YQ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.41Å | |
| C2 | S3 | sing | 1.81Å | 1.92Å | |
| C2 | C7 | sing | 1.53Å | 1.63Å | |
| C2 | C11 | sing | 1.53Å | 1.56Å | |
| S3 | O4 | doub | 1.42Å | 1.52Å | |
| S3 | O5 | doub | 1.42Å | 1.46Å | |
| S3 | N6 | sing | 1.66Å | 1.62Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | N9 | sing | 1.47Å | 1.50Å | |
| N9 | C10 | sing | 1.47Å | 1.52Å | |
| N9 | C12 | sing | 1.35Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.63Å | |
| C12 | N13 | sing | 1.35Å | 1.41Å | |
| C12 | O40 | doub | 1.22Å | 1.23Å | |
| N13 | C14 | sing | 1.47Å | 1.52Å | |
| N13 | C39 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | doub | 1.30Å | 1.32Å | |
| C15 | C38 | sing | 1.51Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C16 | C39 | sing | 1.51Å | 1.49Å | |
| C17 | N18 | sing | 1.47Å | 1.53Å | |
| N18 | C19 | sing | 1.35Å | 1.37Å | |
| N18 | C38 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.48Å | 1.50Å | |
| C19 | O37 | doub | 1.22Å | 1.21Å | |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C36 | sing | 1.40Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.47Å | |
| C22 | N26 | doub | 1.32Å | 1.35Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| N26 | C27 | sing | 1.32Å | 1.34Å | Aromatic |
| C27 | O28 | sing | 1.36Å | 1.37Å | |
| C27 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C35 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | O33 | sing | 1.43Å | 1.43Å | |
| O33 | C34 | sing | 1.43Å | 1.40Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C10 | H48 | sing | 1.09Å | 1.10Å | |
| C10 | H47 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.09Å | 1.10Å | |
| C11 | H50 | sing | 1.09Å | 1.10Å | |
| C17 | H53 | sing | 1.09Å | 1.10Å | |
| C17 | H54 | sing | 1.09Å | 1.10Å | |
| C21 | H55 | sing | 1.08Å | 1.08Å | |
| C23 | H56 | sing | 1.09Å | 1.10Å | |
| C24 | H57 | sing | 1.09Å | 1.10Å | |
| C24 | H58 | sing | 1.09Å | 1.10Å | |
| C25 | H60 | sing | 1.09Å | 1.10Å | |
| C25 | H59 | sing | 1.09Å | 1.10Å | |
| N6 | H41 | sing | 0.97Å | 1.00Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å | |
| C7 | H44 | sing | 1.09Å | 1.10Å | |
| C7 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H46 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| C14 | H52 | sing | 1.09Å | 1.10Å | |
| C14 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H62 | sing | 1.09Å | 1.10Å | |
| C29 | H61 | sing | 1.09Å | 1.10Å | |
| C30 | H63 | sing | 1.09Å | 1.10Å | |
| C31 | H65 | sing | 1.09Å | 1.10Å | |
| C31 | H64 | sing | 1.09Å | 1.10Å | |
| C32 | H66 | sing | 1.09Å | 1.10Å | |
| C32 | H67 | sing | 1.09Å | 1.10Å | |
| C34 | H69 | sing | 1.09Å | 1.10Å | |
| C34 | H68 | sing | 1.09Å | 1.10Å | |
| C35 | H71 | sing | 1.09Å | 1.10Å | |
| C35 | H70 | sing | 1.09Å | 1.10Å | |
| C36 | H72 | sing | 1.08Å | 1.08Å | |
| C38 | H74 | sing | 1.09Å | 1.10Å | |
| C38 | H73 | sing | 1.09Å | 1.10Å | |
| C39 | H75 | sing | 1.09Å | 1.10Å | |
| C39 | H76 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | S3 | 107.8° | 109.5° |
| F1 | C2 | C7 | 112.9° | 109.5° |
| F1 | C2 | C11 | 106.1° | 109.5° |
| S3 | C2 | C7 | 106.1° | 109.5° |
| S3 | C2 | C11 | 119.7° | 109.4° |
| C2 | S3 | O4 | 105.4° | 110.5° |
| C2 | S3 | O5 | 112.6° | 110.6° |
| C2 | S3 | N6 | 92.5° | 104.4° |
| C7 | C2 | C11 | 104.4° | 109.5° |
| C2 | C7 | C8 | 112.8° | 109.3° |
| C2 | C7 | H44 | 108.6° | 109.5° |
| C2 | C7 | H43 | 108.6° | 109.5° |
| C2 | C11 | C10 | 112.3° | 109.3° |
| C2 | C11 | H49 | 108.8° | 109.5° |
| C2 | C11 | H50 | 108.8° | 109.5° |
| O4 | S3 | O5 | 125.5° | 121.0° |
| O4 | S3 | N6 | 115.3° | 104.3° |
| O5 | S3 | N6 | 100.8° | 104.3° |
| S3 | N6 | H41 | 109.5° | 120.0° |
| S3 | N6 | H42 | 109.5° | 120.0° |
| C7 | C8 | N9 | 110.2° | 108.8° |
| C8 | C7 | H44 | 108.6° | 109.5° |
| C8 | C7 | H43 | 108.7° | 109.5° |
| C7 | C8 | H46 | 109.3° | 109.6° |
| C7 | C8 | H45 | 109.3° | 109.6° |
| C8 | N9 | C10 | 114.2° | 118.7° |
| C8 | N9 | C12 | 115.8° | 120.7° |
| N9 | C8 | H46 | 109.3° | 109.6° |
| N9 | C8 | H45 | 109.3° | 109.6° |
| C10 | N9 | C12 | 129.6° | 120.6° |
| N9 | C10 | C11 | 117.0° | 108.7° |
| N9 | C10 | H48 | 107.6° | 109.6° |
| N9 | C10 | H47 | 107.5° | 109.7° |
| N9 | C12 | N13 | 129.5° | 120.0° |
| N9 | C12 | O40 | 118.5° | 120.0° |
| C11 | C10 | H48 | 107.5° | 109.6° |
| C11 | C10 | H47 | 107.6° | 109.6° |
| C10 | C11 | H49 | 108.8° | 109.5° |
| C10 | C11 | H50 | 108.7° | 109.4° |
| N13 | C12 | O40 | 112.0° | 120.0° |
| C12 | N13 | C14 | 115.8° | 127.2° |
| C12 | N13 | C39 | 122.8° | 127.2° |
| C14 | N13 | C39 | 109.4° | 105.5° |
| N13 | C14 | C15 | 100.3° | 107.2° |
| N13 | C14 | H52 | 111.7° | 109.9° |
| N13 | C14 | H51 | 111.7° | 109.8° |
| N13 | C39 | C16 | 102.9° | 107.3° |
| N13 | C39 | H75 | 111.1° | 109.6° |
| N13 | C39 | H76 | 111.1° | 110.2° |
| C14 | C15 | C16 | 113.3° | 110.0° |
| C14 | C15 | C38 | 133.0° | 140.0° |
| C15 | C14 | H52 | 111.7° | 110.1° |
| C15 | C14 | H51 | 111.7° | 109.7° |
| C16 | C15 | C38 | 113.7° | 110.0° |
| C15 | C16 | C17 | 113.4° | 110.0° |
| C15 | C16 | C39 | 110.9° | 110.0° |
| C15 | C38 | N18 | 100.9° | 107.3° |
| C15 | C38 | H74 | 111.6° | 109.9° |
| C15 | C38 | H73 | 111.6° | 109.9° |
| C17 | C16 | C39 | 135.8° | 140.1° |
| C16 | C17 | N18 | 98.7° | 107.3° |
| C16 | C17 | H53 | 112.1° | 109.9° |
| C16 | C17 | H54 | 112.1° | 109.9° |
| C16 | C39 | H75 | 111.1° | 109.9° |
| C16 | C39 | H76 | 111.1° | 109.9° |
| C17 | N18 | C19 | 121.1° | 127.2° |
| C17 | N18 | C38 | 113.1° | 105.5° |
| N18 | C17 | H53 | 112.1° | 109.9° |
| N18 | C17 | H54 | 112.1° | 109.9° |
| C19 | N18 | C38 | 125.7° | 127.3° |
| N18 | C19 | C20 | 121.0° | 120.0° |
| N18 | C19 | O37 | 120.2° | 120.0° |
| N18 | C38 | H74 | 111.6° | 109.9° |
| N18 | C38 | H73 | 111.6° | 109.9° |
| C20 | C19 | O37 | 118.8° | 120.0° |
| C19 | C20 | C21 | 115.4° | 120.9° |
| C19 | C20 | C36 | 123.8° | 120.9° |
| C21 | C20 | C36 | 120.7° | 118.2° |
| C20 | C21 | C22 | 117.9° | 119.2° |
| C20 | C21 | H55 | 121.0° | 120.4° |
| C20 | C36 | C27 | 116.6° | 118.9° |
| C20 | C36 | H72 | 121.7° | 120.5° |
| C21 | C22 | C23 | 120.9° | 119.5° |
| C21 | C22 | N26 | 123.5° | 121.0° |
| C22 | C21 | H55 | 121.1° | 120.4° |
| C23 | C22 | N26 | 115.5° | 119.5° |
| C22 | C23 | C24 | 118.4° | 117.5° |
| C22 | C23 | C25 | 121.5° | 117.5° |
| C22 | C23 | H56 | 115.9° | 115.5° |
| C22 | N26 | C27 | 116.2° | 122.0° |
| C24 | C23 | C25 | 58.9° | 60.0° |
| C23 | C24 | C25 | 60.0° | 60.0° |
| C24 | C23 | H56 | 114.8° | 117.5° |
| C23 | C24 | H57 | 120.0° | 117.5° |
| C23 | C24 | H58 | 120.0° | 117.5° |
| C23 | C25 | C24 | 61.1° | 60.0° |
| C25 | C23 | H56 | 115.1° | 117.6° |
| C23 | C25 | H60 | 119.8° | 117.5° |
| C23 | C25 | H59 | 119.8° | 117.4° |
| C25 | C24 | H57 | 120.0° | 117.5° |
| C25 | C24 | H58 | 120.0° | 117.5° |
| C24 | C25 | H60 | 119.8° | 117.5° |
| C24 | C25 | H59 | 119.8° | 117.5° |
| N26 | C27 | O28 | 120.4° | 119.6° |
| N26 | C27 | C36 | 125.1° | 120.8° |
| O28 | C27 | C36 | 114.3° | 119.6° |
| C27 | O28 | C29 | 115.7° | 117.0° |
| C27 | C36 | H72 | 121.7° | 120.5° |
| O28 | C29 | C30 | 105.8° | 109.5° |
| O28 | C29 | H62 | 110.4° | 109.4° |
| O28 | C29 | H61 | 110.4° | 109.4° |
| C29 | C30 | C31 | 106.7° | 109.5° |
| C29 | C30 | C35 | 111.0° | 109.6° |
| C30 | C29 | H62 | 110.4° | 109.5° |
| C30 | C29 | H61 | 110.4° | 109.5° |
| C29 | C30 | H63 | 109.7° | 109.5° |
| C31 | C30 | C35 | 109.3° | 109.1° |
| C30 | C31 | C32 | 108.0° | 109.2° |
| C31 | C30 | H63 | 109.9° | 109.5° |
| C30 | C31 | H65 | 109.8° | 109.5° |
| C30 | C31 | H64 | 109.8° | 109.5° |
| C30 | C35 | C34 | 108.2° | 109.2° |
| C35 | C30 | H63 | 110.1° | 109.6° |
| C30 | C35 | H71 | 109.8° | 109.5° |
| C30 | C35 | H70 | 109.8° | 109.5° |
| C31 | C32 | O33 | 109.1° | 109.4° |
| C32 | C31 | H65 | 109.8° | 109.5° |
| C32 | C31 | H64 | 109.8° | 109.5° |
| C31 | C32 | H66 | 109.6° | 109.5° |
| C31 | C32 | H67 | 109.6° | 109.5° |
| C32 | O33 | C34 | 113.2° | 114.1° |
| O33 | C32 | H66 | 109.6° | 109.5° |
| O33 | C32 | H67 | 109.6° | 109.5° |
| O33 | C34 | C35 | 109.5° | 109.4° |
| O33 | C34 | H69 | 109.4° | 109.6° |
| O33 | C34 | H68 | 109.5° | 109.5° |
| C35 | C34 | H69 | 109.5° | 109.5° |
| C35 | C34 | H68 | 109.5° | 109.4° |
| C34 | C35 | H71 | 109.8° | 109.6° |
| C34 | C35 | H70 | 109.8° | 109.5° |
| H48 | C10 | H47 | 109.5° | 109.6° |
| H49 | C11 | H50 | 109.5° | 109.5° |
| H53 | C17 | H54 | 109.5° | 110.0° |
| H57 | C24 | H58 | 109.5° | 115.6° |
| H60 | C25 | H59 | 109.4° | 115.6° |
| H41 | N6 | H42 | 109.4° | 120.0° |
| H44 | C7 | H43 | 109.4° | 109.6° |
| H46 | C8 | H45 | 109.4° | 109.7° |
| H52 | C14 | H51 | 109.5° | 110.0° |
| H62 | C29 | H61 | 109.5° | 109.5° |
| H65 | C31 | H64 | 109.5° | 109.6° |
| H66 | C32 | H67 | 109.5° | 109.5° |
| H69 | C34 | H68 | 109.5° | 109.5° |
| H71 | C35 | H70 | 109.5° | 109.6° |
| H74 | C38 | H73 | 109.5° | 110.0° |
| H75 | C39 | H76 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | S3 | C7 | 121.2° | 120.0° |
| F1 | C2 | S3 | C11 | 121.2° | 120.0° |
| F1 | C2 | C7 | C11 | 114.8° | 120.0° |
| F1 | C2 | S3 | O4 | 174.9° | 51.6° |
| F1 | C2 | S3 | O5 | 45.0° | 171.6° |
| F1 | C2 | S3 | N6 | 57.8° | 59.9° |
| F1 | C2 | C7 | C8 | 50.2° | 58.6° |
| F1 | C2 | C11 | C10 | 68.6° | 58.7° |
| F1 | C2 | C11 | H49 | 51.8° | 178.7° |
| F1 | C2 | C11 | H50 | 171.0° | 61.2° |
| F1 | C2 | C7 | H44 | 170.7° | 178.6° |
| F1 | C2 | C7 | H43 | 70.3° | 61.3° |
| S3 | C2 | C7 | C11 | 127.3° | 120.0° |
| C2 | S3 | O4 | O5 | 133.3° | 131.5° |
| C2 | S3 | O4 | N6 | 100.4° | 111.7° |
| C2 | S3 | O5 | N6 | 97.3° | 111.7° |
| S3 | C2 | C7 | C8 | 168.1° | 178.6° |
| S3 | C2 | C11 | C10 | 169.3° | 178.6° |
| S3 | C2 | C11 | H49 | 70.2° | 61.4° |
| S3 | C2 | C11 | H50 | 48.9° | 58.7° |
| C2 | S3 | N6 | H41 | 180.0° | 0.1° |
| C2 | S3 | N6 | H42 | 60.0° | 180.0° |
| S3 | C2 | C7 | H44 | 71.4° | 61.4° |
| S3 | C2 | C7 | H43 | 47.5° | 58.7° |
| C7 | C2 | S3 | O4 | 53.7° | 68.4° |
| C7 | C2 | S3 | O5 | 166.2° | 68.4° |
| C7 | C2 | S3 | N6 | 63.4° | 180.0° |
| C2 | C7 | C8 | H44 | 120.5° | 119.9° |
| C2 | C7 | C8 | H43 | 120.5° | 119.9° |
| C2 | C7 | C8 | N9 | 64.5° | 54.7° |
| C7 | C2 | C11 | C10 | 50.9° | 61.4° |
| C7 | C2 | C11 | H49 | 171.3° | 58.6° |
| C7 | C2 | C11 | H50 | 69.5° | 178.7° |
| C2 | C7 | H44 | H43 | 118.5° | 120.0° |
| C2 | C7 | C8 | H46 | 175.4° | 174.5° |
| C2 | C7 | C8 | H45 | 55.6° | 65.2° |
| C11 | C2 | S3 | O4 | 63.8° | 171.6° |
| C11 | C2 | S3 | O5 | 76.2° | 51.6° |
| C11 | C2 | S3 | N6 | 179.0° | 60.0° |
| C11 | C2 | C7 | C8 | 64.6° | 61.4° |
| C2 | C11 | C10 | N9 | 43.3° | 54.7° |
| C2 | C11 | C10 | H49 | 120.4° | 120.0° |
| C2 | C11 | C10 | H50 | 120.4° | 120.0° |
| C2 | C11 | C10 | H48 | 164.4° | 65.2° |
| C2 | C11 | C10 | H47 | 77.8° | 174.6° |
| C2 | C11 | H49 | H50 | 118.7° | 120.1° |
| C11 | C2 | C7 | H44 | 55.9° | 58.6° |
| C11 | C2 | C7 | H43 | 174.8° | 178.7° |
| O4 | S3 | O5 | N6 | 132.1° | 116.8° |
| O4 | S3 | N6 | H41 | 71.6° | 116.1° |
| O4 | S3 | N6 | H42 | 168.4° | 63.9° |
| O5 | S3 | N6 | H41 | 66.5° | 116.0° |
| O5 | S3 | N6 | H42 | 53.5° | 63.9° |
| S3 | N6 | H41 | H42 | 120.0° | 180.0° |
| C7 | C8 | N9 | H46 | 120.1° | 119.7° |
| C7 | C8 | N9 | H45 | 120.1° | 119.8° |
| C7 | C8 | N9 | C10 | 49.8° | 53.7° |
| C7 | C8 | N9 | C12 | 136.4° | 126.4° |
| C8 | C7 | H44 | H43 | 118.5° | 120.1° |
| C7 | C8 | H46 | H45 | 119.7° | 120.3° |
| C8 | N9 | C10 | C12 | 172.6° | 179.9° |
| C8 | N9 | C10 | C11 | 40.5° | 53.7° |
| C8 | N9 | C12 | N13 | 150.2° | 171.2° |
| C8 | N9 | C12 | O40 | 30.2° | 8.7° |
| C8 | N9 | C10 | H48 | 161.6° | 66.1° |
| C8 | N9 | C10 | H47 | 80.5° | 173.5° |
| N9 | C8 | C7 | H44 | 56.0° | 65.2° |
| N9 | C8 | C7 | H43 | 175.0° | 174.6° |
| N9 | C8 | H46 | H45 | 119.6° | 120.4° |
| N9 | C10 | C11 | H48 | 121.1° | 119.8° |
| N9 | C10 | C11 | H47 | 121.1° | 119.9° |
| C10 | N9 | C12 | N13 | 37.3° | 8.9° |
| C10 | N9 | C12 | O40 | 142.3° | 171.2° |
| N9 | C10 | H48 | H47 | 116.6° | 120.4° |
| N9 | C10 | C11 | H49 | 163.7° | 65.3° |
| N9 | C10 | C11 | H50 | 77.2° | 174.6° |
| C10 | N9 | C8 | H46 | 170.0° | 173.4° |
| C10 | N9 | C8 | H45 | 70.3° | 66.2° |
| C12 | N9 | C10 | C11 | 146.8° | 126.4° |
| N9 | C12 | N13 | O40 | 179.6° | 179.9° |
| N9 | C12 | N13 | C14 | 21.2° | 175.2° |
| N9 | C12 | N13 | C39 | 160.0° | 5.2° |
| C12 | N9 | C10 | H48 | 25.8° | 113.8° |
| C12 | N9 | C10 | H47 | 92.1° | 6.6° |
| C12 | N9 | C8 | H46 | 16.3° | 6.7° |
| C12 | N9 | C8 | H45 | 103.4° | 113.7° |
| C11 | C10 | H48 | H47 | 116.6° | 120.3° |
| C10 | C11 | H49 | H50 | 118.7° | 120.0° |
| C12 | N13 | C14 | C39 | 144.1° | 179.7° |
| C12 | N13 | C14 | C15 | 161.7° | 180.0° |
| C12 | N13 | C39 | C16 | 158.6° | 179.9° |
| C12 | N13 | C14 | H52 | 79.8° | 60.3° |
| C12 | N13 | C14 | H51 | 43.2° | 60.9° |
| C12 | N13 | C39 | H75 | 39.7° | 60.7° |
| C12 | N13 | C39 | H76 | 82.4° | 60.5° |
| O40 | C12 | N13 | C14 | 159.1° | 4.8° |
| O40 | C12 | N13 | C39 | 20.3° | 174.9° |
| N13 | C14 | C15 | H52 | 118.5° | 119.5° |
| N13 | C14 | C15 | H51 | 118.5° | 119.2° |
| N13 | C14 | C15 | C16 | 11.2° | 0.1° |
| N13 | C14 | C15 | C38 | 166.9° | 179.7° |
| C14 | N13 | C39 | C16 | 17.6° | 0.4° |
| N13 | C14 | H52 | H51 | 124.3° | 121.0° |
| C14 | N13 | C39 | H75 | 101.4° | 119.6° |
| C14 | N13 | C39 | H76 | 136.5° | 119.2° |
| C39 | N13 | C14 | C15 | 17.6° | 0.3° |
| N13 | C39 | C16 | C15 | 10.5° | 0.4° |
| N13 | C39 | C16 | C17 | 168.3° | 179.6° |
| N13 | C39 | C16 | H75 | 118.9° | 119.0° |
| N13 | C39 | C16 | H76 | 119.0° | 119.8° |
| C39 | N13 | C14 | H52 | 136.1° | 119.4° |
| C39 | N13 | C14 | H51 | 100.9° | 119.4° |
| N13 | C39 | H75 | H76 | 123.1° | 121.3° |
| C14 | C15 | C16 | C38 | 178.5° | 179.8° |
| C14 | C15 | C16 | C17 | 179.8° | 179.8° |
| C14 | C15 | C16 | C39 | 0.8° | 0.2° |
| C14 | C15 | C38 | N18 | 176.0° | 179.7° |
| C15 | C14 | H52 | H51 | 124.3° | 121.1° |
| C14 | C15 | C38 | H74 | 57.4° | 60.3° |
| C14 | C15 | C38 | H73 | 65.4° | 60.8° |
| C15 | C16 | C17 | C39 | 178.7° | 180.0° |
| C15 | C16 | C17 | N18 | 3.9° | 0.0° |
| C16 | C15 | C38 | N18 | 2.1° | 0.0° |
| C15 | C16 | C17 | H53 | 114.3° | 119.5° |
| C15 | C16 | C17 | H54 | 122.1° | 119.4° |
| C16 | C15 | C14 | H52 | 129.7° | 119.5° |
| C16 | C15 | C14 | H51 | 107.2° | 119.3° |
| C16 | C15 | C38 | H74 | 120.7° | 119.4° |
| C16 | C15 | C38 | H73 | 116.5° | 119.4° |
| C15 | C16 | C39 | H75 | 108.5° | 119.4° |
| C15 | C16 | C39 | H76 | 129.5° | 119.4° |
| C38 | C15 | C16 | C17 | 1.3° | 0.0° |
| C38 | C15 | C16 | C39 | 177.8° | 180.0° |
| C15 | C38 | N18 | C17 | 4.7° | 0.0° |
| C15 | C38 | N18 | C19 | 179.1° | 180.0° |
| C15 | C38 | N18 | H74 | 118.6° | 119.4° |
| C15 | C38 | N18 | H73 | 118.6° | 119.4° |
| C38 | C15 | C14 | H52 | 48.4° | 60.8° |
| C38 | C15 | C14 | H51 | 74.6° | 60.5° |
| C15 | C38 | H74 | H73 | 124.0° | 121.1° |
| C16 | C17 | N18 | H53 | 118.2° | 119.4° |
| C16 | C17 | N18 | H54 | 118.2° | 119.4° |
| C16 | C17 | N18 | C19 | 178.3° | 180.0° |
| C16 | C17 | N18 | C38 | 5.3° | 0.0° |
| C16 | C17 | H53 | H54 | 125.1° | 121.1° |
| C17 | C16 | C39 | H75 | 72.8° | 60.6° |
| C17 | C16 | C39 | H76 | 49.3° | 60.6° |
| C39 | C16 | C17 | N18 | 174.8° | 180.0° |
| C39 | C16 | C17 | H53 | 67.0° | 60.6° |
| C39 | C16 | C17 | H54 | 56.6° | 60.6° |
| C16 | C39 | H75 | H76 | 123.1° | 121.1° |
| C17 | N18 | C19 | C38 | 175.9° | 180.0° |
| C17 | N18 | C19 | C20 | 179.6° | 175.1° |
| C17 | N18 | C19 | O37 | 0.9° | 4.9° |
| N18 | C17 | H53 | H54 | 125.1° | 121.1° |
| C17 | N18 | C38 | H74 | 123.3° | 119.4° |
| C17 | N18 | C38 | H73 | 113.9° | 119.4° |
| N18 | C19 | C20 | O37 | 179.5° | 180.0° |
| N18 | C19 | C20 | C21 | 59.5° | 173.5° |
| N18 | C19 | C20 | C36 | 124.9° | 6.8° |
| C19 | N18 | C17 | H53 | 63.5° | 60.6° |
| C19 | N18 | C17 | H54 | 60.1° | 60.6° |
| C19 | N18 | C38 | H74 | 60.5° | 60.6° |
| C19 | N18 | C38 | H73 | 62.3° | 60.6° |
| C38 | N18 | C19 | C20 | 4.5° | 4.9° |
| C38 | N18 | C19 | O37 | 175.0° | 175.1° |
| C38 | N18 | C17 | H53 | 112.9° | 119.4° |
| C38 | N18 | C17 | H54 | 123.5° | 119.4° |
| N18 | C38 | H74 | H73 | 124.0° | 121.1° |
| C19 | C20 | C21 | C36 | 175.8° | 179.7° |
| C19 | C20 | C21 | C22 | 174.8° | 180.0° |
| C19 | C20 | C36 | C27 | 174.6° | 179.8° |
| C19 | C20 | C21 | H55 | 5.2° | 0.1° |
| C19 | C20 | C36 | H72 | 5.4° | 0.0° |
| O37 | C19 | C20 | C21 | 121.0° | 6.4° |
| O37 | C19 | C20 | C36 | 54.7° | 173.3° |
| C20 | C21 | C22 | H55 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 178.8° | 180.0° |
| C20 | C21 | C22 | N26 | 0.3° | 0.1° |
| C21 | C20 | C36 | C27 | 0.8° | 0.5° |
| C21 | C20 | C36 | H72 | 179.2° | 179.7° |
| C36 | C20 | C21 | C22 | 1.0° | 0.3° |
| C20 | C36 | C27 | N26 | 0.1° | 0.5° |
| C20 | C36 | C27 | O28 | 175.6° | 180.0° |
| C20 | C36 | C27 | H72 | 180.0° | 179.8° |
| C36 | C20 | C21 | H55 | 179.0° | 179.8° |
| C21 | C22 | C23 | N26 | 179.2° | 179.9° |
| C21 | C22 | C23 | C24 | 150.2° | 85.1° |
| C21 | C22 | C23 | C25 | 140.8° | 16.4° |
| C21 | C22 | N26 | C27 | 0.5° | 0.1° |
| C21 | C22 | C23 | H56 | 7.6° | 129.3° |
| C22 | C23 | C24 | C25 | 111.5° | 107.5° |
| C22 | C23 | C24 | H56 | 143.0° | 144.9° |
| C22 | C23 | C25 | H56 | 148.6° | 145.1° |
| C23 | C22 | N26 | C27 | 179.6° | 180.0° |
| C23 | C22 | C21 | H55 | 1.2° | 0.1° |
| C22 | C23 | C24 | H57 | 139.0° | 145.0° |
| C22 | C23 | C24 | H58 | 2.1° | 0.1° |
| C22 | C23 | C25 | H60 | 3.4° | 0.1° |
| C22 | C23 | C25 | H59 | 143.8° | 145.0° |
| N26 | C22 | C23 | C24 | 30.7° | 95.0° |
| N26 | C22 | C23 | C25 | 38.4° | 163.6° |
| C22 | N26 | C27 | O28 | 174.7° | 179.8° |
| C22 | N26 | C27 | C36 | 0.7° | 0.3° |
| N26 | C22 | C21 | H55 | 179.7° | 180.0° |
| N26 | C22 | C23 | H56 | 173.3° | 50.6° |
| C24 | C23 | C25 | H56 | 105.0° | 107.5° |
| C23 | C24 | C25 | H57 | 109.5° | 107.5° |
| C23 | C24 | C25 | H58 | 109.4° | 107.5° |
| C23 | C24 | H57 | H58 | 144.7° | 145.7° |
| C24 | C23 | C25 | H60 | 109.8° | 107.5° |
| C24 | C23 | C25 | H59 | 109.8° | 107.5° |
| C23 | C25 | H60 | H59 | 144.1° | 145.6° |
| C25 | C24 | H57 | H58 | 144.8° | 145.6° |
| C24 | C25 | H60 | H59 | 144.1° | 145.8° |
| N26 | C27 | O28 | C36 | 175.8° | 179.5° |
| N26 | C27 | O28 | C29 | 6.9° | 0.5° |
| N26 | C27 | C36 | H72 | 180.0° | 179.7° |
| C27 | O28 | C29 | C30 | 178.4° | 180.0° |
| C27 | O28 | C29 | H62 | 59.0° | 60.0° |
| C27 | O28 | C29 | H61 | 62.2° | 60.0° |
| O28 | C27 | C36 | H72 | 4.4° | 0.2° |
| C36 | C27 | O28 | C29 | 177.3° | 180.0° |
| O28 | C29 | C30 | H62 | 119.4° | 120.0° |
| O28 | C29 | C30 | H61 | 119.4° | 120.0° |
| O28 | C29 | C30 | C31 | 170.7° | 175.0° |
| O28 | C29 | C30 | C35 | 70.4° | 65.4° |
| O28 | C29 | H62 | H61 | 121.7° | 119.9° |
| O28 | C29 | C30 | H63 | 51.6° | 54.8° |
| C29 | C30 | C31 | C35 | 120.1° | 119.9° |
| C29 | C30 | C31 | H63 | 118.9° | 120.1° |
| C29 | C30 | C35 | H63 | 121.7° | 120.2° |
| C29 | C30 | C31 | C32 | 178.5° | 176.9° |
| C29 | C30 | C35 | C34 | 174.9° | 176.9° |
| C30 | C29 | H62 | H61 | 121.7° | 120.0° |
| C29 | C30 | C31 | H65 | 61.8° | 63.2° |
| C29 | C30 | C31 | H64 | 58.7° | 57.0° |
| C29 | C30 | C35 | H71 | 55.1° | 56.9° |
| C29 | C30 | C35 | H70 | 65.3° | 63.3° |
| C31 | C30 | C35 | H63 | 120.9° | 119.9° |
| C30 | C31 | C32 | H65 | 119.7° | 119.9° |
| C30 | C31 | C32 | H64 | 119.8° | 119.8° |
| C30 | C31 | C32 | O33 | 59.0° | 57.6° |
| C31 | C30 | C35 | C34 | 57.5° | 57.0° |
| C31 | C30 | C29 | H62 | 51.3° | 55.0° |
| C31 | C30 | C29 | H61 | 69.9° | 65.1° |
| C30 | C31 | H65 | H64 | 120.6° | 120.1° |
| C30 | C31 | C32 | H66 | 60.9° | 62.4° |
| C30 | C31 | C32 | H67 | 179.0° | 177.5° |
| C31 | C30 | C35 | H71 | 62.3° | 63.0° |
| C31 | C30 | C35 | H70 | 177.3° | 176.8° |
| C35 | C30 | C31 | C32 | 58.3° | 57.0° |
| C30 | C35 | C34 | O33 | 58.4° | 57.7° |
| C30 | C35 | C34 | H71 | 119.8° | 119.9° |
| C30 | C35 | C34 | H70 | 119.8° | 119.9° |
| C35 | C30 | C29 | H62 | 170.2° | 174.6° |
| C35 | C30 | C29 | H61 | 49.1° | 54.5° |
| C35 | C30 | C31 | H65 | 178.1° | 176.9° |
| C35 | C30 | C31 | H64 | 61.4° | 62.9° |
| C30 | C35 | C34 | H69 | 61.6° | 62.4° |
| C30 | C35 | C34 | H68 | 178.4° | 177.6° |
| C30 | C35 | H71 | H70 | 120.6° | 120.1° |
| C31 | C32 | O33 | H66 | 120.0° | 120.0° |
| C31 | C32 | O33 | H67 | 119.9° | 120.0° |
| C31 | C32 | O33 | C34 | 63.2° | 61.2° |
| C32 | C31 | C30 | H63 | 62.6° | 63.0° |
| C32 | C31 | H65 | H64 | 120.7° | 120.2° |
| C31 | C32 | H66 | H67 | 120.2° | 120.1° |
| C32 | O33 | C34 | C35 | 62.4° | 61.2° |
| O33 | C32 | C31 | H65 | 178.8° | 177.5° |
| O33 | C32 | C31 | H64 | 60.7° | 62.2° |
| O33 | C32 | H66 | H67 | 120.2° | 120.0° |
| C32 | O33 | C34 | H69 | 57.6° | 58.8° |
| C32 | O33 | C34 | H68 | 177.6° | 178.9° |
| O33 | C34 | C35 | H69 | 120.0° | 120.1° |
| O33 | C34 | C35 | H68 | 120.0° | 119.9° |
| C34 | O33 | C32 | H66 | 56.8° | 58.7° |
| C34 | O33 | C32 | H67 | 176.9° | 178.8° |
| O33 | C34 | H69 | H68 | 120.0° | 120.0° |
| O33 | C34 | C35 | H71 | 61.4° | 62.2° |
| O33 | C34 | C35 | H70 | 178.2° | 177.5° |
| C34 | C35 | C30 | H63 | 63.4° | 62.9° |
| C35 | C34 | H69 | H68 | 120.0° | 120.0° |
| C34 | C35 | H71 | H70 | 120.6° | 120.2° |
| H48 | C10 | C11 | H49 | 75.2° | 174.8° |
| H48 | C10 | C11 | H50 | 43.9° | 54.8° |
| H47 | C10 | C11 | H49 | 42.6° | 54.6° |
| H47 | C10 | C11 | H50 | 161.8° | 65.5° |
| H56 | C23 | C24 | H57 | 4.0° | 0.1° |
| H56 | C23 | C24 | H58 | 145.0° | 145.0° |
| H56 | C23 | C25 | H60 | 145.2° | 145.0° |
| H56 | C23 | C25 | H59 | 4.8° | 0.0° |
| H57 | C24 | C25 | H60 | 140.7° | 145.1° |
| H57 | C24 | C25 | H59 | 0.3° | 0.1° |
| H58 | C24 | C25 | H60 | 0.3° | 0.1° |
| H58 | C24 | C25 | H59 | 140.8° | 145.1° |
| H44 | C7 | C8 | H46 | 64.1° | 54.5° |
| H44 | C7 | C8 | H45 | 176.1° | 174.9° |
| H43 | C7 | C8 | H46 | 54.9° | 65.6° |
| H43 | C7 | C8 | H45 | 64.9° | 54.7° |
| H62 | C29 | C30 | H63 | 67.8° | 65.2° |
| H61 | C29 | C30 | H63 | 171.0° | 174.8° |
| H63 | C30 | C31 | H65 | 57.1° | 56.9° |
| H63 | C30 | C31 | H64 | 177.6° | 177.2° |
| H63 | C30 | C35 | H71 | 176.8° | 177.1° |
| H63 | C30 | C35 | H70 | 56.4° | 57.0° |
| H65 | C31 | C32 | H66 | 58.8° | 57.6° |
| H65 | C31 | C32 | H67 | 61.3° | 62.5° |
| H64 | C31 | C32 | H66 | 179.3° | 177.8° |
| H64 | C31 | C32 | H67 | 59.2° | 57.7° |
| H69 | C34 | C35 | H71 | 178.7° | 177.7° |
| H69 | C34 | C35 | H70 | 58.3° | 57.4° |
| H68 | C34 | C35 | H71 | 58.6° | 57.7° |
| H68 | C34 | C35 | H70 | 61.7° | 62.6° |
