YE0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | F42 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | S30 | sing | 1.76Å | 1.69Å | |
| C7 | O8 | doub | 1.22Å | 1.25Å | |
| C7 | N9 | sing | 1.35Å | 1.33Å | |
| N9 | C10 | sing | 1.50Å | 1.51Å | |
| N9 | C11 | sing | 1.49Å | 1.50Å | |
| C10 | C13 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | sing | 1.49Å | 1.53Å | |
| C12 | C13 | sing | 1.58Å | 1.57Å | |
| C12 | C16 | sing | 1.49Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | N15 | sing | 1.50Å | 1.49Å | |
| N15 | C16 | sing | 1.49Å | 1.54Å | |
| N15 | C19 | sing | 1.35Å | 1.35Å | |
| C19 | C20 | sing | 1.48Å | 1.49Å | |
| C19 | O21 | doub | 1.21Å | 1.24Å | |
| C20 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N24 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C27 | sing | 1.51Å | 1.48Å | |
| N24 | C25 | sing | 1.32Å | 1.35Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | O34 | sing | 1.36Å | 1.36Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| S30 | N31 | sing | 1.66Å | 1.67Å | |
| S30 | O32 | doub | 1.42Å | 1.45Å | |
| S30 | O33 | doub | 1.42Å | 1.41Å | |
| O34 | C35 | sing | 1.43Å | 1.42Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | C41 | sing | 1.53Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.57Å | |
| C38 | O39 | sing | 1.43Å | 1.42Å | |
| O39 | C40 | sing | 1.43Å | 1.42Å | |
| C40 | C41 | sing | 1.53Å | 1.59Å | |
| C10 | H47 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.09Å | 1.10Å | |
| C11 | H48 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H52 | sing | 1.09Å | 1.10Å | |
| C16 | H53 | sing | 1.09Å | 1.10Å | |
| C22 | H54 | sing | 1.08Å | 1.08Å | |
| C26 | H55 | sing | 1.08Å | 1.08Å | |
| C27 | H56 | sing | 1.09Å | 1.10Å | |
| C28 | H57 | sing | 1.09Å | 1.10Å | |
| C28 | H58 | sing | 1.09Å | 1.10Å | |
| C2 | H43 | sing | 1.08Å | 1.08Å | |
| C3 | H44 | sing | 1.08Å | 1.08Å | |
| C5 | H45 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H51 | sing | 1.09Å | 1.10Å | |
| C14 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H60 | sing | 1.09Å | 1.10Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| N31 | H61 | sing | 0.97Å | 1.00Å | |
| N31 | H62 | sing | 0.97Å | 1.00Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C36 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 120.5° | 119.7° |
| C2 | C1 | C7 | 119.6° | 120.1° |
| C1 | C2 | C3 | 117.9° | 119.9° |
| C1 | C2 | H43 | 121.1° | 120.1° |
| C4 | C1 | C7 | 119.9° | 120.2° |
| C1 | C4 | C5 | 121.8° | 119.8° |
| C1 | C4 | F42 | 119.6° | 120.1° |
| C1 | C7 | O8 | 120.5° | 120.0° |
| C1 | C7 | N9 | 119.1° | 120.0° |
| C2 | C3 | C6 | 121.3° | 120.2° |
| C3 | C2 | H43 | 121.0° | 120.0° |
| C2 | C3 | H44 | 119.3° | 119.9° |
| C3 | C6 | C5 | 120.5° | 120.3° |
| C3 | C6 | S30 | 119.1° | 119.8° |
| C6 | C3 | H44 | 119.4° | 119.9° |
| C5 | C4 | F42 | 118.6° | 120.1° |
| C4 | C5 | C6 | 117.9° | 120.1° |
| C4 | C5 | H45 | 121.0° | 119.9° |
| C5 | C6 | S30 | 120.4° | 119.8° |
| C6 | C5 | H45 | 121.0° | 119.9° |
| C6 | S30 | N31 | 102.7° | 107.2° |
| C6 | S30 | O32 | 104.6° | 106.4° |
| C6 | S30 | O33 | 113.5° | 106.4° |
| O8 | C7 | N9 | 120.4° | 120.0° |
| C7 | N9 | C10 | 115.6° | 126.1° |
| C7 | N9 | C11 | 124.2° | 126.1° |
| C10 | N9 | C11 | 115.3° | 107.8° |
| N9 | C10 | C13 | 101.3° | 102.4° |
| N9 | C10 | H47 | 111.5° | 110.9° |
| N9 | C10 | H46 | 111.5° | 111.0° |
| N9 | C11 | C12 | 98.5° | 104.6° |
| N9 | C11 | H48 | 112.2° | 110.4° |
| N9 | C11 | H49 | 112.1° | 110.5° |
| C10 | C13 | C12 | 104.3° | 97.8° |
| C10 | C13 | C14 | 121.7° | 124.1° |
| C13 | C10 | H47 | 111.5° | 110.8° |
| C13 | C10 | H46 | 111.5° | 110.8° |
| C10 | C13 | H18 | 111.1° | 111.2° |
| C11 | C12 | C13 | 104.1° | 100.7° |
| C11 | C12 | C16 | 128.6° | 129.3° |
| C12 | C11 | H48 | 112.1° | 110.4° |
| C12 | C11 | H49 | 112.1° | 110.4° |
| C11 | C12 | H17 | 107.9° | 108.6° |
| C13 | C12 | C16 | 99.2° | 100.7° |
| C12 | C13 | C14 | 97.4° | 97.8° |
| C12 | C13 | H18 | 109.9° | 112.6° |
| C13 | C12 | H17 | 107.4° | 107.5° |
| C12 | C16 | N15 | 98.1° | 104.6° |
| C12 | C16 | H52 | 112.3° | 110.5° |
| C12 | C16 | H53 | 112.2° | 110.4° |
| C16 | C12 | H17 | 107.7° | 107.9° |
| C13 | C14 | N15 | 97.7° | 102.4° |
| C14 | C13 | H18 | 110.9° | 111.2° |
| C13 | C14 | H51 | 112.3° | 110.9° |
| C13 | C14 | H50 | 112.3° | 110.8° |
| C14 | N15 | C16 | 111.6° | 107.8° |
| C14 | N15 | C19 | 123.4° | 126.1° |
| N15 | C14 | H51 | 112.3° | 110.9° |
| N15 | C14 | H50 | 112.3° | 110.8° |
| C16 | N15 | C19 | 125.0° | 126.1° |
| N15 | C16 | H52 | 112.2° | 110.4° |
| N15 | C16 | H53 | 112.2° | 110.5° |
| N15 | C19 | C20 | 121.3° | 120.0° |
| N15 | C19 | O21 | 117.4° | 120.0° |
| C20 | C19 | O21 | 121.1° | 120.0° |
| C19 | C20 | C22 | 117.7° | 120.9° |
| C19 | C20 | C26 | 121.2° | 120.9° |
| C22 | C20 | C26 | 121.0° | 118.2° |
| C20 | C22 | C23 | 118.2° | 119.1° |
| C20 | C22 | H54 | 120.9° | 120.4° |
| C20 | C26 | C25 | 114.5° | 118.9° |
| C20 | C26 | H55 | 122.8° | 120.5° |
| C22 | C23 | N24 | 124.5° | 121.0° |
| C22 | C23 | C27 | 120.0° | 119.5° |
| C23 | C22 | H54 | 120.9° | 120.5° |
| N24 | C23 | C27 | 115.5° | 119.6° |
| C23 | N24 | C25 | 115.6° | 122.0° |
| C23 | C27 | C28 | 120.0° | 117.5° |
| C23 | C27 | C29 | 120.5° | 117.5° |
| C23 | C27 | H56 | 115.7° | 115.5° |
| N24 | C25 | C26 | 126.2° | 120.8° |
| N24 | C25 | O34 | 119.8° | 119.7° |
| C26 | C25 | O34 | 113.9° | 119.6° |
| C25 | C26 | H55 | 122.8° | 120.6° |
| C25 | O34 | C35 | 115.7° | 117.0° |
| C28 | C27 | C29 | 60.1° | 60.1° |
| C27 | C28 | C29 | 60.8° | 60.0° |
| C28 | C27 | H56 | 114.9° | 117.4° |
| C27 | C28 | H57 | 119.9° | 117.5° |
| C27 | C28 | H58 | 119.9° | 117.5° |
| C27 | C29 | C28 | 59.1° | 60.0° |
| C29 | C27 | H56 | 114.4° | 117.5° |
| C27 | C29 | H60 | 120.2° | 117.5° |
| C27 | C29 | H59 | 120.1° | 117.5° |
| C29 | C28 | H57 | 119.9° | 117.5° |
| C29 | C28 | H58 | 119.9° | 117.4° |
| C28 | C29 | H60 | 120.2° | 117.5° |
| C28 | C29 | H59 | 120.1° | 117.4° |
| N31 | S30 | O32 | 104.3° | 106.4° |
| N31 | S30 | O33 | 111.2° | 106.4° |
| S30 | N31 | H61 | 109.5° | 120.0° |
| S30 | N31 | H62 | 109.5° | 120.0° |
| O32 | S30 | O33 | 118.9° | 123.2° |
| O34 | C35 | C36 | 104.5° | 109.4° |
| O34 | C35 | H64 | 110.7° | 109.5° |
| O34 | C35 | H63 | 110.7° | 109.5° |
| C35 | C36 | C37 | 105.1° | 109.5° |
| C35 | C36 | C41 | 108.5° | 109.5° |
| C36 | C35 | H64 | 110.7° | 109.5° |
| C36 | C35 | H63 | 110.7° | 109.5° |
| C35 | C36 | H65 | 110.7° | 109.6° |
| C37 | C36 | C41 | 110.9° | 109.0° |
| C36 | C37 | C38 | 109.3° | 109.2° |
| C37 | C36 | H65 | 110.8° | 109.6° |
| C36 | C37 | H67 | 109.5° | 109.5° |
| C36 | C37 | H66 | 109.5° | 109.5° |
| C36 | C41 | C40 | 113.8° | 109.1° |
| C41 | C36 | H65 | 110.8° | 109.6° |
| C36 | C41 | H73 | 108.4° | 109.6° |
| C36 | C41 | H72 | 108.4° | 109.5° |
| C37 | C38 | O39 | 108.0° | 109.4° |
| C38 | C37 | H67 | 109.5° | 109.5° |
| C38 | C37 | H66 | 109.5° | 109.6° |
| C37 | C38 | H68 | 109.8° | 109.5° |
| C37 | C38 | H69 | 109.8° | 109.5° |
| C38 | O39 | C40 | 114.0° | 114.1° |
| O39 | C38 | H68 | 109.8° | 109.4° |
| O39 | C38 | H69 | 109.8° | 109.5° |
| O39 | C40 | C41 | 114.0° | 109.4° |
| O39 | C40 | H71 | 108.3° | 109.5° |
| O39 | C40 | H70 | 108.3° | 109.5° |
| C41 | C40 | H71 | 108.3° | 109.5° |
| C41 | C40 | H70 | 108.3° | 109.5° |
| C40 | C41 | H73 | 108.4° | 109.5° |
| C40 | C41 | H72 | 108.4° | 109.5° |
| H47 | C10 | H46 | 109.4° | 110.7° |
| H48 | C11 | H49 | 109.5° | 110.4° |
| H52 | C16 | H53 | 109.5° | 110.3° |
| H57 | C28 | H58 | 109.4° | 115.6° |
| H51 | C14 | H50 | 109.5° | 110.9° |
| H60 | C29 | H59 | 109.5° | 115.6° |
| H61 | N31 | H62 | 109.4° | 120.0° |
| H64 | C35 | H63 | 109.4° | 109.5° |
| H67 | C37 | H66 | 109.5° | 109.5° |
| H68 | C38 | H69 | 109.5° | 109.5° |
| H71 | C40 | H70 | 109.5° | 109.4° |
| H73 | C41 | H72 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | C7 | 179.5° | 179.8° |
| C1 | C2 | C3 | H43 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 0.7° | 0.1° |
| C2 | C1 | C4 | C5 | 0.7° | 0.0° |
| C2 | C1 | C4 | F42 | 178.5° | 180.0° |
| C2 | C1 | C7 | O8 | 56.6° | 138.9° |
| C2 | C1 | C7 | N9 | 125.3° | 41.1° |
| C1 | C2 | C3 | H44 | 179.3° | 180.0° |
| C4 | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C4 | C5 | F42 | 179.2° | 180.0° |
| C1 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C1 | C7 | O8 | 122.9° | 41.3° |
| C4 | C1 | C7 | N9 | 55.3° | 138.7° |
| C4 | C1 | C2 | H43 | 179.7° | 180.0° |
| C1 | C4 | C5 | H45 | 180.0° | 180.0° |
| C7 | C1 | C2 | C3 | 179.1° | 179.7° |
| C7 | C1 | C4 | C5 | 178.8° | 179.8° |
| C7 | C1 | C4 | F42 | 2.1° | 0.3° |
| C1 | C7 | O8 | N9 | 178.1° | 180.0° |
| C1 | C7 | N9 | C10 | 55.8° | 174.8° |
| C1 | C7 | N9 | C11 | 150.4° | 5.3° |
| C7 | C1 | C2 | H43 | 0.8° | 0.2° |
| C2 | C3 | C6 | H44 | 180.0° | 179.9° |
| C2 | C3 | C6 | C5 | 1.4° | 0.1° |
| C2 | C3 | C6 | S30 | 178.3° | 180.0° |
| C3 | C6 | C5 | C4 | 1.0° | 0.0° |
| C3 | C6 | C5 | S30 | 179.6° | 179.9° |
| C3 | C6 | S30 | N31 | 84.1° | 89.9° |
| C3 | C6 | S30 | O32 | 24.6° | 156.5° |
| C3 | C6 | S30 | O33 | 155.7° | 23.6° |
| C6 | C3 | C2 | H43 | 179.3° | 180.0° |
| C3 | C6 | C5 | H45 | 179.0° | 179.9° |
| C4 | C5 | C6 | H45 | 180.0° | 180.0° |
| C4 | C5 | C6 | S30 | 178.6° | 180.0° |
| F42 | C4 | C5 | C6 | 179.2° | 180.0° |
| F42 | C4 | C5 | H45 | 0.9° | 0.1° |
| C5 | C6 | S30 | N31 | 96.2° | 90.0° |
| C5 | C6 | S30 | O32 | 155.1° | 23.5° |
| C5 | C6 | S30 | O33 | 23.9° | 156.5° |
| C5 | C6 | C3 | H44 | 178.6° | 180.0° |
| C6 | S30 | N31 | O32 | 108.9° | 113.6° |
| C6 | S30 | N31 | O33 | 121.8° | 113.5° |
| C6 | S30 | O32 | O33 | 128.0° | 123.0° |
| S30 | C6 | C3 | H44 | 1.8° | 0.1° |
| S30 | C6 | C5 | H45 | 1.3° | 0.0° |
| C6 | S30 | N31 | H61 | 180.0° | 150.0° |
| C6 | S30 | N31 | H62 | 60.0° | 29.9° |
| O8 | C7 | N9 | C10 | 126.1° | 5.3° |
| O8 | C7 | N9 | C11 | 27.8° | 174.7° |
| C7 | N9 | C10 | C11 | 156.2° | 180.0° |
| C7 | N9 | C10 | C13 | 150.2° | 154.2° |
| C7 | N9 | C11 | C12 | 172.8° | 173.2° |
| C7 | N9 | C10 | H47 | 31.6° | 87.6° |
| C7 | N9 | C10 | H46 | 91.1° | 35.9° |
| C7 | N9 | C11 | H48 | 69.0° | 54.5° |
| C7 | N9 | C11 | H49 | 54.7° | 68.0° |
| N9 | C10 | C13 | H47 | 118.7° | 118.2° |
| N9 | C10 | C13 | H46 | 118.7° | 118.4° |
| C10 | N9 | C11 | C12 | 18.9° | 6.7° |
| N9 | C10 | C13 | C12 | 28.0° | 45.6° |
| N9 | C10 | C13 | C14 | 136.3° | 150.6° |
| N9 | C10 | H47 | H46 | 123.8° | 123.7° |
| C10 | N9 | C11 | H48 | 137.1° | 125.5° |
| C10 | N9 | C11 | H49 | 99.2° | 112.1° |
| N9 | C10 | C13 | H18 | 90.4° | 72.3° |
| C11 | N9 | C10 | C13 | 6.0° | 25.9° |
| N9 | C11 | C12 | H48 | 118.2° | 118.8° |
| N9 | C11 | C12 | H49 | 118.2° | 118.9° |
| N9 | C11 | C12 | C13 | 35.0° | 35.0° |
| N9 | C11 | C12 | C16 | 149.4° | 148.4° |
| C11 | N9 | C10 | H47 | 124.6° | 92.4° |
| C11 | N9 | C10 | H46 | 112.7° | 144.1° |
| N9 | C11 | H48 | H49 | 125.1° | 122.5° |
| N9 | C11 | C12 | H17 | 78.8° | 77.7° |
| C10 | C13 | C12 | C11 | 41.7° | 50.1° |
| C10 | C13 | C12 | C14 | 125.4° | 126.2° |
| C10 | C13 | C12 | H18 | 119.1° | 116.9° |
| C10 | C13 | C12 | C16 | 175.6° | 176.3° |
| C10 | C13 | C14 | H18 | 133.4° | 137.1° |
| C10 | C13 | C14 | N15 | 163.8° | 150.6° |
| C13 | C10 | H47 | H46 | 123.8° | 123.4° |
| C10 | C13 | C12 | H17 | 72.5° | 63.5° |
| C10 | C13 | C14 | H51 | 78.2° | 91.2° |
| C10 | C13 | C14 | H50 | 45.7° | 32.4° |
| C11 | C12 | C13 | C16 | 133.8° | 133.7° |
| C11 | C12 | C13 | H17 | 114.2° | 113.5° |
| C11 | C12 | C16 | H17 | 131.8° | 134.1° |
| C11 | C12 | C13 | C14 | 167.2° | 176.3° |
| C11 | C12 | C16 | N15 | 155.3° | 148.4° |
| C12 | C11 | H48 | H49 | 125.1° | 122.4° |
| C11 | C12 | C13 | H18 | 77.4° | 66.8° |
| C11 | C12 | C16 | H52 | 86.6° | 92.8° |
| C11 | C12 | C16 | H53 | 37.2° | 29.5° |
| C13 | C12 | C16 | H17 | 111.7° | 112.5° |
| C12 | C13 | C14 | H18 | 114.7° | 118.0° |
| C12 | C13 | C14 | N15 | 51.8° | 45.6° |
| C13 | C12 | C16 | N15 | 38.8° | 35.0° |
| C12 | C13 | C10 | H47 | 146.7° | 72.6° |
| C12 | C13 | C10 | H46 | 90.7° | 164.1° |
| C13 | C12 | C11 | H48 | 153.2° | 153.8° |
| C13 | C12 | C11 | H49 | 83.1° | 83.9° |
| C13 | C12 | C16 | H52 | 156.9° | 153.8° |
| C13 | C12 | C16 | H53 | 79.3° | 83.9° |
| C12 | C13 | C14 | H51 | 169.9° | 163.9° |
| C12 | C13 | C14 | H50 | 66.2° | 72.6° |
| C16 | C12 | C13 | C14 | 59.0° | 50.1° |
| C12 | C16 | N15 | C14 | 7.2° | 6.8° |
| C12 | C16 | N15 | H52 | 118.1° | 118.8° |
| C12 | C16 | N15 | H53 | 118.1° | 118.9° |
| C12 | C16 | N15 | C19 | 174.5° | 173.3° |
| C16 | C12 | C11 | H48 | 92.4° | 92.8° |
| C16 | C12 | C11 | H49 | 31.2° | 29.5° |
| C16 | C12 | C13 | H18 | 56.4° | 66.8° |
| C12 | C16 | H52 | H53 | 125.3° | 122.4° |
| C13 | C14 | N15 | H51 | 118.0° | 118.3° |
| C13 | C14 | N15 | H50 | 118.1° | 118.2° |
| C13 | C14 | N15 | C16 | 29.0° | 25.8° |
| C13 | C14 | N15 | C19 | 149.4° | 154.2° |
| C14 | C13 | C10 | H47 | 105.0° | 32.4° |
| C14 | C13 | C10 | H46 | 17.6° | 91.0° |
| C14 | C13 | C12 | H17 | 53.0° | 62.7° |
| C13 | C14 | H51 | H50 | 125.5° | 123.5° |
| C14 | N15 | C16 | C19 | 178.4° | 179.9° |
| C14 | N15 | C19 | C20 | 4.2° | 174.5° |
| C14 | N15 | C19 | O21 | 172.6° | 5.4° |
| N15 | C14 | C13 | H18 | 62.8° | 72.4° |
| C14 | N15 | C16 | H52 | 125.3° | 125.6° |
| C14 | N15 | C16 | H53 | 110.9° | 112.1° |
| N15 | C14 | H51 | H50 | 125.5° | 123.5° |
| C16 | N15 | C19 | C20 | 173.9° | 5.4° |
| C16 | N15 | C19 | O21 | 9.3° | 174.6° |
| N15 | C16 | H52 | H53 | 125.3° | 122.5° |
| N15 | C16 | C12 | H17 | 72.9° | 77.5° |
| C16 | N15 | C14 | H51 | 147.0° | 144.1° |
| C16 | N15 | C14 | H50 | 89.1° | 92.4° |
| N15 | C19 | C20 | O21 | 176.7° | 180.0° |
| N15 | C19 | C20 | C22 | 70.7° | 151.0° |
| N15 | C19 | C20 | C26 | 113.3° | 28.7° |
| C19 | N15 | C16 | H52 | 56.4° | 54.4° |
| C19 | N15 | C16 | H53 | 67.4° | 67.9° |
| C19 | N15 | C14 | H51 | 31.4° | 35.9° |
| C19 | N15 | C14 | H50 | 92.5° | 87.7° |
| C19 | C20 | C22 | C26 | 176.0° | 179.7° |
| C19 | C20 | C22 | C23 | 175.1° | 180.0° |
| C19 | C20 | C26 | C25 | 173.9° | 179.9° |
| C19 | C20 | C22 | H54 | 5.0° | 0.1° |
| C19 | C20 | C26 | H55 | 6.1° | 0.0° |
| O21 | C19 | C20 | C22 | 112.6° | 29.0° |
| O21 | C19 | C20 | C26 | 63.4° | 151.3° |
| C20 | C22 | C23 | H54 | 180.0° | 179.9° |
| C20 | C22 | C23 | N24 | 1.5° | 0.0° |
| C20 | C22 | C23 | C27 | 175.9° | 180.0° |
| C22 | C20 | C26 | C25 | 2.0° | 0.2° |
| C22 | C20 | C26 | H55 | 178.0° | 179.7° |
| C26 | C20 | C22 | C23 | 0.9° | 0.3° |
| C20 | C26 | C25 | N24 | 0.9° | 0.1° |
| C20 | C26 | C25 | H55 | 180.0° | 179.9° |
| C20 | C26 | C25 | O34 | 178.5° | 180.0° |
| C26 | C20 | C22 | H54 | 179.0° | 179.8° |
| C22 | C23 | N24 | C27 | 177.5° | 180.0° |
| C22 | C23 | N24 | C25 | 2.5° | 0.3° |
| C22 | C23 | C27 | C28 | 151.9° | 85.1° |
| C22 | C23 | C27 | C29 | 137.2° | 16.4° |
| C22 | C23 | C27 | H56 | 7.3° | 129.4° |
| C23 | N24 | C25 | C26 | 1.3° | 0.3° |
| C23 | N24 | C25 | O34 | 176.2° | 179.7° |
| N24 | C23 | C27 | C28 | 25.7° | 94.9° |
| N24 | C23 | C27 | C29 | 45.1° | 163.6° |
| N24 | C23 | C22 | H54 | 178.5° | 180.0° |
| N24 | C23 | C27 | H56 | 170.3° | 50.6° |
| C27 | C23 | N24 | C25 | 175.0° | 179.7° |
| C23 | C27 | C28 | C29 | 110.1° | 107.5° |
| C23 | C27 | C28 | H56 | 144.9° | 144.9° |
| C23 | C27 | C29 | H56 | 144.9° | 145.0° |
| C27 | C23 | C22 | H54 | 4.1° | 0.0° |
| C23 | C27 | C28 | H57 | 140.2° | 145.0° |
| C23 | C27 | C28 | H58 | 0.4° | 0.1° |
| C23 | C27 | C29 | H60 | 0.1° | 0.0° |
| C23 | C27 | C29 | H59 | 141.5° | 145.1° |
| N24 | C25 | C26 | O34 | 177.6° | 180.0° |
| N24 | C25 | O34 | C35 | 4.8° | 0.0° |
| N24 | C25 | C26 | H55 | 179.1° | 180.0° |
| C26 | C25 | O34 | C35 | 177.4° | 180.0° |
| C25 | O34 | C35 | C36 | 173.7° | 180.0° |
| O34 | C25 | C26 | H55 | 1.5° | 0.1° |
| C25 | O34 | C35 | H64 | 54.5° | 60.0° |
| C25 | O34 | C35 | H63 | 67.0° | 60.0° |
| C28 | C27 | C29 | H56 | 105.8° | 107.4° |
| C27 | C28 | C29 | H57 | 109.7° | 107.5° |
| C27 | C28 | C29 | H58 | 109.7° | 107.5° |
| C27 | C28 | H57 | H58 | 144.3° | 145.8° |
| C28 | C27 | C29 | H60 | 109.2° | 107.5° |
| C28 | C27 | C29 | H59 | 109.2° | 107.4° |
| C27 | C29 | H60 | H59 | 145.2° | 145.8° |
| C29 | C28 | H57 | H58 | 144.3° | 145.6° |
| C28 | C29 | H60 | H59 | 145.2° | 145.6° |
| N31 | S30 | O32 | O33 | 124.5° | 122.9° |
| S30 | N31 | H61 | H62 | 120.0° | 179.9° |
| O32 | S30 | N31 | H61 | 71.1° | 36.4° |
| O32 | S30 | N31 | H62 | 168.9° | 143.5° |
| O33 | S30 | N31 | H61 | 58.2° | 96.5° |
| O33 | S30 | N31 | H62 | 61.8° | 83.6° |
| O34 | C35 | C36 | H64 | 119.2° | 120.0° |
| O34 | C35 | C36 | H63 | 119.2° | 120.0° |
| O34 | C35 | C36 | C37 | 179.6° | 175.0° |
| O34 | C35 | C36 | C41 | 60.9° | 65.5° |
| O34 | C35 | H64 | H63 | 122.3° | 120.0° |
| O34 | C35 | C36 | H65 | 60.8° | 54.8° |
| C35 | C36 | C37 | C41 | 117.0° | 119.8° |
| C35 | C36 | C37 | H65 | 119.5° | 120.2° |
| C35 | C36 | C41 | H65 | 121.7° | 120.3° |
| C35 | C36 | C37 | C38 | 170.0° | 176.9° |
| C35 | C36 | C41 | C40 | 155.5° | 176.9° |
| C36 | C35 | H64 | H63 | 122.3° | 120.0° |
| C35 | C36 | C37 | H67 | 70.0° | 63.3° |
| C35 | C36 | C37 | H66 | 50.0° | 56.8° |
| C35 | C36 | C41 | H73 | 34.9° | 56.9° |
| C35 | C36 | C41 | H72 | 83.8° | 63.3° |
| C37 | C36 | C41 | H65 | 123.4° | 119.9° |
| C36 | C37 | C38 | H67 | 120.0° | 119.8° |
| C36 | C37 | C38 | H66 | 120.0° | 120.0° |
| C36 | C37 | C38 | O39 | 64.8° | 57.6° |
| C37 | C36 | C41 | C40 | 40.6° | 57.0° |
| C37 | C36 | C35 | H64 | 61.2° | 55.0° |
| C37 | C36 | C35 | H63 | 60.3° | 65.0° |
| C36 | C37 | H67 | H66 | 120.1° | 120.1° |
| C36 | C37 | C38 | H68 | 55.0° | 62.3° |
| C36 | C37 | C38 | H69 | 175.5° | 177.6° |
| C37 | C36 | C41 | H73 | 80.0° | 62.9° |
| C37 | C36 | C41 | H72 | 161.3° | 176.9° |
| C41 | C36 | C37 | C38 | 53.0° | 57.1° |
| C36 | C41 | C40 | O39 | 39.2° | 57.7° |
| C36 | C41 | C40 | H73 | 120.6° | 120.0° |
| C36 | C41 | C40 | H72 | 120.6° | 119.9° |
| C41 | C36 | C35 | H64 | 179.9° | 174.5° |
| C41 | C36 | C35 | H63 | 58.3° | 54.5° |
| C41 | C36 | C37 | H67 | 173.0° | 176.9° |
| C41 | C36 | C37 | H66 | 67.0° | 63.0° |
| C36 | C41 | C40 | H71 | 81.4° | 62.4° |
| C36 | C41 | C40 | H70 | 159.9° | 177.6° |
| C36 | C41 | H73 | H72 | 118.0° | 120.2° |
| C37 | C38 | O39 | H68 | 119.8° | 120.0° |
| C37 | C38 | O39 | H69 | 119.8° | 120.0° |
| C37 | C38 | O39 | C40 | 65.0° | 61.2° |
| C38 | C37 | C36 | H65 | 70.4° | 62.9° |
| C38 | C37 | H67 | H66 | 120.0° | 120.2° |
| C37 | C38 | H68 | H69 | 120.7° | 120.1° |
| C38 | O39 | C40 | C41 | 52.6° | 61.2° |
| O39 | C38 | C37 | H67 | 175.3° | 177.5° |
| O39 | C38 | C37 | H66 | 55.2° | 62.3° |
| O39 | C38 | H68 | H69 | 120.7° | 120.0° |
| C38 | O39 | C40 | H71 | 68.1° | 58.9° |
| C38 | O39 | C40 | H70 | 173.2° | 178.9° |
| O39 | C40 | C41 | H71 | 120.7° | 120.0° |
| O39 | C40 | C41 | H70 | 120.6° | 120.0° |
| C40 | O39 | C38 | H68 | 54.8° | 58.8° |
| C40 | O39 | C38 | H69 | 175.2° | 178.9° |
| O39 | C40 | H71 | H70 | 117.9° | 120.0° |
| O39 | C40 | C41 | H73 | 81.4° | 62.3° |
| O39 | C40 | C41 | H72 | 159.9° | 177.5° |
| C40 | C41 | C36 | H65 | 82.8° | 62.9° |
| C41 | C40 | H71 | H70 | 117.9° | 120.0° |
| C40 | C41 | H73 | H72 | 118.0° | 120.1° |
| H47 | C10 | C13 | H18 | 28.3° | 169.4° |
| H46 | C10 | C13 | H18 | 150.9° | 46.1° |
| H48 | C11 | C12 | H17 | 39.4° | 41.0° |
| H49 | C11 | C12 | H17 | 163.0° | 163.4° |
| H18 | C13 | C12 | H17 | 168.4° | 179.6° |
| H18 | C13 | C14 | H51 | 55.2° | 45.9° |
| H18 | C13 | C14 | H50 | 179.1° | 169.4° |
| H52 | C16 | C12 | H17 | 45.2° | 41.3° |
| H53 | C16 | C12 | H17 | 169.0° | 163.6° |
| H56 | C27 | C28 | H57 | 4.7° | 0.1° |
| H56 | C27 | C28 | H58 | 145.3° | 145.0° |
| H56 | C27 | C29 | H60 | 145.0° | 145.1° |
| H56 | C27 | C29 | H59 | 3.5° | 0.0° |
| H57 | C28 | C29 | H60 | 141.1° | 145.1° |
| H57 | C28 | C29 | H59 | 0.4° | 0.0° |
| H58 | C28 | C29 | H60 | 0.4° | 0.0° |
| H58 | C28 | C29 | H59 | 141.1° | 145.0° |
| H43 | C2 | C3 | H44 | 0.7° | 0.0° |
| H64 | C35 | C36 | H65 | 58.4° | 65.2° |
| H63 | C35 | C36 | H65 | 179.9° | 174.8° |
| H65 | C36 | C37 | H67 | 49.5° | 56.9° |
| H65 | C36 | C37 | H66 | 169.6° | 177.1° |
| H65 | C36 | C41 | H73 | 156.6° | 177.2° |
| H65 | C36 | C41 | H72 | 37.8° | 57.0° |
| H67 | C37 | C38 | H68 | 64.9° | 57.6° |
| H67 | C37 | C38 | H69 | 55.5° | 62.6° |
| H66 | C37 | C38 | H68 | 175.0° | 177.7° |
| H66 | C37 | C38 | H69 | 64.5° | 57.6° |
| H71 | C40 | C41 | H73 | 157.9° | 177.7° |
| H71 | C40 | C41 | H72 | 39.2° | 57.5° |
| H70 | C40 | C41 | H73 | 39.2° | 57.7° |
| H70 | C40 | C41 | H72 | 79.5° | 62.5° |
