4T0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| O28 | S27 | doub | 1.42Å | 1.44Å | |
| C30 | S27 | sing | 1.81Å | 1.82Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| S27 | C26 | sing | 1.76Å | 1.78Å | |
| S27 | O29 | doub | 1.42Å | 1.44Å | |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | N33 | sing | 1.40Å | 1.42Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C2 | sing | 1.51Å | 1.52Å | |
| N33 | C34 | sing | 1.35Å | 1.37Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| O19 | C18 | doub | 1.21Å | 1.21Å | |
| C34 | C42 | sing | 1.51Å | 1.50Å | |
| C34 | O35 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.55Å | 1.51Å | |
| C18 | N1 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | sing | 1.51Å | 1.54Å | |
| N1 | C5 | sing | 1.47Å | 1.48Å | |
| C41 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.55Å | 1.50Å | |
| N16 | C17 | sing | 1.46Å | 1.45Å | |
| N16 | C13 | sing | 1.39Å | 1.39Å | |
| C17 | C36 | sing | 1.51Å | 1.52Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.36Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.42Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.45Å | Aromatic |
| C11 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| N20 | C9 | sing | 1.38Å | 1.35Å | |
| C9 | N6 | doub | 1.32Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
| N6 | C7 | sing | 1.33Å | 1.34Å | Aromatic |
| C17 | H56 | sing | 1.09Å | 1.10Å | |
| C15 | H54 | sing | 1.08Å | 1.08Å | |
| C22 | H59 | sing | 1.08Å | 1.08Å | |
| C24 | H60 | sing | 1.08Å | 1.08Å | |
| C12 | H52 | sing | 1.08Å | 1.08Å | |
| C2 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H45 | sing | 1.09Å | 1.10Å | |
| C4 | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H46 | sing | 1.09Å | 1.10Å | |
| C5 | H49 | sing | 1.09Å | 1.10Å | |
| C5 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H50 | sing | 1.08Å | 1.08Å | |
| C8 | H51 | sing | 1.08Å | 1.08Å | |
| C14 | H53 | sing | 1.08Å | 1.08Å | |
| N16 | H55 | sing | 0.97Å | 1.00Å | |
| N20 | H57 | sing | 0.97Å | 1.00Å | |
| N20 | H58 | sing | 0.97Å | 1.00Å | |
| C25 | H61 | sing | 1.08Å | 1.08Å | |
| C30 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H64 | sing | 1.09Å | 1.10Å | |
| C31 | H65 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H67 | sing | 1.09Å | 1.10Å | |
| C32 | H68 | sing | 1.09Å | 1.10Å | |
| C32 | H66 | sing | 1.09Å | 1.10Å | |
| N33 | H69 | sing | 0.97Å | 1.00Å | |
| C37 | H70 | sing | 1.08Å | 1.08Å | |
| C38 | H71 | sing | 1.08Å | 1.08Å | |
| C39 | H72 | sing | 1.08Å | 1.08Å | |
| C40 | H73 | sing | 1.08Å | 1.08Å | |
| C41 | H74 | sing | 1.08Å | 1.08Å | |
| C42 | H77 | sing | 1.09Å | 1.10Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C30 | S27 | 109.5° | 109.5° |
| C32 | C30 | C31 | 112.5° | 109.5° |
| C32 | C30 | H62 | 108.0° | 109.5° |
| C30 | C32 | H67 | 109.5° | 109.5° |
| C30 | C32 | H68 | 109.5° | 109.5° |
| C30 | C32 | H66 | 109.5° | 109.5° |
| O28 | S27 | C30 | 107.7° | 110.5° |
| O28 | S27 | C26 | 107.1° | 104.3° |
| O28 | S27 | O29 | 118.6° | 121.1° |
| S27 | C30 | C31 | 113.7° | 109.4° |
| C30 | S27 | C26 | 105.4° | 104.4° |
| C30 | S27 | O29 | 107.9° | 110.5° |
| S27 | C30 | H62 | 104.9° | 109.5° |
| C31 | C30 | H62 | 107.9° | 109.5° |
| C30 | C31 | H64 | 109.5° | 109.5° |
| C30 | C31 | H65 | 109.5° | 109.5° |
| C30 | C31 | H63 | 109.4° | 109.5° |
| C24 | C25 | C26 | 120.3° | 120.1° |
| C25 | C24 | C23 | 120.1° | 119.9° |
| C25 | C24 | H60 | 120.0° | 120.0° |
| C24 | C25 | H61 | 119.9° | 119.9° |
| C25 | C26 | S27 | 114.2° | 119.9° |
| C25 | C26 | C21 | 121.3° | 120.1° |
| C26 | C25 | H61 | 119.8° | 120.0° |
| C26 | S27 | O29 | 109.4° | 104.3° |
| S27 | C26 | C21 | 124.5° | 119.9° |
| C24 | C23 | N33 | 118.0° | 120.1° |
| C24 | C23 | C22 | 118.8° | 119.9° |
| C23 | C24 | H60 | 119.9° | 120.1° |
| C26 | C21 | C22 | 116.8° | 120.1° |
| C26 | C21 | C2 | 124.9° | 119.9° |
| N33 | C23 | C22 | 122.8° | 120.1° |
| C23 | N33 | C34 | 129.5° | 120.0° |
| C23 | N33 | H69 | 115.3° | 120.0° |
| C23 | C22 | C21 | 122.7° | 119.9° |
| C23 | C22 | H59 | 118.7° | 120.0° |
| C22 | C21 | C2 | 118.3° | 120.0° |
| C21 | C22 | H59 | 118.7° | 120.1° |
| C21 | C2 | C3 | 113.3° | 109.9° |
| C21 | C2 | N1 | 112.3° | 109.9° |
| C21 | C2 | H43 | 109.6° | 109.9° |
| N33 | C34 | C42 | 114.9° | 120.0° |
| N33 | C34 | O35 | 123.3° | 120.1° |
| C34 | N33 | H69 | 115.3° | 120.0° |
| C3 | C2 | N1 | 101.9° | 107.2° |
| C2 | C3 | C4 | 103.3° | 103.0° |
| C3 | C2 | H43 | 109.4° | 110.0° |
| C2 | C3 | H44 | 111.0° | 110.7° |
| C2 | C3 | H45 | 111.0° | 110.7° |
| C2 | N1 | C18 | 120.0° | 125.6° |
| C2 | N1 | C5 | 111.9° | 108.7° |
| N1 | C2 | H43 | 110.2° | 109.9° |
| O19 | C18 | N1 | 121.5° | 120.0° |
| O19 | C18 | C17 | 119.7° | 120.0° |
| C42 | C34 | O35 | 121.7° | 119.9° |
| C34 | C42 | H77 | 109.5° | 109.4° |
| C34 | C42 | H76 | 109.5° | 109.4° |
| C34 | C42 | H75 | 109.5° | 109.4° |
| C3 | C4 | C5 | 103.7° | 101.5° |
| C4 | C3 | H44 | 111.0° | 110.8° |
| C4 | C3 | H45 | 111.0° | 110.7° |
| C3 | C4 | H47 | 110.9° | 111.0° |
| C3 | C4 | H46 | 110.9° | 111.0° |
| N1 | C18 | C17 | 118.7° | 120.0° |
| C18 | N1 | C5 | 128.1° | 125.6° |
| C18 | C17 | N16 | 109.8° | 109.5° |
| C18 | C17 | C36 | 108.5° | 109.4° |
| C18 | C17 | H56 | 108.7° | 109.5° |
| N1 | C5 | C4 | 103.2° | 104.7° |
| N1 | C5 | H49 | 111.0° | 110.4° |
| N1 | C5 | H48 | 111.0° | 110.4° |
| C40 | C41 | C36 | 120.7° | 120.0° |
| C41 | C40 | C39 | 120.1° | 120.0° |
| C41 | C40 | H73 | 119.9° | 120.1° |
| C40 | C41 | H74 | 119.7° | 120.0° |
| C41 | C36 | C17 | 120.7° | 120.0° |
| C41 | C36 | C37 | 118.6° | 120.0° |
| C36 | C41 | H74 | 119.7° | 120.0° |
| C40 | C39 | C38 | 119.8° | 120.0° |
| C40 | C39 | H72 | 120.1° | 120.0° |
| C39 | C40 | H73 | 120.0° | 119.9° |
| C5 | C4 | H47 | 110.9° | 111.1° |
| C5 | C4 | H46 | 110.9° | 110.9° |
| C4 | C5 | H49 | 111.0° | 110.4° |
| C4 | C5 | H48 | 111.0° | 110.3° |
| C17 | N16 | C13 | 125.9° | 120.0° |
| N16 | C17 | C36 | 111.0° | 109.5° |
| N16 | C17 | H56 | 109.9° | 109.5° |
| C17 | N16 | H55 | 105.2° | 120.0° |
| N16 | C13 | C14 | 118.6° | 119.7° |
| N16 | C13 | C12 | 121.6° | 119.7° |
| C13 | N16 | H55 | 105.2° | 120.0° |
| C17 | C36 | C37 | 120.7° | 120.0° |
| C36 | C17 | H56 | 108.9° | 109.5° |
| C36 | C37 | C38 | 120.7° | 120.0° |
| C36 | C37 | H70 | 119.6° | 120.0° |
| C39 | C38 | C37 | 120.1° | 120.0° |
| C39 | C38 | H71 | 119.9° | 120.0° |
| C38 | C39 | H72 | 120.1° | 120.0° |
| C13 | C14 | C15 | 121.0° | 120.9° |
| C14 | C13 | C12 | 119.7° | 120.7° |
| C13 | C14 | H53 | 119.5° | 119.6° |
| C14 | C15 | C10 | 121.4° | 119.8° |
| C14 | C15 | H54 | 119.3° | 120.1° |
| C15 | C14 | H53 | 119.5° | 119.5° |
| C13 | C12 | C11 | 120.9° | 119.3° |
| C13 | C12 | H52 | 119.6° | 120.3° |
| C38 | C37 | H70 | 119.7° | 120.0° |
| C37 | C38 | H71 | 119.9° | 120.0° |
| C15 | C10 | C11 | 117.7° | 119.7° |
| C15 | C10 | C9 | 125.6° | 121.9° |
| C10 | C15 | H54 | 119.3° | 120.2° |
| C12 | C11 | C10 | 119.2° | 119.6° |
| C12 | C11 | C8 | 121.6° | 122.1° |
| C11 | C12 | H52 | 119.5° | 120.4° |
| C11 | C10 | C9 | 116.5° | 118.5° |
| C10 | C11 | C8 | 119.1° | 118.3° |
| C10 | C9 | N20 | 121.8° | 120.1° |
| C10 | C9 | N6 | 122.0° | 119.7° |
| C11 | C8 | C7 | 119.9° | 118.8° |
| C11 | C8 | H51 | 120.0° | 120.6° |
| N20 | C9 | N6 | 116.2° | 120.2° |
| C9 | N20 | H57 | 109.5° | 120.0° |
| C9 | N20 | H58 | 109.4° | 120.0° |
| C9 | N6 | C7 | 118.5° | 122.7° |
| C8 | C7 | N6 | 124.0° | 122.0° |
| C8 | C7 | H50 | 118.0° | 119.0° |
| C7 | C8 | H51 | 120.1° | 120.6° |
| N6 | C7 | H50 | 118.0° | 119.0° |
| H44 | C3 | H45 | 109.5° | 110.8° |
| H47 | C4 | H46 | 109.4° | 111.0° |
| H49 | C5 | H48 | 109.5° | 110.4° |
| H57 | N20 | H58 | 109.5° | 120.0° |
| H64 | C31 | H65 | 109.4° | 109.5° |
| H64 | C31 | H63 | 109.5° | 109.5° |
| H65 | C31 | H63 | 109.5° | 109.4° |
| H67 | C32 | H68 | 109.5° | 109.5° |
| H67 | C32 | H66 | 109.5° | 109.4° |
| H68 | C32 | H66 | 109.5° | 109.5° |
| H77 | C42 | H76 | 109.4° | 109.5° |
| H77 | C42 | H75 | 109.5° | 109.5° |
| H76 | C42 | H75 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C30 | S27 | O28 | 51.6° | 168.7° |
| C32 | C30 | S27 | C31 | 126.7° | 120.0° |
| C32 | C30 | S27 | H62 | 115.7° | 120.0° |
| C32 | C30 | C31 | H62 | 119.0° | 120.0° |
| C32 | C30 | S27 | C26 | 165.7° | 57.0° |
| C32 | C30 | S27 | O29 | 77.5° | 54.5° |
| C32 | C30 | C31 | H64 | 180.0° | 60.0° |
| C32 | C30 | C31 | H65 | 60.0° | 60.0° |
| C32 | C30 | C31 | H63 | 60.0° | 180.0° |
| C30 | C32 | H67 | H68 | 120.0° | 120.0° |
| C30 | C32 | H67 | H66 | 120.0° | 120.0° |
| C30 | C32 | H68 | H66 | 120.0° | 120.1° |
| O28 | S27 | C30 | C26 | 114.1° | 111.7° |
| O28 | S27 | C30 | O29 | 129.1° | 136.8° |
| O28 | S27 | C30 | C31 | 178.3° | 71.3° |
| O28 | S27 | C26 | C25 | 33.3° | 39.9° |
| O28 | S27 | C26 | O29 | 129.7° | 127.9° |
| O28 | S27 | C26 | C21 | 146.2° | 139.5° |
| O28 | S27 | C30 | H62 | 64.0° | 48.7° |
| S27 | C30 | C31 | H62 | 115.9° | 120.0° |
| C30 | S27 | C26 | C25 | 81.3° | 76.2° |
| C30 | S27 | C26 | O29 | 115.7° | 116.0° |
| C30 | S27 | C26 | C21 | 99.2° | 104.4° |
| S27 | C30 | C31 | H64 | 54.9° | 60.0° |
| S27 | C30 | C31 | H65 | 174.9° | 180.0° |
| S27 | C30 | C31 | H63 | 65.1° | 60.0° |
| S27 | C30 | C32 | H67 | 180.0° | 60.0° |
| S27 | C30 | C32 | H68 | 60.0° | 180.0° |
| S27 | C30 | C32 | H66 | 60.0° | 60.0° |
| C31 | C30 | S27 | C26 | 67.6° | 177.0° |
| C31 | C30 | S27 | O29 | 49.2° | 65.4° |
| C30 | C31 | H64 | H65 | 120.0° | 120.0° |
| C30 | C31 | H64 | H63 | 120.0° | 120.0° |
| C30 | C31 | H65 | H63 | 120.0° | 120.0° |
| C31 | C30 | C32 | H67 | 52.7° | 180.0° |
| C31 | C30 | C32 | H68 | 172.6° | 60.0° |
| C31 | C30 | C32 | H66 | 67.4° | 60.0° |
| C24 | C25 | C26 | H61 | 180.0° | 179.7° |
| C24 | C25 | C26 | S27 | 179.2° | 180.0° |
| C25 | C24 | C23 | H60 | 180.0° | 180.0° |
| C24 | C25 | C26 | C21 | 0.3° | 0.6° |
| C25 | C24 | C23 | N33 | 169.8° | 180.0° |
| C25 | C24 | C23 | C22 | 2.7° | 0.0° |
| C25 | C26 | S27 | C21 | 179.5° | 179.4° |
| C25 | C26 | S27 | O29 | 163.0° | 167.8° |
| C26 | C25 | C24 | C23 | 2.0° | 0.3° |
| C25 | C26 | C21 | C22 | 1.8° | 0.5° |
| C25 | C26 | C21 | C2 | 175.1° | 179.7° |
| C26 | C25 | C24 | H60 | 178.0° | 179.7° |
| S27 | C26 | C21 | C22 | 177.6° | 180.0° |
| S27 | C26 | C21 | C2 | 5.4° | 0.3° |
| S27 | C26 | C25 | H61 | 0.8° | 0.3° |
| C26 | S27 | C30 | H62 | 50.1° | 63.0° |
| O29 | S27 | C26 | C21 | 16.5° | 11.6° |
| O29 | S27 | C30 | H62 | 166.8° | 174.6° |
| C24 | C23 | N33 | C22 | 172.3° | 179.9° |
| C24 | C23 | C22 | C21 | 1.2° | 0.0° |
| C24 | C23 | N33 | C34 | 163.0° | 34.3° |
| C24 | C23 | C22 | H59 | 178.8° | 179.9° |
| C23 | C24 | C25 | H61 | 178.0° | 180.0° |
| C24 | C23 | N33 | H69 | 17.0° | 145.7° |
| C26 | C21 | C22 | C23 | 1.1° | 0.3° |
| C26 | C21 | C22 | C2 | 177.2° | 179.7° |
| C26 | C21 | C2 | C3 | 93.0° | 85.2° |
| C26 | C21 | C2 | N1 | 152.3° | 157.1° |
| C26 | C21 | C22 | H59 | 179.0° | 179.7° |
| C26 | C21 | C2 | H43 | 29.5° | 36.0° |
| C21 | C26 | C25 | H61 | 179.7° | 179.7° |
| N33 | C23 | C22 | C21 | 171.0° | 180.0° |
| C23 | N33 | C34 | H69 | 180.0° | 180.0° |
| C23 | N33 | C34 | C42 | 161.5° | 174.8° |
| C23 | N33 | C34 | O35 | 21.2° | 5.2° |
| N33 | C23 | C22 | H59 | 9.0° | 0.0° |
| N33 | C23 | C24 | H60 | 10.1° | 0.0° |
| C23 | C22 | C21 | H59 | 180.0° | 180.0° |
| C23 | C22 | C21 | C2 | 176.1° | 180.0° |
| C22 | C23 | N33 | C34 | 9.3° | 145.6° |
| C22 | C23 | C24 | H60 | 177.3° | 180.0° |
| C22 | C23 | N33 | H69 | 170.7° | 34.3° |
| C22 | C21 | C2 | C3 | 90.1° | 95.1° |
| C22 | C21 | C2 | N1 | 24.6° | 22.7° |
| C22 | C21 | C2 | H43 | 147.4° | 143.7° |
| C21 | C2 | C3 | N1 | 120.8° | 119.4° |
| C21 | C2 | C3 | H43 | 122.6° | 121.1° |
| C21 | C2 | N1 | H43 | 122.5° | 121.0° |
| C21 | C2 | C3 | C4 | 88.5° | 141.6° |
| C21 | C2 | N1 | C18 | 71.9° | 61.6° |
| C21 | C2 | N1 | C5 | 108.8° | 118.1° |
| C2 | C21 | C22 | H59 | 3.9° | 0.0° |
| C21 | C2 | C3 | H44 | 152.5° | 100.0° |
| C21 | C2 | C3 | H45 | 30.6° | 23.2° |
| N33 | C34 | C42 | O35 | 177.4° | 180.0° |
| N33 | C34 | C42 | H77 | 177.4° | 180.0° |
| N33 | C34 | C42 | H76 | 57.4° | 60.0° |
| N33 | C34 | C42 | H75 | 62.6° | 60.0° |
| C3 | C2 | N1 | H43 | 116.0° | 119.5° |
| C2 | C3 | C4 | H44 | 119.0° | 118.4° |
| C2 | C3 | C4 | H45 | 119.0° | 118.3° |
| C3 | C2 | N1 | C18 | 166.5° | 179.0° |
| C3 | C2 | N1 | C5 | 12.7° | 1.3° |
| C2 | C3 | C4 | C5 | 40.8° | 35.6° |
| C2 | C3 | H44 | H45 | 122.8° | 123.1° |
| C2 | C3 | C4 | H47 | 159.9° | 82.5° |
| C2 | C3 | C4 | H46 | 78.3° | 153.6° |
| C2 | N1 | C18 | O19 | 8.5° | 0.3° |
| N1 | C2 | C3 | C4 | 32.4° | 22.2° |
| C2 | N1 | C18 | C5 | 179.1° | 179.7° |
| C2 | N1 | C18 | C17 | 175.7° | 179.7° |
| C2 | N1 | C5 | C4 | 12.0° | 24.4° |
| N1 | C2 | C3 | H44 | 86.7° | 140.6° |
| N1 | C2 | C3 | H45 | 151.4° | 96.2° |
| C2 | N1 | C5 | H49 | 131.0° | 94.4° |
| C2 | N1 | C5 | H48 | 106.9° | 143.2° |
| O19 | C18 | N1 | C17 | 175.8° | 180.0° |
| O19 | C18 | N1 | C5 | 170.6° | 180.0° |
| O19 | C18 | C17 | N16 | 16.4° | 0.0° |
| O19 | C18 | C17 | C36 | 105.1° | 120.0° |
| O19 | C18 | C17 | H56 | 136.6° | 120.0° |
| C42 | C34 | N33 | H69 | 18.5° | 5.3° |
| C34 | C42 | H77 | H76 | 120.0° | 120.0° |
| C34 | C42 | H77 | H75 | 120.0° | 119.9° |
| C34 | C42 | H76 | H75 | 120.0° | 120.0° |
| O35 | C34 | N33 | H69 | 158.8° | 174.8° |
| O35 | C34 | C42 | H77 | 0.0° | 0.0° |
| O35 | C34 | C42 | H76 | 120.0° | 120.0° |
| O35 | C34 | C42 | H75 | 120.0° | 120.0° |
| C3 | C4 | C5 | N1 | 32.3° | 37.3° |
| C3 | C4 | C5 | H47 | 119.1° | 118.1° |
| C3 | C4 | C5 | H46 | 119.1° | 118.0° |
| C4 | C3 | C2 | H43 | 148.9° | 97.3° |
| C4 | C3 | H44 | H45 | 122.9° | 123.3° |
| C3 | C4 | H47 | H46 | 122.7° | 123.9° |
| C3 | C4 | C5 | H49 | 151.3° | 81.6° |
| C3 | C4 | C5 | H48 | 86.7° | 156.1° |
| C18 | N1 | C5 | C4 | 168.8° | 155.8° |
| N1 | C18 | C17 | N16 | 159.5° | 180.0° |
| N1 | C18 | C17 | C36 | 79.0° | 60.0° |
| N1 | C18 | C17 | H56 | 39.3° | 60.0° |
| C18 | N1 | C2 | H43 | 50.5° | 59.4° |
| C18 | N1 | C5 | H49 | 49.8° | 85.3° |
| C18 | N1 | C5 | H48 | 72.2° | 37.1° |
| C17 | C18 | N1 | C5 | 5.2° | 0.0° |
| C18 | C17 | C36 | C41 | 51.0° | 79.8° |
| C18 | C17 | N16 | C36 | 119.9° | 120.0° |
| C18 | C17 | N16 | H56 | 119.5° | 120.0° |
| C18 | C17 | N16 | C13 | 162.4° | 155.0° |
| C18 | C17 | C36 | H56 | 118.2° | 120.0° |
| C18 | C17 | C36 | C37 | 130.6° | 100.0° |
| C18 | C17 | N16 | H55 | 75.4° | 25.0° |
| N1 | C5 | C4 | H49 | 119.0° | 118.8° |
| N1 | C5 | C4 | H48 | 119.0° | 118.8° |
| C5 | N1 | C2 | H43 | 128.7° | 120.8° |
| N1 | C5 | C4 | H47 | 151.4° | 80.8° |
| N1 | C5 | C4 | H46 | 86.8° | 155.3° |
| N1 | C5 | H49 | H48 | 122.9° | 122.4° |
| C40 | C41 | C36 | H74 | 180.0° | 179.4° |
| C41 | C40 | C39 | H73 | 180.0° | 179.7° |
| C40 | C41 | C36 | C17 | 178.8° | 179.7° |
| C40 | C41 | C36 | C37 | 0.3° | 0.5° |
| C41 | C40 | C39 | C38 | 0.2° | 0.2° |
| C41 | C40 | C39 | H72 | 179.8° | 179.7° |
| C36 | C41 | C40 | C39 | 0.2° | 0.5° |
| C41 | C36 | C17 | N16 | 69.7° | 40.2° |
| C41 | C36 | C17 | C37 | 178.4° | 179.8° |
| C41 | C36 | C37 | C38 | 0.0° | 0.2° |
| C41 | C36 | C17 | H56 | 169.2° | 160.2° |
| C41 | C36 | C37 | H70 | 180.0° | 179.8° |
| C36 | C41 | C40 | H73 | 179.8° | 179.7° |
| C40 | C39 | C38 | H72 | 180.0° | 179.9° |
| C40 | C39 | C38 | C37 | 0.5° | 0.0° |
| C40 | C39 | C38 | H71 | 179.5° | 180.0° |
| C39 | C40 | C41 | H74 | 179.8° | 180.0° |
| C5 | C4 | C3 | H44 | 78.2° | 154.0° |
| C5 | C4 | C3 | H45 | 159.8° | 82.7° |
| C5 | C4 | H47 | H46 | 122.7° | 123.9° |
| C4 | C5 | H49 | H48 | 122.9° | 122.3° |
| C17 | N16 | C13 | H55 | 122.2° | 180.0° |
| N16 | C17 | C36 | H56 | 121.1° | 120.0° |
| N16 | C17 | C36 | C37 | 108.8° | 140.0° |
| C17 | N16 | C13 | C14 | 166.4° | 0.2° |
| C17 | N16 | C13 | C12 | 11.0° | 180.0° |
| C13 | N16 | C17 | C36 | 77.6° | 85.0° |
| N16 | C13 | C14 | C12 | 177.5° | 179.8° |
| N16 | C13 | C14 | C15 | 178.6° | 179.7° |
| N16 | C13 | C12 | C11 | 179.3° | 179.7° |
| C13 | N16 | C17 | H56 | 42.9° | 35.0° |
| N16 | C13 | C12 | H52 | 0.7° | 0.3° |
| N16 | C13 | C14 | H53 | 1.4° | 0.3° |
| C17 | C36 | C37 | C38 | 178.5° | 180.0° |
| C36 | C17 | N16 | H55 | 44.5° | 95.0° |
| C17 | C36 | C37 | H70 | 1.5° | 0.0° |
| C17 | C36 | C41 | H74 | 1.2° | 0.3° |
| C36 | C37 | C38 | C39 | 0.4° | 0.1° |
| C36 | C37 | C38 | H70 | 180.0° | 180.0° |
| C37 | C36 | C17 | H56 | 12.3° | 20.0° |
| C36 | C37 | C38 | H71 | 179.6° | 180.0° |
| C37 | C36 | C41 | H74 | 179.7° | 180.0° |
| C39 | C38 | C37 | H71 | 180.0° | 179.9° |
| C39 | C38 | C37 | H70 | 179.7° | 179.9° |
| C38 | C39 | C40 | H73 | 179.8° | 180.0° |
| C13 | C14 | C15 | H53 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 1.4° | 0.1° |
| C14 | C13 | C12 | C11 | 3.3° | 0.1° |
| C13 | C14 | C15 | H54 | 178.5° | 180.0° |
| C14 | C13 | C12 | H52 | 176.7° | 180.0° |
| C14 | C13 | N16 | H55 | 44.2° | 179.7° |
| C15 | C14 | C13 | C12 | 1.2° | 0.1° |
| C14 | C15 | C10 | H54 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 1.8° | 0.0° |
| C14 | C15 | C10 | C9 | 172.6° | 179.9° |
| C13 | C12 | C11 | H52 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 2.9° | 0.0° |
| C13 | C12 | C11 | C8 | 172.5° | 180.0° |
| C12 | C13 | C14 | H53 | 178.8° | 180.0° |
| C12 | C13 | N16 | H55 | 133.2° | 0.0° |
| C37 | C38 | C39 | H72 | 179.5° | 180.0° |
| C15 | C10 | C11 | C12 | 0.3° | 0.0° |
| C15 | C10 | C11 | C9 | 175.0° | 180.0° |
| C15 | C10 | C11 | C8 | 175.2° | 180.0° |
| C15 | C10 | C9 | N20 | 4.6° | 0.0° |
| C15 | C10 | C9 | N6 | 173.4° | 180.0° |
| C10 | C15 | C14 | H53 | 178.5° | 180.0° |
| C12 | C11 | C10 | C8 | 175.5° | 180.0° |
| C12 | C11 | C10 | C9 | 175.3° | 180.0° |
| C12 | C11 | C8 | C7 | 173.7° | 180.0° |
| C12 | C11 | C8 | H51 | 6.3° | 0.0° |
| C11 | C10 | C9 | N20 | 179.2° | 179.9° |
| C11 | C10 | C9 | N6 | 1.2° | 0.0° |
| C10 | C11 | C8 | C7 | 1.7° | 0.0° |
| C11 | C10 | C15 | H54 | 178.2° | 180.0° |
| C10 | C11 | C12 | H52 | 177.2° | 180.0° |
| C10 | C11 | C8 | H51 | 178.3° | 180.0° |
| C9 | C10 | C11 | C8 | 0.2° | 0.0° |
| C10 | C9 | N20 | N6 | 178.1° | 179.9° |
| C10 | C9 | N6 | C7 | 1.0° | 0.0° |
| C9 | C10 | C15 | H54 | 7.4° | 0.0° |
| C10 | C9 | N20 | H57 | 178.1° | 180.0° |
| C10 | C9 | N20 | H58 | 61.9° | 0.1° |
| C11 | C8 | C7 | H51 | 180.0° | 180.0° |
| C11 | C8 | C7 | N6 | 2.0° | 0.0° |
| C8 | C11 | C12 | H52 | 7.5° | 0.0° |
| C11 | C8 | C7 | H50 | 178.0° | 180.0° |
| N20 | C9 | N6 | C7 | 179.1° | 180.0° |
| C9 | N20 | H57 | H58 | 120.0° | 179.9° |
| C9 | N6 | C7 | C8 | 0.6° | 0.0° |
| C9 | N6 | C7 | H50 | 179.4° | 180.0° |
| N6 | C9 | N20 | H57 | 0.0° | 0.1° |
| N6 | C9 | N20 | H58 | 120.0° | 180.0° |
| C8 | C7 | N6 | H50 | 180.0° | 180.0° |
| N6 | C7 | C8 | H51 | 178.0° | 180.0° |
| H56 | C17 | N16 | H55 | 165.1° | 145.0° |
| H54 | C15 | C14 | H53 | 1.5° | 0.0° |
| H60 | C24 | C25 | H61 | 2.0° | 0.0° |
| H43 | C2 | C3 | H44 | 29.9° | 21.2° |
| H43 | C2 | C3 | H45 | 92.0° | 144.3° |
| H44 | C3 | C4 | H47 | 40.9° | 35.9° |
| H44 | C3 | C4 | H46 | 162.7° | 88.0° |
| H45 | C3 | C4 | H47 | 81.1° | 159.1° |
| H45 | C3 | C4 | H46 | 40.7° | 35.3° |
| H47 | C4 | C5 | H49 | 89.6° | 160.4° |
| H47 | C4 | C5 | H48 | 32.4° | 38.0° |
| H46 | C4 | C5 | H49 | 32.2° | 36.4° |
| H46 | C4 | C5 | H48 | 154.2° | 85.9° |
| H50 | C7 | C8 | H51 | 2.0° | 0.0° |
| H62 | C30 | C31 | H64 | 61.0° | 180.0° |
| H62 | C30 | C31 | H65 | 59.0° | 60.0° |
| H62 | C30 | C31 | H63 | 179.0° | 60.0° |
| H62 | C30 | C32 | H67 | 66.3° | 60.0° |
| H62 | C30 | C32 | H68 | 53.7° | 60.0° |
| H62 | C30 | C32 | H66 | 173.7° | 180.0° |
| H64 | C31 | H65 | H63 | 120.0° | 120.0° |
| H67 | C32 | H68 | H66 | 120.0° | 119.9° |
| H70 | C37 | C38 | H71 | 0.4° | 0.0° |
| H71 | C38 | C39 | H72 | 0.5° | 0.1° |
| H72 | C39 | C40 | H73 | 0.2° | 0.0° |
| H73 | C40 | C41 | H74 | 0.2° | 0.3° |
| H77 | C42 | H76 | H75 | 120.0° | 120.1° |
