0° |
| C5 | C4 | C3 | H44 | 180.0° | 180.0° |
| C5 | C4 | C3 | H43 | 178.3° | 180.0° |
| C4 | C5 | C6 | H46 | 179.1° | 179.9° |
| N14 | C13 | C16 | C17 | 152.1° | 35.0° |
| N14 | C13 | C16 | C19 | 35.0° | 145.3° |
| C13 | C16 | C17 | C19 | 172.9° | 179.7° |
| C13 | C16 | C17 | C37 | 168.0° | 180.0° |
| C13 | C16 | C19 | C18 | 170.3° | 179.7° |
| C13 | C16 | C17 | H52 | 12.0° | 0.2° |
| C13 | C16 | C19 | H54 | 9.7° | 0.3° |
| O22 | C20 | N9 | H50 | 175.4° | 179.9° |
| O22 | C20 | N21 | H55 | 28.6° | 179.9° |
| C3 | C4 | C5 | H45 | 179.8° | 180.0° |
| C16 | C17 | C37 | H52 | 180.0° | 179.8° |
| C16 | C17 | C37 | N38 | 172.7° | 180.0° |
| C16 | C17 | C37 | C36 | 3.9° | 0.2° |
| C17 | C16 | C19 | C18 | 2.6° | 0.0° |
| C17 | C16 | C19 | H54 | 177.5° | 180.0° |
| C37 | C17 | C16 | C19 | 4.9° | 0.3° |
| C17 | C37 | N38 | C36 | 176.9° | 179.8° |
| C17 | C37 | N38 | N39 | 177.6° | 180.0° |
| C17 | C37 | C36 | C18 | 0.5° | 0.1° |
| C17 | C37 | C36 | C40 | 178.1° | 180.0° |
| C17 | C37 | N38 | H62 | 2.3° | 0.1° |
| C16 | C19 | C18 | H54 | 180.0° | 180.0° |
| C16 | C19 | C18 | C36 | 0.9° | 0.3° |
| C16 | C19 | C18 | H53 | 179.1° | 180.0° |
| C19 | C16 | C17 | H52 | 175.1° | 180.0° |
| C37 | N38 | N39 | H62 | 180.0° | 179.9° |
| C37 | N38 | N39 | C40 | 0.2° | 0.2° |
| N38 | C37 | C36 | C18 | 176.9° | 179.8° |
| N38 | C37 | C36 | C40 | 0.8° | 0.1° |
| N38 | C37 | C17 | H52 | 7.3° | 0.2° |
| N39 | N38 | C37 | C36 | 0.7° | 0.2° |
| N38 | N39 | C40 | C36 | 0.3° | 0.1° |
| N38 | N39 | C40 | N41 | 177.9° | 179.9° |
| C37 | C36 | C18 | C19 | 2.0° | 0.3° |
| C37 | C36 | C40 | N39 | 0.7° | 0.0° |
| C37 | C36 | C18 | C40 | 176.8° | 179.9° |
| C37 | C36 | C40 | N41 | 177.3° | 180.0° |
| C37 | C36 | C18 | H53 | 178.0° | 180.0° |
| C36 | C37 | C17 | H52 | 176.1° | 180.0° |
| C36 | C37 | N38 | H62 | 179.3° | 179.7° |
| C19 | C18 | C36 | H53 | 180.0° | 179.7° |
| C19 | C18 | C36 | C40 | 174.8° | 179.8° |
| N39 | C40 | C36 | C18 | 176.3° | 179.9° |
| N39 | C40 | C36 | N41 | 178.0° | 180.0° |
| C40 | N39 | N38 | H62 | 179.7° | 179.7° |
| N39 | C40 | N41 | H63 | 0.0° | 180.0° |
| N39 | C40 | N41 | H64 | 120.0° | 0.0° |
| C18 | C36 | C40 | N41 | 5.7° | 0.1° |
| C36 | C18 | C19 | H54 | 179.0° | 179.7° |
| C40 | C36 | C18 | H53 | 5.2° | 0.1° |
| C36 | C40 | N41 | H63 | 177.8° | 0.0° |
| C36 | C40 | N41 | H64 | 57.8° | 180.0° |
| C40 | N41 | H63 | H64 | 120.0° | 180.0° |
| H53 | C18 | C19 | H54 | 1.0° | 0.0° |
| H56 | C23 | N21 | H55 | 132.9° | 119.9° |
| H57 | C23 | N21 | H55 | 108.3° | 120.0° |
| H59 | C27 | C26 | H58 | 0.4° | 0.0° |
| H42 | C1 | C6 | H46 | 0.3° | 0.4° |
| H43 | C3 | C4 | H44 | 1.8° | 0.0° |
| H44 | C4 | C5 | H45 | 0.2° | 0.0° |
| H45 | C5 | C6 | H46 | 0.9° | 0.1° |
| H48 | C7 | C8 | H49 | 176.8° | 65.0° |
| H47 | C7 | C8 | H49 | 64.3° | 175.0° |
| H49 | C8 | N9 | H50 | 142.5° | 145.0° |
