A1IV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL26 | C25 | sing | 1.74Å | 1.74Å | |
| C24 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | N21 | sing | 1.40Å | 1.42Å | |
| C28 | F29 | sing | 1.35Å | 1.35Å | |
| C30 | N21 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| N21 | C20 | sing | 1.47Å | 1.47Å | |
| C31 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.54Å | 1.54Å | |
| C16 | C32 | sing | 1.51Å | 1.52Å | |
| C15 | N14 | sing | 1.47Å | 1.49Å | |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C37 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| N14 | C37 | sing | 1.40Å | 1.43Å | |
| N14 | S11 | sing | 1.65Å | 1.65Å | |
| C37 | C36 | sing | 1.40Å | 1.38Å | Aromatic |
| O12 | S11 | doub | 1.42Å | 1.43Å | |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N2 | sing | 1.46Å | 1.47Å | |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| S11 | C10 | sing | 1.76Å | 1.75Å | |
| S11 | O13 | doub | 1.42Å | 1.42Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| O5 | S4 | doub | 1.42Å | 1.43Å | |
| N2 | S4 | sing | 1.66Å | 1.62Å | |
| N2 | C1 | sing | 1.46Å | 1.47Å | |
| C7 | S4 | sing | 1.76Å | 1.75Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| S4 | O6 | doub | 1.42Å | 1.42Å | |
| C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H46 | sing | 1.08Å | 1.08Å | |
| C15 | H49 | sing | 1.09Å | 1.10Å | |
| C15 | H48 | sing | 1.09Å | 1.10Å | |
| C19 | H54 | sing | 1.09Å | 1.10Å | |
| C19 | H55 | sing | 1.09Å | 1.10Å | |
| C23 | H58 | sing | 1.08Å | 1.08Å | |
| C24 | H59 | sing | 1.08Å | 1.08Å | |
| C27 | H60 | sing | 1.08Å | 1.08Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C31 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.08Å | 1.08Å | |
| C36 | H68 | sing | 1.08Å | 1.08Å | |
| C38 | H69 | sing | 1.08Å | 1.08Å | |
| C39 | H70 | sing | 1.08Å | 1.08Å | |
| C17 | H51 | sing | 1.09Å | 1.10Å | |
| C17 | H50 | sing | 1.09Å | 1.10Å | |
| C17 | H52 | sing | 1.09Å | 1.10Å | |
| C18 | H53 | sing | 1.09Å | 1.10Å | |
| C20 | H57 | sing | 1.09Å | 1.10Å | |
| C20 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H61 | sing | 1.09Å | 1.10Å | |
| C30 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.08Å | 1.08Å | |
| C34 | H66 | sing | 1.08Å | 1.08Å | |
| C9 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL26 | C25 | C24 | 119.1° | 120.0° |
| CL26 | C25 | C27 | 119.9° | 119.9° |
| C25 | C24 | C23 | 120.0° | 120.2° |
| C24 | C25 | C27 | 121.0° | 120.1° |
| C25 | C24 | H59 | 120.0° | 119.9° |
| C24 | C23 | C22 | 121.1° | 119.9° |
| C24 | C23 | H58 | 119.4° | 120.1° |
| C23 | C24 | H59 | 120.0° | 119.9° |
| C25 | C27 | C28 | 119.1° | 120.0° |
| C25 | C27 | H60 | 120.5° | 120.0° |
| C23 | C22 | C28 | 116.9° | 119.9° |
| C23 | C22 | N21 | 119.2° | 120.0° |
| C22 | C23 | H58 | 119.5° | 120.0° |
| C27 | C28 | C22 | 122.0° | 119.9° |
| C27 | C28 | F29 | 117.4° | 120.0° |
| C28 | C27 | H60 | 120.5° | 120.0° |
| C28 | C22 | N21 | 124.0° | 120.1° |
| C22 | C28 | F29 | 120.6° | 120.1° |
| C22 | N21 | C30 | 114.5° | 111.0° |
| C22 | N21 | C20 | 120.2° | 111.0° |
| N21 | C30 | C31 | 113.1° | 109.5° |
| C30 | N21 | C20 | 113.2° | 111.2° |
| N21 | C30 | H61 | 108.5° | 109.5° |
| N21 | C30 | H62 | 108.5° | 109.4° |
| C30 | C31 | C18 | 110.8° | 109.3° |
| C30 | C31 | H63 | 109.1° | 109.5° |
| C30 | C31 | H64 | 109.1° | 109.5° |
| C31 | C30 | H61 | 108.6° | 109.5° |
| C31 | C30 | H62 | 108.6° | 109.5° |
| N21 | C20 | C19 | 112.8° | 109.5° |
| N21 | C20 | H57 | 108.6° | 109.4° |
| N21 | C20 | H56 | 108.6° | 109.5° |
| C31 | C18 | C19 | 106.6° | 109.2° |
| C31 | C18 | C16 | 115.5° | 109.5° |
| C18 | C31 | H63 | 109.1° | 109.5° |
| C18 | C31 | H64 | 109.2° | 109.5° |
| C31 | C18 | H53 | 105.6° | 109.5° |
| C20 | C19 | C18 | 109.9° | 109.3° |
| C20 | C19 | H54 | 109.4° | 109.6° |
| C20 | C19 | H55 | 109.4° | 109.5° |
| C19 | C20 | H57 | 108.6° | 109.4° |
| C19 | C20 | H56 | 108.6° | 109.5° |
| C19 | C18 | C16 | 117.2° | 109.5° |
| C18 | C19 | H54 | 109.4° | 109.5° |
| C18 | C19 | H55 | 109.3° | 109.5° |
| C19 | C18 | H53 | 105.6° | 109.5° |
| C18 | C16 | C17 | 112.1° | 110.5° |
| C18 | C16 | C15 | 111.4° | 110.4° |
| C18 | C16 | C32 | 113.8° | 110.5° |
| C16 | C18 | H53 | 105.3° | 109.6° |
| C17 | C16 | C15 | 109.6° | 110.4° |
| C17 | C16 | C32 | 107.4° | 110.4° |
| C16 | C17 | H51 | 109.5° | 109.5° |
| C16 | C17 | H50 | 109.5° | 109.5° |
| C16 | C17 | H52 | 109.5° | 109.5° |
| C15 | C16 | C32 | 102.0° | 104.5° |
| C16 | C15 | N14 | 105.5° | 105.2° |
| C16 | C15 | H49 | 110.5° | 110.3° |
| C16 | C15 | H48 | 110.5° | 110.3° |
| C16 | C32 | C33 | 129.8° | 130.9° |
| C16 | C32 | C37 | 110.7° | 108.6° |
| C15 | N14 | C37 | 107.3° | 110.1° |
| C15 | N14 | S11 | 114.9° | 125.0° |
| N14 | C15 | H49 | 110.5° | 110.3° |
| N14 | C15 | H48 | 110.4° | 110.3° |
| C33 | C32 | C37 | 119.4° | 120.5° |
| C32 | C33 | C34 | 120.4° | 120.2° |
| C32 | C33 | H65 | 119.8° | 119.9° |
| C32 | C37 | N14 | 110.1° | 111.6° |
| C32 | C37 | C36 | 120.4° | 119.0° |
| C33 | C34 | C35 | 119.8° | 119.8° |
| C34 | C33 | H65 | 119.8° | 119.9° |
| C33 | C34 | H66 | 120.1° | 120.1° |
| C37 | N14 | S11 | 120.2° | 125.0° |
| N14 | C37 | C36 | 129.5° | 129.3° |
| N14 | S11 | O12 | 106.6° | 106.4° |
| N14 | S11 | C10 | 102.2° | 107.2° |
| N14 | S11 | O13 | 107.5° | 106.4° |
| C37 | C36 | C35 | 120.1° | 120.3° |
| C37 | C36 | H68 | 120.0° | 119.9° |
| O12 | S11 | C10 | 109.8° | 106.4° |
| O12 | S11 | O13 | 120.7° | 123.1° |
| C34 | C35 | C36 | 119.8° | 120.3° |
| C34 | C35 | H67 | 120.1° | 119.8° |
| C35 | C34 | H66 | 120.1° | 120.1° |
| C3 | N2 | S4 | 117.3° | 120.0° |
| C3 | N2 | C1 | 114.1° | 120.0° |
| N2 | C3 | H45 | 109.5° | 109.5° |
| N2 | C3 | H44 | 109.5° | 109.4° |
| N2 | C3 | H43 | 109.5° | 109.4° |
| C39 | C38 | C10 | 119.5° | 120.0° |
| C38 | C39 | C7 | 119.5° | 120.0° |
| C39 | C38 | H69 | 120.2° | 120.0° |
| C38 | C39 | H70 | 120.3° | 120.0° |
| C38 | C10 | S11 | 120.2° | 120.1° |
| C38 | C10 | C9 | 120.7° | 120.0° |
| C10 | C38 | H69 | 120.2° | 119.9° |
| C39 | C7 | S4 | 120.0° | 120.0° |
| C39 | C7 | C8 | 121.0° | 119.9° |
| C7 | C39 | H70 | 120.3° | 120.0° |
| C10 | S11 | O13 | 108.4° | 106.4° |
| S11 | C10 | C9 | 119.0° | 120.0° |
| C10 | C9 | C8 | 119.7° | 120.0° |
| C10 | C9 | H47 | 120.1° | 120.0° |
| C36 | C35 | H67 | 120.1° | 119.9° |
| C35 | C36 | H68 | 119.9° | 119.8° |
| O5 | S4 | N2 | 107.0° | 106.4° |
| O5 | S4 | C7 | 108.8° | 106.4° |
| O5 | S4 | O6 | 120.6° | 123.1° |
| S4 | N2 | C1 | 118.0° | 120.0° |
| N2 | S4 | C7 | 102.5° | 107.2° |
| N2 | S4 | O6 | 107.0° | 106.4° |
| N2 | C1 | H41 | 109.5° | 109.5° |
| N2 | C1 | H40 | 109.5° | 109.5° |
| N2 | C1 | H42 | 109.5° | 109.5° |
| S4 | C7 | C8 | 119.0° | 120.0° |
| C7 | S4 | O6 | 109.4° | 106.4° |
| C7 | C8 | C9 | 119.5° | 120.0° |
| C7 | C8 | H46 | 120.3° | 120.0° |
| C9 | C8 | H46 | 120.3° | 120.0° |
| C8 | C9 | H47 | 120.2° | 120.0° |
| H41 | C1 | H40 | 109.4° | 109.5° |
| H41 | C1 | H42 | 109.4° | 109.4° |
| H40 | C1 | H42 | 109.5° | 109.4° |
| H45 | C3 | H44 | 109.5° | 109.5° |
| H45 | C3 | H43 | 109.5° | 109.5° |
| H44 | C3 | H43 | 109.5° | 109.5° |
| H49 | C15 | H48 | 109.5° | 110.3° |
| H54 | C19 | H55 | 109.5° | 109.5° |
| H63 | C31 | H64 | 109.5° | 109.5° |
| H51 | C17 | H50 | 109.4° | 109.5° |
| H51 | C17 | H52 | 109.5° | 109.4° |
| H50 | C17 | H52 | 109.5° | 109.4° |
| H57 | C20 | H56 | 109.5° | 109.4° |
| H61 | C30 | H62 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL26 | C25 | C24 | C27 | 179.9° | 180.0° |
| CL26 | C25 | C24 | C23 | 180.0° | 179.9° |
| CL26 | C25 | C27 | C28 | 180.0° | 180.0° |
| CL26 | C25 | C24 | H59 | 0.0° | 0.0° |
| CL26 | C25 | C27 | H60 | 0.0° | 0.0° |
| C25 | C24 | C23 | H59 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C24 | C25 | C27 | C28 | 0.1° | 0.1° |
| C25 | C24 | C23 | H58 | 179.8° | 179.9° |
| C24 | C25 | C27 | H60 | 180.0° | 180.0° |
| C23 | C24 | C25 | C27 | 0.0° | 0.0° |
| C24 | C23 | C22 | H58 | 180.0° | 180.0° |
| C24 | C23 | C22 | C28 | 0.3° | 0.0° |
| C24 | C23 | C22 | N21 | 179.8° | 179.7° |
| C25 | C27 | C28 | H60 | 180.0° | 179.9° |
| C25 | C27 | C28 | C22 | 0.1° | 0.1° |
| C25 | C27 | C28 | F29 | 179.9° | 179.7° |
| C27 | C25 | C24 | H59 | 180.0° | 180.0° |
| C23 | C22 | C28 | C27 | 0.3° | 0.1° |
| C23 | C22 | C28 | N21 | 179.4° | 179.7° |
| C23 | C22 | C28 | F29 | 179.7° | 179.7° |
| C23 | C22 | N21 | C30 | 72.3° | 59.7° |
| C23 | C22 | N21 | C20 | 147.7° | 64.5° |
| C22 | C23 | C24 | H59 | 179.8° | 180.0° |
| C27 | C28 | C22 | F29 | 180.0° | 179.8° |
| C27 | C28 | C22 | N21 | 179.7° | 179.8° |
| C28 | C22 | N21 | C30 | 107.1° | 120.0° |
| C28 | C22 | N21 | C20 | 32.9° | 115.8° |
| C28 | C22 | C23 | H58 | 179.6° | 180.0° |
| C22 | C28 | C27 | H60 | 179.9° | 179.9° |
| N21 | C22 | C28 | F29 | 0.3° | 0.0° |
| C22 | N21 | C30 | C20 | 142.8° | 124.1° |
| C22 | N21 | C30 | C31 | 168.1° | 174.1° |
| C22 | N21 | C20 | C19 | 169.3° | 174.1° |
| N21 | C22 | C23 | H58 | 0.2° | 0.3° |
| C22 | N21 | C20 | H57 | 70.2° | 54.1° |
| C22 | N21 | C20 | H56 | 48.8° | 65.8° |
| C22 | N21 | C30 | H61 | 47.5° | 65.8° |
| C22 | N21 | C30 | H62 | 71.4° | 54.2° |
| F29 | C28 | C27 | H60 | 0.1° | 0.3° |
| N21 | C30 | C31 | H61 | 120.5° | 120.0° |
| N21 | C30 | C31 | H62 | 120.6° | 120.0° |
| N21 | C30 | C31 | C18 | 55.2° | 59.2° |
| C30 | N21 | C20 | C19 | 50.2° | 61.8° |
| N21 | C30 | C31 | H63 | 65.0° | 179.1° |
| N21 | C30 | C31 | H64 | 175.4° | 60.8° |
| C30 | N21 | C20 | H57 | 70.3° | 178.2° |
| C30 | N21 | C20 | H56 | 170.7° | 58.3° |
| N21 | C30 | H61 | H62 | 118.3° | 120.0° |
| C31 | C30 | N21 | C20 | 49.1° | 61.7° |
| C30 | C31 | C18 | H63 | 120.2° | 120.0° |
| C30 | C31 | C18 | H64 | 120.2° | 119.9° |
| C30 | C31 | C18 | C19 | 60.1° | 57.6° |
| C30 | C31 | C18 | C16 | 167.7° | 177.6° |
| C30 | C31 | H63 | H64 | 119.4° | 120.1° |
| C30 | C31 | C18 | H53 | 51.9° | 62.3° |
| C31 | C30 | H61 | H62 | 118.4° | 120.0° |
| N21 | C20 | C19 | H57 | 120.5° | 120.0° |
| N21 | C20 | C19 | H56 | 120.5° | 120.1° |
| N21 | C20 | C19 | C18 | 57.0° | 59.2° |
| N21 | C20 | C19 | H54 | 177.1° | 60.7° |
| N21 | C20 | C19 | H55 | 63.0° | 179.2° |
| N21 | C20 | H57 | H56 | 118.5° | 120.0° |
| C20 | N21 | C30 | H61 | 169.7° | 58.3° |
| C20 | N21 | C30 | H62 | 71.4° | 178.3° |
| C31 | C18 | C19 | C20 | 60.8° | 57.7° |
| C31 | C18 | C19 | C16 | 131.2° | 119.9° |
| C31 | C18 | C19 | H53 | 112.0° | 119.9° |
| C31 | C18 | C16 | H53 | 116.0° | 120.1° |
| C31 | C18 | C16 | C17 | 15.3° | 178.1° |
| C31 | C18 | C16 | C15 | 107.9° | 59.4° |
| C31 | C18 | C16 | C32 | 137.4° | 55.6° |
| C31 | C18 | C19 | H54 | 179.2° | 62.3° |
| C31 | C18 | C19 | H55 | 59.3° | 177.6° |
| C18 | C31 | H63 | H64 | 119.4° | 120.1° |
| C18 | C31 | C30 | H61 | 175.7° | 60.9° |
| C18 | C31 | C30 | H62 | 65.3° | 179.1° |
| C20 | C19 | C18 | H54 | 120.0° | 120.0° |
| C20 | C19 | C18 | H55 | 120.0° | 120.0° |
| C20 | C19 | C18 | C16 | 168.0° | 177.6° |
| C20 | C19 | H54 | H55 | 119.8° | 120.2° |
| C20 | C19 | C18 | H53 | 51.2° | 62.2° |
| C19 | C20 | H57 | H56 | 118.5° | 120.0° |
| C19 | C18 | C16 | H53 | 117.0° | 120.2° |
| C19 | C18 | C16 | C17 | 111.7° | 62.2° |
| C19 | C18 | C16 | C15 | 125.1° | 60.3° |
| C19 | C18 | C16 | C32 | 10.4° | 175.3° |
| C18 | C19 | H54 | H55 | 119.8° | 120.0° |
| C19 | C18 | C31 | H63 | 60.1° | 177.6° |
| C19 | C18 | C31 | H64 | 179.7° | 62.3° |
| C18 | C19 | C20 | H57 | 63.5° | 179.2° |
| C18 | C19 | C20 | H56 | 177.5° | 60.8° |
| C18 | C16 | C17 | C15 | 124.2° | 122.4° |
| C18 | C16 | C17 | C32 | 125.7° | 122.5° |
| C18 | C16 | C15 | C32 | 121.8° | 118.8° |
| C18 | C16 | C15 | N14 | 102.2° | 118.8° |
| C18 | C16 | C32 | C33 | 72.5° | 61.3° |
| C18 | C16 | C32 | C37 | 107.6° | 118.7° |
| C18 | C16 | C15 | H49 | 138.4° | 122.3° |
| C18 | C16 | C15 | H48 | 17.1° | 0.2° |
| C16 | C18 | C19 | H54 | 48.0° | 57.6° |
| C16 | C18 | C19 | H55 | 71.9° | 62.4° |
| C16 | C18 | C31 | H63 | 72.1° | 62.5° |
| C16 | C18 | C31 | H64 | 47.5° | 57.6° |
| C18 | C16 | C17 | H51 | 180.0° | 178.3° |
| C18 | C16 | C17 | H50 | 60.0° | 58.3° |
| C18 | C16 | C17 | H52 | 60.0° | 61.7° |
| C17 | C16 | C15 | C32 | 113.6° | 118.7° |
| C17 | C16 | C15 | N14 | 133.1° | 118.8° |
| C17 | C16 | C32 | C33 | 52.2° | 61.2° |
| C17 | C16 | C32 | C37 | 127.7° | 118.7° |
| C17 | C16 | C15 | H49 | 13.7° | 0.2° |
| C17 | C16 | C15 | H48 | 107.6° | 122.3° |
| C16 | C17 | H51 | H50 | 120.0° | 120.1° |
| C16 | C17 | H51 | H52 | 120.0° | 120.0° |
| C16 | C17 | H50 | H52 | 120.0° | 120.0° |
| C17 | C16 | C18 | H53 | 131.3° | 58.0° |
| C16 | C15 | N14 | H49 | 119.4° | 119.0° |
| C16 | C15 | N14 | H48 | 119.3° | 119.0° |
| C15 | C16 | C32 | C33 | 167.4° | 180.0° |
| C15 | C16 | C32 | C37 | 12.5° | 0.0° |
| C16 | C15 | N14 | C37 | 20.6° | 0.0° |
| C16 | C15 | N14 | S11 | 157.1° | 180.0° |
| C16 | C15 | H49 | H48 | 121.8° | 122.2° |
| C15 | C16 | C17 | H51 | 55.8° | 59.3° |
| C15 | C16 | C17 | H50 | 175.8° | 179.3° |
| C15 | C16 | C17 | H52 | 64.2° | 60.7° |
| C15 | C16 | C18 | H53 | 8.1° | 179.6° |
| C32 | C16 | C15 | N14 | 19.6° | 0.0° |
| C16 | C32 | C33 | C37 | 179.9° | 180.0° |
| C16 | C32 | C33 | C34 | 180.0° | 180.0° |
| C16 | C32 | C37 | N14 | 0.1° | 0.0° |
| C16 | C32 | C37 | C36 | 179.9° | 180.0° |
| C32 | C16 | C15 | H49 | 99.8° | 118.9° |
| C32 | C16 | C15 | H48 | 138.9° | 119.0° |
| C32 | C16 | C17 | H51 | 54.3° | 55.8° |
| C32 | C16 | C17 | H50 | 65.7° | 64.2° |
| C32 | C16 | C17 | H52 | 174.3° | 175.8° |
| C32 | C16 | C18 | H53 | 106.6° | 64.5° |
| C16 | C32 | C33 | H65 | 0.0° | 0.1° |
| C15 | N14 | C37 | C32 | 13.1° | 0.0° |
| C15 | N14 | C37 | S11 | 133.8° | 180.0° |
| C15 | N14 | C37 | C36 | 166.7° | 180.0° |
| C15 | N14 | S11 | O12 | 35.8° | 23.6° |
| C15 | N14 | S11 | C10 | 79.4° | 90.0° |
| C15 | N14 | S11 | O13 | 166.5° | 156.5° |
| N14 | C15 | H49 | H48 | 121.9° | 122.0° |
| C32 | C33 | C34 | H65 | 180.0° | 179.9° |
| C33 | C32 | C37 | N14 | 179.8° | 180.0° |
| C33 | C32 | C37 | C36 | 0.0° | 0.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H66 | 179.9° | 180.0° |
| C37 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C37 | N14 | C36 | 179.8° | 180.0° |
| C32 | C37 | N14 | S11 | 146.9° | 180.0° |
| C32 | C37 | C36 | C35 | 0.0° | 0.0° |
| C32 | C37 | C36 | H68 | 180.0° | 180.0° |
| C37 | C32 | C33 | H65 | 179.9° | 180.0° |
| C33 | C34 | C35 | H66 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H67 | 180.0° | 180.0° |
| C37 | N14 | S11 | O12 | 166.3° | 156.4° |
| C37 | N14 | S11 | C10 | 51.1° | 90.1° |
| C37 | N14 | S11 | O13 | 62.9° | 23.5° |
| N14 | C37 | C36 | C35 | 179.8° | 180.0° |
| C37 | N14 | C15 | H49 | 98.8° | 119.0° |
| C37 | N14 | C15 | H48 | 139.9° | 119.0° |
| N14 | C37 | C36 | H68 | 0.2° | 0.0° |
| S11 | N14 | C37 | C36 | 32.9° | 0.0° |
| N14 | S11 | O12 | C10 | 110.0° | 114.1° |
| N14 | S11 | O12 | O13 | 122.8° | 123.0° |
| N14 | S11 | C10 | C38 | 80.4° | 89.7° |
| N14 | S11 | C10 | O13 | 113.3° | 113.6° |
| N14 | S11 | C10 | C9 | 98.8° | 90.0° |
| S11 | N14 | C15 | H49 | 37.7° | 61.0° |
| S11 | N14 | C15 | H48 | 83.6° | 61.0° |
| C37 | C36 | C35 | C34 | 0.1° | 0.0° |
| C37 | C36 | C35 | H68 | 180.0° | 180.0° |
| C37 | C36 | C35 | H67 | 179.9° | 180.0° |
| O12 | S11 | C10 | C38 | 32.4° | 23.8° |
| O12 | S11 | C10 | O13 | 133.8° | 132.9° |
| O12 | S11 | C10 | C9 | 148.4° | 156.4° |
| C34 | C35 | C36 | H67 | 180.0° | 180.0° |
| C34 | C35 | C36 | H68 | 180.0° | 180.0° |
| C35 | C34 | C33 | H65 | 179.9° | 180.0° |
| C3 | N2 | S4 | O5 | 47.9° | 23.5° |
| C3 | N2 | S4 | C1 | 142.5° | 180.0° |
| C3 | N2 | S4 | C7 | 66.5° | 90.0° |
| C3 | N2 | S4 | O6 | 178.5° | 156.4° |
| C3 | N2 | C1 | H41 | 180.0° | 0.1° |
| C3 | N2 | C1 | H40 | 60.0° | 120.0° |
| C3 | N2 | C1 | H42 | 60.0° | 120.0° |
| N2 | C3 | H45 | H44 | 120.0° | 120.0° |
| N2 | C3 | H45 | H43 | 120.0° | 120.0° |
| N2 | C3 | H44 | H43 | 120.0° | 119.9° |
| C39 | C38 | C10 | H69 | 180.0° | 180.0° |
| C38 | C39 | C7 | H70 | 180.0° | 180.0° |
| C39 | C38 | C10 | S11 | 179.6° | 180.0° |
| C39 | C38 | C10 | C9 | 0.4° | 0.3° |
| C38 | C39 | C7 | S4 | 179.5° | 180.0° |
| C38 | C39 | C7 | C8 | 0.3° | 0.2° |
| C10 | C38 | C39 | C7 | 0.1° | 0.0° |
| C38 | C10 | S11 | C9 | 179.2° | 179.7° |
| C38 | C10 | S11 | O13 | 166.2° | 156.7° |
| C38 | C10 | C9 | C8 | 0.4° | 0.3° |
| C10 | C38 | C39 | H70 | 179.9° | 180.0° |
| C38 | C10 | C9 | H47 | 179.7° | 180.0° |
| C39 | C7 | S4 | O5 | 17.9° | 23.3° |
| C39 | C7 | S4 | N2 | 95.1° | 90.2° |
| C39 | C7 | S4 | C8 | 179.2° | 179.8° |
| C39 | C7 | S4 | O6 | 151.6° | 156.2° |
| C39 | C7 | C8 | C9 | 0.4° | 0.2° |
| C39 | C7 | C8 | H46 | 179.6° | 179.7° |
| C7 | C39 | C38 | H69 | 179.9° | 180.0° |
| S11 | C10 | C9 | C8 | 179.6° | 180.0° |
| S11 | C10 | C38 | H69 | 0.4° | 0.0° |
| S11 | C10 | C9 | H47 | 0.5° | 0.2° |
| O13 | S11 | C10 | C9 | 14.6° | 23.6° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C10 | C9 | C8 | H47 | 180.0° | 179.8° |
| C10 | C9 | C8 | H46 | 180.0° | 180.0° |
| C9 | C10 | C38 | H69 | 179.6° | 179.7° |
| C36 | C35 | C34 | H66 | 180.0° | 180.0° |
| O5 | S4 | N2 | C7 | 114.4° | 113.5° |
| O5 | S4 | N2 | O6 | 130.6° | 132.9° |
| O5 | S4 | N2 | C1 | 169.6° | 156.5° |
| O5 | S4 | C7 | O6 | 133.7° | 132.9° |
| O5 | S4 | C7 | C8 | 162.8° | 156.5° |
| N2 | S4 | C7 | O6 | 113.3° | 113.6° |
| N2 | S4 | C7 | C8 | 84.1° | 90.0° |
| S4 | N2 | C1 | H41 | 36.3° | 180.0° |
| S4 | N2 | C1 | H40 | 83.6° | 60.0° |
| S4 | N2 | C1 | H42 | 156.3° | 60.0° |
| S4 | N2 | C3 | H45 | 180.0° | 90.0° |
| S4 | N2 | C3 | H44 | 60.0° | 150.0° |
| S4 | N2 | C3 | H43 | 60.0° | 30.0° |
| C1 | N2 | S4 | C7 | 76.1° | 90.0° |
| C1 | N2 | S4 | O6 | 39.0° | 23.5° |
| N2 | C1 | H41 | H40 | 120.0° | 120.1° |
| N2 | C1 | H41 | H42 | 120.0° | 120.0° |
| N2 | C1 | H40 | H42 | 120.0° | 120.0° |
| C1 | N2 | C3 | H45 | 36.0° | 90.0° |
| C1 | N2 | C3 | H44 | 84.0° | 30.0° |
| C1 | N2 | C3 | H43 | 156.1° | 150.0° |
| S4 | C7 | C8 | C9 | 179.6° | 180.0° |
| S4 | C7 | C8 | H46 | 0.4° | 0.0° |
| S4 | C7 | C39 | H70 | 0.5° | 0.1° |
| C8 | C7 | S4 | O6 | 29.1° | 23.6° |
| C7 | C8 | C9 | H46 | 180.0° | 180.0° |
| C8 | C7 | C39 | H70 | 179.7° | 179.7° |
| C7 | C8 | C9 | H47 | 180.0° | 179.8° |
| H41 | C1 | H40 | H42 | 119.9° | 119.9° |
| H45 | C3 | H44 | H43 | 120.0° | 120.0° |
| H46 | C8 | C9 | H47 | 0.0° | 0.2° |
| H54 | C19 | C18 | H53 | 68.8° | 177.8° |
| H54 | C19 | C20 | H57 | 56.6° | 59.3° |
| H54 | C19 | C20 | H56 | 62.4° | 179.2° |
| H55 | C19 | C18 | H53 | 171.3° | 57.8° |
| H55 | C19 | C20 | H57 | 176.5° | 60.9° |
| H55 | C19 | C20 | H56 | 57.5° | 59.1° |
| H58 | C23 | C24 | H59 | 0.2° | 0.0° |
| H63 | C31 | C18 | H53 | 172.1° | 57.7° |
| H63 | C31 | C30 | H61 | 55.6° | 59.1° |
| H63 | C31 | C30 | H62 | 174.5° | 60.9° |
| H64 | C31 | C18 | H53 | 68.3° | 177.8° |
| H64 | C31 | C30 | H61 | 64.0° | 179.2° |
| H64 | C31 | C30 | H62 | 54.9° | 59.2° |
| H67 | C35 | C36 | H68 | 0.0° | 0.0° |
| H67 | C35 | C34 | H66 | 0.0° | 0.0° |
| H69 | C38 | C39 | H70 | 0.1° | 0.0° |
| H51 | C17 | H50 | H52 | 120.0° | 119.9° |
| H65 | C33 | C34 | H66 | 0.1° | 0.0° |
