A1H55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | N7 | sing | 1.47Å | 1.45Å | |
| O16 | S13 | doub | 1.42Å | 1.43Å | |
| CL38 | C1 | sing | 1.74Å | 1.72Å | |
| C11 | N12 | sing | 1.47Å | 1.54Å | |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N12 | S13 | sing | 1.66Å | 1.66Å | |
| N12 | C9 | sing | 1.47Å | 1.51Å | |
| C1 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| S13 | O15 | doub | 1.42Å | 1.43Å | |
| S13 | C14 | sing | 1.76Å | 1.73Å | |
| N7 | C3 | sing | 1.40Å | 1.43Å | |
| N7 | C8 | sing | 1.47Å | 1.43Å | |
| C3 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | CL37 | sing | 1.74Å | 1.70Å | |
| C17 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | N22 | sing | 1.40Å | 1.38Å | |
| N22 | C23 | sing | 1.35Å | 1.35Å | |
| C23 | O24 | doub | 1.22Å | 1.23Å | |
| C23 | C25 | sing | 1.48Å | 1.53Å | |
| C25 | C26 | doub | 1.40Å | 1.41Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | N31 | sing | 1.40Å | 1.44Å | |
| N31 | S32 | sing | 1.66Å | 1.66Å | |
| O34 | S32 | doub | 1.42Å | 1.44Å | |
| S32 | O35 | doub | 1.42Å | 1.42Å | |
| S32 | C33 | sing | 1.81Å | 1.78Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| N22 | H16 | sing | 0.97Å | 1.00Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.08Å | 1.08Å | |
| N31 | H21 | sing | 0.97Å | 1.00Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N7 | 108.4° | 109.3° |
| C10 | C11 | N12 | 112.0° | 108.6° |
| C11 | C10 | H8 | 109.8° | 109.5° |
| C11 | C10 | H9 | 109.7° | 109.5° |
| C10 | C11 | H10 | 108.9° | 109.6° |
| C10 | C11 | H11 | 108.8° | 109.6° |
| C10 | N7 | C3 | 113.6° | 111.0° |
| C10 | N7 | C8 | 109.1° | 111.3° |
| N7 | C10 | H8 | 109.7° | 109.5° |
| N7 | C10 | H9 | 109.7° | 109.5° |
| O16 | S13 | N12 | 107.2° | 106.4° |
| O16 | S13 | O15 | 119.3° | 123.1° |
| O16 | S13 | C14 | 107.1° | 106.4° |
| CL38 | C1 | C2 | 120.5° | 120.0° |
| CL38 | C1 | C6 | 116.3° | 119.9° |
| C11 | N12 | S13 | 115.5° | 120.9° |
| C11 | N12 | C9 | 112.4° | 118.2° |
| N12 | C11 | H10 | 108.8° | 109.6° |
| N12 | C11 | H11 | 108.8° | 109.6° |
| C1 | C2 | C3 | 119.2° | 120.0° |
| C2 | C1 | C6 | 123.1° | 120.1° |
| C1 | C2 | H1 | 120.4° | 120.0° |
| C2 | C3 | N7 | 121.7° | 120.1° |
| C2 | C3 | C4 | 117.9° | 119.9° |
| C3 | C2 | H1 | 120.4° | 120.0° |
| S13 | N12 | C9 | 114.9° | 120.9° |
| N12 | S13 | O15 | 107.2° | 106.4° |
| N12 | S13 | C14 | 106.5° | 107.2° |
| N12 | C9 | C8 | 111.3° | 108.5° |
| N12 | C9 | H6 | 109.0° | 109.6° |
| N12 | C9 | H7 | 109.0° | 109.8° |
| C1 | C6 | C5 | 115.6° | 120.1° |
| C1 | C6 | H3 | 122.2° | 120.0° |
| O15 | S13 | C14 | 108.9° | 106.4° |
| S13 | C14 | C17 | 119.0° | 119.9° |
| S13 | C14 | C20 | 120.7° | 119.9° |
| C3 | N7 | C8 | 117.7° | 111.0° |
| N7 | C3 | C4 | 120.0° | 120.1° |
| N7 | C8 | C9 | 107.4° | 109.3° |
| N7 | C8 | H4 | 110.0° | 109.5° |
| N7 | C8 | H5 | 110.0° | 109.5° |
| C3 | C4 | C5 | 120.3° | 119.9° |
| C3 | C4 | H2 | 119.9° | 120.0° |
| C9 | C8 | H4 | 110.0° | 109.5° |
| C9 | C8 | H5 | 110.0° | 109.5° |
| C8 | C9 | H6 | 109.0° | 109.6° |
| C8 | C9 | H7 | 109.0° | 109.6° |
| C6 | C5 | C4 | 123.6° | 120.1° |
| C6 | C5 | CL37 | 118.4° | 120.0° |
| C5 | C6 | H3 | 122.2° | 119.9° |
| C4 | C5 | CL37 | 117.9° | 120.0° |
| C5 | C4 | H2 | 119.8° | 120.1° |
| C14 | C17 | C18 | 120.3° | 120.0° |
| C17 | C14 | C20 | 120.1° | 120.1° |
| C14 | C17 | H12 | 119.9° | 119.9° |
| C17 | C18 | C19 | 120.1° | 119.9° |
| C18 | C17 | H12 | 119.9° | 120.0° |
| C17 | C18 | H13 | 119.9° | 120.0° |
| C14 | C20 | C21 | 119.5° | 120.1° |
| C14 | C20 | H14 | 120.3° | 119.9° |
| C18 | C19 | C21 | 120.1° | 119.9° |
| C18 | C19 | N22 | 118.5° | 120.1° |
| C19 | C18 | H13 | 120.0° | 120.1° |
| C20 | C21 | C19 | 119.9° | 119.9° |
| C21 | C20 | H14 | 120.3° | 120.0° |
| C20 | C21 | H15 | 120.1° | 120.1° |
| C21 | C19 | N22 | 121.2° | 120.0° |
| C19 | C21 | H15 | 120.0° | 120.0° |
| C19 | N22 | C23 | 123.1° | 120.0° |
| C19 | N22 | H16 | 118.4° | 120.0° |
| N22 | C23 | O24 | 120.7° | 120.0° |
| N22 | C23 | C25 | 118.2° | 120.0° |
| C23 | N22 | H16 | 118.4° | 120.1° |
| O24 | C23 | C25 | 121.1° | 120.0° |
| C23 | C25 | C26 | 118.7° | 120.1° |
| C23 | C25 | C30 | 122.1° | 120.1° |
| C26 | C25 | C30 | 119.1° | 119.7° |
| C25 | C26 | C27 | 120.6° | 120.0° |
| C25 | C26 | H17 | 119.7° | 120.0° |
| C25 | C30 | C29 | 120.0° | 119.8° |
| C25 | C30 | H20 | 120.0° | 120.1° |
| C26 | C27 | C28 | 120.1° | 120.2° |
| C27 | C26 | H17 | 119.7° | 120.0° |
| C26 | C27 | H18 | 119.9° | 119.9° |
| C30 | C29 | C28 | 120.1° | 120.0° |
| C30 | C29 | N31 | 121.3° | 120.0° |
| C29 | C30 | H20 | 120.0° | 120.1° |
| C27 | C28 | C29 | 120.1° | 120.2° |
| C28 | C27 | H18 | 119.9° | 119.9° |
| C27 | C28 | H19 | 120.0° | 119.9° |
| C28 | C29 | N31 | 118.6° | 120.0° |
| C29 | C28 | H19 | 120.0° | 119.9° |
| C29 | N31 | S32 | 122.4° | 120.0° |
| C29 | N31 | H21 | 106.1° | 120.0° |
| N31 | S32 | O34 | 107.8° | 104.3° |
| N31 | S32 | O35 | 106.6° | 104.3° |
| N31 | S32 | C33 | 110.5° | 104.5° |
| S32 | N31 | H21 | 106.2° | 120.0° |
| O34 | S32 | O35 | 118.4° | 121.0° |
| O34 | S32 | C33 | 108.6° | 110.6° |
| O35 | S32 | C33 | 104.8° | 110.5° |
| S32 | C33 | H22 | 109.5° | 109.5° |
| S32 | C33 | H23 | 109.4° | 109.5° |
| S32 | C33 | H24 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.7° |
| H8 | C10 | H9 | 109.5° | 109.6° |
| H10 | C11 | H11 | 109.5° | 109.8° |
| H22 | C33 | H23 | 109.4° | 109.4° |
| H22 | C33 | H24 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N7 | H8 | 119.8° | 119.9° |
| C11 | C10 | N7 | H9 | 119.8° | 119.9° |
| C10 | C11 | N12 | H10 | 120.4° | 119.7° |
| C10 | C11 | N12 | H11 | 120.4° | 119.7° |
| C10 | C11 | N12 | S13 | 176.8° | 128.8° |
| C10 | C11 | N12 | C9 | 42.2° | 51.2° |
| C11 | C10 | N7 | C3 | 159.2° | 172.8° |
| C11 | C10 | N7 | C8 | 67.3° | 63.1° |
| C11 | C10 | H8 | H9 | 120.5° | 120.1° |
| C10 | C11 | H10 | H11 | 118.8° | 120.5° |
| N7 | C10 | C11 | N12 | 51.2° | 53.8° |
| C10 | N7 | C3 | C2 | 30.5° | 55.7° |
| C10 | N7 | C3 | C8 | 129.2° | 124.3° |
| C10 | N7 | C3 | C4 | 156.8° | 124.3° |
| C10 | N7 | C8 | C9 | 72.3° | 63.1° |
| C10 | N7 | C8 | H4 | 168.0° | 176.9° |
| C10 | N7 | C8 | H5 | 47.4° | 56.8° |
| N7 | C10 | H8 | H9 | 120.5° | 120.1° |
| N7 | C10 | C11 | H10 | 171.6° | 173.5° |
| N7 | C10 | C11 | H11 | 69.2° | 65.9° |
| O16 | S13 | N12 | C11 | 48.1° | 23.5° |
| O16 | S13 | N12 | O15 | 129.2° | 132.9° |
| O16 | S13 | N12 | C14 | 114.3° | 113.5° |
| O16 | S13 | N12 | C9 | 178.4° | 156.5° |
| O16 | S13 | O15 | C14 | 123.2° | 123.0° |
| O16 | S13 | C14 | C17 | 19.7° | 23.9° |
| O16 | S13 | C14 | C20 | 165.3° | 156.5° |
| CL38 | C1 | C2 | C6 | 179.1° | 179.8° |
| CL38 | C1 | C2 | C3 | 175.6° | 179.7° |
| CL38 | C1 | C6 | C5 | 178.4° | 179.7° |
| CL38 | C1 | C2 | H1 | 4.3° | 0.3° |
| CL38 | C1 | C6 | H3 | 1.6° | 0.2° |
| C11 | N12 | S13 | C9 | 133.4° | 180.0° |
| C11 | N12 | S13 | O15 | 177.4° | 156.4° |
| C11 | N12 | S13 | C14 | 66.2° | 90.0° |
| C11 | N12 | C9 | C8 | 46.7° | 51.2° |
| C11 | N12 | C9 | H6 | 167.0° | 68.5° |
| C11 | N12 | C9 | H7 | 73.6° | 170.9° |
| N12 | C11 | C10 | H8 | 171.0° | 66.1° |
| N12 | C11 | C10 | H9 | 68.6° | 173.8° |
| N12 | C11 | H10 | H11 | 118.8° | 120.4° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | N7 | 177.9° | 180.0° |
| C1 | C2 | C3 | C4 | 5.1° | 0.0° |
| C2 | C1 | C6 | C5 | 0.8° | 0.1° |
| C2 | C1 | C6 | H3 | 179.3° | 180.0° |
| C3 | C2 | C1 | C6 | 3.5° | 0.1° |
| C2 | C3 | N7 | C4 | 172.6° | 180.0° |
| C2 | C3 | N7 | C8 | 159.8° | 180.0° |
| C2 | C3 | C4 | C5 | 4.2° | 0.0° |
| C2 | C3 | C4 | H2 | 175.8° | 179.9° |
| N12 | S13 | O15 | C14 | 114.8° | 114.1° |
| S13 | N12 | C9 | C8 | 178.4° | 128.8° |
| N12 | S13 | C14 | C17 | 94.7° | 89.6° |
| N12 | S13 | C14 | C20 | 80.2° | 90.0° |
| S13 | N12 | C9 | H6 | 58.1° | 111.5° |
| S13 | N12 | C9 | H7 | 61.3° | 9.1° |
| S13 | N12 | C11 | H10 | 62.8° | 9.1° |
| S13 | N12 | C11 | H11 | 56.5° | 111.4° |
| C9 | N12 | S13 | O15 | 49.2° | 23.6° |
| C9 | N12 | S13 | C14 | 67.3° | 90.0° |
| N12 | C9 | C8 | N7 | 60.9° | 53.8° |
| N12 | C9 | C8 | H6 | 120.3° | 119.7° |
| N12 | C9 | C8 | H7 | 120.3° | 119.9° |
| N12 | C9 | C8 | H4 | 179.4° | 173.8° |
| N12 | C9 | C8 | H5 | 58.8° | 66.1° |
| N12 | C9 | H6 | H7 | 119.2° | 120.6° |
| C9 | N12 | C11 | H10 | 162.6° | 170.9° |
| C9 | N12 | C11 | H11 | 78.2° | 68.5° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | CL37 | 179.2° | 180.0° |
| C6 | C1 | C2 | H1 | 176.5° | 179.9° |
| O15 | S13 | C14 | C17 | 150.0° | 156.8° |
| O15 | S13 | C14 | C20 | 35.1° | 23.5° |
| S13 | C14 | C17 | C20 | 175.0° | 179.7° |
| S13 | C14 | C17 | C18 | 177.1° | 180.0° |
| S13 | C14 | C20 | C21 | 176.1° | 179.7° |
| S13 | C14 | C17 | H12 | 2.8° | 0.1° |
| S13 | C14 | C20 | H14 | 3.9° | 0.1° |
| C3 | N7 | C8 | C9 | 156.4° | 172.7° |
| N7 | C3 | C4 | C5 | 177.1° | 180.0° |
| N7 | C3 | C2 | H1 | 2.1° | 0.0° |
| N7 | C3 | C4 | H2 | 2.9° | 0.0° |
| C3 | N7 | C8 | H4 | 36.7° | 52.8° |
| C3 | N7 | C8 | H5 | 83.9° | 67.3° |
| C3 | N7 | C10 | H8 | 39.3° | 67.4° |
| C3 | N7 | C10 | H9 | 81.0° | 52.8° |
| C8 | N7 | C3 | C4 | 27.6° | 0.0° |
| N7 | C8 | C9 | H4 | 119.7° | 120.0° |
| N7 | C8 | C9 | H5 | 119.7° | 120.0° |
| N7 | C8 | H4 | H5 | 120.9° | 120.1° |
| N7 | C8 | C9 | H6 | 178.8° | 65.9° |
| N7 | C8 | C9 | H7 | 59.4° | 173.7° |
| C8 | N7 | C10 | H8 | 172.8° | 56.8° |
| C8 | N7 | C10 | H9 | 52.5° | 176.9° |
| C3 | C4 | C5 | C6 | 1.6° | 0.0° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | CL37 | 177.4° | 180.0° |
| C4 | C3 | C2 | H1 | 174.9° | 180.0° |
| C9 | C8 | H4 | H5 | 121.0° | 120.1° |
| C8 | C9 | H6 | H7 | 119.2° | 120.3° |
| C6 | C5 | C4 | CL37 | 179.0° | 180.0° |
| C6 | C5 | C4 | H2 | 178.4° | 180.0° |
| C4 | C5 | C6 | H3 | 179.7° | 180.0° |
| CL37 | C5 | C4 | H2 | 2.6° | 0.0° |
| CL37 | C5 | C6 | H3 | 0.8° | 0.0° |
| C14 | C17 | C18 | H12 | 180.0° | 179.9° |
| C14 | C17 | C18 | C19 | 0.5° | 0.1° |
| C17 | C14 | C20 | C21 | 1.2° | 0.6° |
| C14 | C17 | C18 | H13 | 179.5° | 179.9° |
| C17 | C14 | C20 | H14 | 178.8° | 179.6° |
| C18 | C17 | C14 | C20 | 2.2° | 0.3° |
| C17 | C18 | C19 | H13 | 180.0° | 180.0° |
| C17 | C18 | C19 | C21 | 2.1° | 0.0° |
| C17 | C18 | C19 | N22 | 177.5° | 180.0° |
| C14 | C20 | C21 | H14 | 180.0° | 179.8° |
| C14 | C20 | C21 | C19 | 1.4° | 0.5° |
| C20 | C14 | C17 | H12 | 177.8° | 179.7° |
| C14 | C20 | C21 | H15 | 178.6° | 179.7° |
| C18 | C19 | C21 | C20 | 3.0° | 0.3° |
| C18 | C19 | C21 | N22 | 175.3° | 180.0° |
| C18 | C19 | N22 | C23 | 150.3° | 33.3° |
| C19 | C18 | C17 | H12 | 179.5° | 180.0° |
| C18 | C19 | C21 | H15 | 177.0° | 180.0° |
| C18 | C19 | N22 | H16 | 29.7° | 146.7° |
| C20 | C21 | C19 | H15 | 180.0° | 179.7° |
| C20 | C21 | C19 | N22 | 178.3° | 179.7° |
| C21 | C19 | N22 | C23 | 34.3° | 146.7° |
| C21 | C19 | C18 | H13 | 177.9° | 180.0° |
| C19 | C21 | C20 | H14 | 178.7° | 179.6° |
| C21 | C19 | N22 | H16 | 145.7° | 33.3° |
| C19 | N22 | C23 | H16 | 180.0° | 180.0° |
| C19 | N22 | C23 | O24 | 0.7° | 5.3° |
| C19 | N22 | C23 | C25 | 179.0° | 174.7° |
| N22 | C19 | C18 | H13 | 2.5° | 0.0° |
| N22 | C19 | C21 | H15 | 1.7° | 0.0° |
| N22 | C23 | O24 | C25 | 178.2° | 180.0° |
| N22 | C23 | C25 | C26 | 43.6° | 0.0° |
| N22 | C23 | C25 | C30 | 134.2° | 179.8° |
| O24 | C23 | C25 | C26 | 134.7° | 180.0° |
| O24 | C23 | C25 | C30 | 47.5° | 0.2° |
| O24 | C23 | N22 | H16 | 179.3° | 174.7° |
| C23 | C25 | C26 | C30 | 177.8° | 179.8° |
| C23 | C25 | C26 | C27 | 178.4° | 180.0° |
| C23 | C25 | C30 | C29 | 179.3° | 179.8° |
| C25 | C23 | N22 | H16 | 1.0° | 5.3° |
| C23 | C25 | C26 | H17 | 1.6° | 0.1° |
| C23 | C25 | C30 | H20 | 0.7° | 0.0° |
| C25 | C26 | C27 | H17 | 180.0° | 179.9° |
| C26 | C25 | C30 | C29 | 1.6° | 0.4° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H18 | 179.8° | 180.0° |
| C26 | C25 | C30 | H20 | 178.5° | 179.7° |
| C30 | C25 | C26 | C27 | 0.6° | 0.2° |
| C25 | C30 | C29 | H20 | 180.0° | 179.8° |
| C25 | C30 | C29 | C28 | 2.1° | 0.5° |
| C25 | C30 | C29 | N31 | 179.8° | 179.8° |
| C30 | C25 | C26 | H17 | 179.4° | 179.8° |
| C26 | C27 | C28 | H18 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.6° | 0.0° |
| C26 | C27 | C28 | H19 | 179.4° | 180.0° |
| C30 | C29 | C28 | C27 | 1.6° | 0.2° |
| C30 | C29 | C28 | N31 | 177.8° | 179.8° |
| C30 | C29 | N31 | S32 | 57.8° | 134.8° |
| C30 | C29 | C28 | H19 | 178.4° | 179.8° |
| C30 | C29 | N31 | H21 | 64.0° | 45.2° |
| C27 | C28 | C29 | H19 | 180.0° | 180.0° |
| C27 | C28 | C29 | N31 | 179.4° | 180.0° |
| C28 | C27 | C26 | H17 | 179.9° | 179.9° |
| C28 | C29 | N31 | S32 | 124.4° | 45.0° |
| C29 | C28 | C27 | H18 | 179.4° | 180.0° |
| C28 | C29 | C30 | H20 | 178.0° | 179.7° |
| C28 | C29 | N31 | H21 | 113.8° | 135.0° |
| C29 | N31 | S32 | H21 | 121.8° | 180.0° |
| C29 | N31 | S32 | O34 | 30.4° | 178.9° |
| C29 | N31 | S32 | O35 | 158.5° | 51.1° |
| C29 | N31 | S32 | C33 | 88.2° | 65.0° |
| N31 | C29 | C28 | H19 | 0.6° | 0.0° |
| N31 | C29 | C30 | H20 | 0.2° | 0.0° |
| N31 | S32 | O34 | O35 | 121.0° | 116.7° |
| N31 | S32 | O34 | C33 | 119.8° | 111.8° |
| N31 | S32 | O35 | C33 | 117.2° | 111.8° |
| N31 | S32 | C33 | H22 | 180.0° | 60.0° |
| N31 | S32 | C33 | H23 | 60.0° | 180.0° |
| N31 | S32 | C33 | H24 | 60.0° | 60.0° |
| O34 | S32 | O35 | C33 | 121.2° | 131.5° |
| O34 | S32 | N31 | H21 | 91.4° | 1.1° |
| O34 | S32 | C33 | H22 | 61.9° | 51.6° |
| O34 | S32 | C33 | H23 | 178.1° | 68.4° |
| O34 | S32 | C33 | H24 | 58.1° | 171.6° |
| O35 | S32 | N31 | H21 | 36.7° | 128.9° |
| O35 | S32 | C33 | H22 | 65.5° | 171.6° |
| O35 | S32 | C33 | H23 | 54.5° | 68.4° |
| O35 | S32 | C33 | H24 | 174.5° | 51.6° |
| C33 | S32 | N31 | H21 | 150.1° | 115.0° |
| S32 | C33 | H22 | H23 | 120.0° | 120.0° |
| S32 | C33 | H22 | H24 | 120.0° | 120.0° |
| S32 | C33 | H23 | H24 | 120.0° | 120.0° |
| H4 | C8 | C9 | H6 | 59.2° | 54.1° |
| H4 | C8 | C9 | H7 | 60.3° | 66.3° |
| H5 | C8 | C9 | H6 | 61.5° | 174.2° |
| H5 | C8 | C9 | H7 | 179.0° | 53.8° |
| H8 | C10 | C11 | H10 | 68.6° | 53.6° |
| H8 | C10 | C11 | H11 | 50.6° | 174.2° |
| H9 | C10 | C11 | H10 | 51.8° | 66.5° |
| H9 | C10 | C11 | H11 | 171.0° | 54.0° |
| H12 | C17 | C18 | H13 | 0.5° | 0.0° |
| H14 | C20 | C21 | H15 | 1.3° | 0.1° |
| H17 | C26 | C27 | H18 | 0.1° | 0.0° |
| H18 | C27 | C28 | H19 | 0.6° | 0.0° |
| H22 | C33 | H23 | H24 | 120.0° | 120.0° |
