2AY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | doub | 1.35Å | 1.36Å | |
| C29 | C30 | sing | 1.40Å | 1.43Å | |
| C28 | N26 | sing | 1.36Å | 1.36Å | |
| C30 | C23 | doub | 1.39Å | 1.38Å | |
| N26 | C24 | sing | 1.35Å | 1.41Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | C34 | sing | 1.53Å | 1.54Å | |
| C31 | C19 | sing | 1.51Å | 1.56Å | |
| C23 | C24 | sing | 1.42Å | 1.47Å | |
| C23 | C21 | sing | 1.48Å | 1.49Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | O25 | doub | 1.22Å | 1.23Å | |
| C19 | C18 | sing | 1.39Å | 1.43Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | O35 | sing | 1.36Å | 1.38Å | |
| C18 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| O35 | C36 | sing | 1.43Å | 1.43Å | |
| C17 | C11 | sing | 1.48Å | 1.48Å | |
| C11 | O12 | sing | 1.35Å | 1.39Å | |
| C11 | C10 | doub | 1.36Å | 1.34Å | |
| O12 | C13 | sing | 1.35Å | 1.40Å | |
| C10 | C9 | sing | 1.46Å | 1.45Å | |
| C13 | O14 | doub | 1.22Å | 1.21Å | |
| C13 | C15 | sing | 1.47Å | 1.47Å | |
| C9 | C15 | doub | 1.42Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.37Å | 1.38Å | Aromatic |
| C16 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.44Å | |
| N1 | S2 | sing | 1.66Å | 1.63Å | |
| O4 | S2 | doub | 1.42Å | 1.43Å | |
| C5 | S2 | sing | 1.81Å | 1.75Å | |
| S2 | O3 | doub | 1.42Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| N26 | H11 | sing | 0.97Å | 1.00Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C33 | 105.9° | 109.4° |
| C32 | C31 | C34 | 106.2° | 109.5° |
| C32 | C31 | C19 | 111.9° | 109.5° |
| C31 | C32 | H15 | 109.5° | 109.4° |
| C31 | C32 | H16 | 109.5° | 109.4° |
| C31 | C32 | H17 | 109.5° | 109.5° |
| C28 | C29 | C30 | 118.8° | 120.1° |
| C29 | C28 | N26 | 120.7° | 121.1° |
| C29 | C28 | H12 | 119.6° | 119.4° |
| C28 | C29 | H13 | 120.6° | 120.0° |
| C29 | C30 | C23 | 121.4° | 119.0° |
| C30 | C29 | H13 | 120.6° | 119.9° |
| C29 | C30 | H14 | 119.3° | 120.5° |
| C28 | N26 | C24 | 124.8° | 120.9° |
| C28 | N26 | H11 | 117.6° | 119.5° |
| N26 | C28 | H12 | 119.7° | 119.5° |
| C30 | C23 | C24 | 120.1° | 118.9° |
| C30 | C23 | C21 | 121.7° | 120.5° |
| C23 | C30 | H14 | 119.3° | 120.5° |
| N26 | C24 | C23 | 114.2° | 119.9° |
| N26 | C24 | O25 | 120.1° | 120.0° |
| C24 | N26 | H11 | 117.6° | 119.5° |
| C33 | C31 | C34 | 108.9° | 109.5° |
| C33 | C31 | C19 | 111.6° | 109.5° |
| C31 | C33 | H18 | 109.5° | 109.5° |
| C31 | C33 | H19 | 109.4° | 109.5° |
| C31 | C33 | H20 | 109.5° | 109.4° |
| C34 | C31 | C19 | 112.0° | 109.5° |
| C31 | C34 | H21 | 109.5° | 109.5° |
| C31 | C34 | H22 | 109.5° | 109.5° |
| C31 | C34 | H23 | 109.5° | 109.5° |
| C31 | C19 | C20 | 118.2° | 119.9° |
| C31 | C19 | C18 | 124.8° | 119.9° |
| C24 | C23 | C21 | 118.2° | 120.6° |
| C23 | C24 | O25 | 125.8° | 120.0° |
| C23 | C21 | C20 | 120.6° | 120.0° |
| C23 | C21 | C22 | 119.8° | 120.0° |
| C19 | C20 | C21 | 122.0° | 120.3° |
| C20 | C19 | C18 | 117.0° | 120.2° |
| C19 | C20 | H9 | 119.0° | 119.8° |
| C20 | C21 | C22 | 119.6° | 120.0° |
| C21 | C20 | H9 | 119.0° | 119.9° |
| C19 | C18 | O35 | 118.6° | 120.0° |
| C19 | C18 | C17 | 121.6° | 120.0° |
| C21 | C22 | C17 | 121.6° | 119.7° |
| C21 | C22 | H10 | 119.2° | 120.1° |
| O35 | C18 | C17 | 119.7° | 120.0° |
| C18 | O35 | C36 | 118.5° | 117.0° |
| C18 | C17 | C22 | 118.2° | 119.8° |
| C18 | C17 | C11 | 124.2° | 120.1° |
| C22 | C17 | C11 | 117.5° | 120.1° |
| C17 | C22 | H10 | 119.2° | 120.2° |
| O35 | C36 | H24 | 109.5° | 109.5° |
| O35 | C36 | H25 | 109.4° | 109.5° |
| O35 | C36 | H26 | 109.5° | 109.5° |
| C17 | C11 | O12 | 110.0° | 119.1° |
| C17 | C11 | C10 | 128.4° | 119.2° |
| O12 | C11 | C10 | 120.4° | 121.8° |
| C11 | O12 | C13 | 123.3° | 117.8° |
| C11 | C10 | C9 | 121.3° | 118.7° |
| C11 | C10 | H7 | 119.4° | 120.6° |
| O12 | C13 | O14 | 116.3° | 121.6° |
| O12 | C13 | C15 | 116.6° | 116.8° |
| C10 | C9 | C15 | 118.8° | 117.4° |
| C10 | C9 | C8 | 122.6° | 122.8° |
| C9 | C10 | H7 | 119.4° | 120.7° |
| O14 | C13 | C15 | 127.0° | 121.6° |
| C13 | C15 | C9 | 119.5° | 116.9° |
| C13 | C15 | C16 | 121.0° | 123.1° |
| C15 | C9 | C8 | 118.7° | 119.8° |
| C9 | C15 | C16 | 119.5° | 120.0° |
| C9 | C8 | C7 | 121.3° | 119.5° |
| C9 | C8 | H6 | 119.4° | 120.3° |
| C15 | C16 | C6 | 120.6° | 119.1° |
| C15 | C16 | H8 | 119.7° | 120.4° |
| C8 | C7 | C6 | 120.3° | 121.0° |
| C8 | C7 | H5 | 119.8° | 119.5° |
| C7 | C8 | H6 | 119.3° | 120.2° |
| C16 | C6 | C7 | 119.5° | 120.6° |
| C16 | C6 | N1 | 123.0° | 119.6° |
| C6 | C16 | H8 | 119.7° | 120.5° |
| C7 | C6 | N1 | 117.4° | 119.7° |
| C6 | C7 | H5 | 119.8° | 119.5° |
| C6 | N1 | S2 | 130.8° | 120.0° |
| C6 | N1 | H1 | 103.9° | 120.0° |
| N1 | S2 | O4 | 107.9° | 104.3° |
| N1 | S2 | C5 | 106.7° | 104.4° |
| N1 | S2 | O3 | 105.9° | 104.3° |
| S2 | N1 | H1 | 103.9° | 120.0° |
| O4 | S2 | C5 | 108.8° | 110.6° |
| O4 | S2 | O3 | 119.0° | 121.1° |
| C5 | S2 | O3 | 107.9° | 110.5° |
| S2 | C5 | H2 | 109.5° | 109.5° |
| S2 | C5 | H3 | 109.5° | 109.4° |
| S2 | C5 | H4 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H4 | 109.4° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H15 | C32 | H16 | 109.5° | 109.5° |
| H15 | C32 | H17 | 109.5° | 109.5° |
| H16 | C32 | H17 | 109.5° | 109.5° |
| H18 | C33 | H19 | 109.5° | 109.5° |
| H18 | C33 | H20 | 109.4° | 109.5° |
| H19 | C33 | H20 | 109.5° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | H23 | 109.4° | 109.5° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.5° | 109.4° |
| H24 | C36 | H26 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C33 | C34 | 113.8° | 120.0° |
| C32 | C31 | C33 | C19 | 122.0° | 120.0° |
| C32 | C31 | C34 | C19 | 122.4° | 120.0° |
| C32 | C31 | C19 | C20 | 9.1° | 114.7° |
| C32 | C31 | C19 | C18 | 171.2° | 65.3° |
| C31 | C32 | H15 | H16 | 120.0° | 119.9° |
| C31 | C32 | H15 | H17 | 120.0° | 120.0° |
| C31 | C32 | H16 | H17 | 120.0° | 120.0° |
| C32 | C31 | C33 | H18 | 180.0° | 60.0° |
| C32 | C31 | C33 | H19 | 60.0° | 60.0° |
| C32 | C31 | C33 | H20 | 60.0° | 180.0° |
| C32 | C31 | C34 | H21 | 180.0° | 180.0° |
| C32 | C31 | C34 | H22 | 60.0° | 60.0° |
| C32 | C31 | C34 | H23 | 60.0° | 60.0° |
| C28 | C29 | C30 | H13 | 180.0° | 179.8° |
| C29 | C28 | N26 | H12 | 180.0° | 180.0° |
| C28 | C29 | C30 | C23 | 0.8° | 0.5° |
| C29 | C28 | N26 | C24 | 0.0° | 0.0° |
| C29 | C28 | N26 | H11 | 180.0° | 180.0° |
| C28 | C29 | C30 | H14 | 179.2° | 180.0° |
| C30 | C29 | C28 | N26 | 0.3° | 0.3° |
| C29 | C30 | C23 | H14 | 180.0° | 179.5° |
| C29 | C30 | C23 | C24 | 0.9° | 0.5° |
| C29 | C30 | C23 | C21 | 179.3° | 179.8° |
| C30 | C29 | C28 | H12 | 179.7° | 179.7° |
| C28 | N26 | C24 | H11 | 180.0° | 179.9° |
| C28 | N26 | C24 | C23 | 0.2° | 0.0° |
| C28 | N26 | C24 | O25 | 178.9° | 180.0° |
| N26 | C28 | C29 | H13 | 179.6° | 179.9° |
| C30 | C23 | C24 | N26 | 0.6° | 0.3° |
| C30 | C23 | C24 | C21 | 179.8° | 179.7° |
| C30 | C23 | C21 | C20 | 50.5° | 64.7° |
| C30 | C23 | C24 | O25 | 178.4° | 179.7° |
| C30 | C23 | C21 | C22 | 130.0° | 115.0° |
| C23 | C30 | C29 | H13 | 179.2° | 179.7° |
| N26 | C24 | C23 | O25 | 179.0° | 180.0° |
| N26 | C24 | C23 | C21 | 179.6° | 180.0° |
| C24 | N26 | C28 | H12 | 180.0° | 180.0° |
| C33 | C31 | C34 | C19 | 123.9° | 120.0° |
| C33 | C31 | C19 | C20 | 109.4° | 5.2° |
| C33 | C31 | C19 | C18 | 70.2° | 174.8° |
| C33 | C31 | C32 | H15 | 180.0° | 43.3° |
| C33 | C31 | C32 | H16 | 60.0° | 163.3° |
| C33 | C31 | C32 | H17 | 60.0° | 76.7° |
| C31 | C33 | H18 | H19 | 120.0° | 120.0° |
| C31 | C33 | H18 | H20 | 120.0° | 120.0° |
| C31 | C33 | H19 | H20 | 120.0° | 120.0° |
| C33 | C31 | C34 | H21 | 66.3° | 60.0° |
| C33 | C31 | C34 | H22 | 173.7° | 180.0° |
| C33 | C31 | C34 | H23 | 53.7° | 60.0° |
| C34 | C31 | C19 | C20 | 128.2° | 125.2° |
| C34 | C31 | C19 | C18 | 52.1° | 54.8° |
| C34 | C31 | C32 | H15 | 64.3° | 76.7° |
| C34 | C31 | C32 | H16 | 175.7° | 43.3° |
| C34 | C31 | C32 | H17 | 55.7° | 163.3° |
| C34 | C31 | C33 | H18 | 66.2° | 60.0° |
| C34 | C31 | C33 | H19 | 53.8° | 180.0° |
| C34 | C31 | C33 | H20 | 173.8° | 60.0° |
| C31 | C34 | H21 | H22 | 120.0° | 120.0° |
| C31 | C34 | H21 | H23 | 120.0° | 120.0° |
| C31 | C34 | H22 | H23 | 120.0° | 120.0° |
| C31 | C19 | C20 | C18 | 179.7° | 180.0° |
| C31 | C19 | C20 | C21 | 179.8° | 180.0° |
| C31 | C19 | C18 | O35 | 4.3° | 0.0° |
| C31 | C19 | C18 | C17 | 179.9° | 180.0° |
| C31 | C19 | C20 | H9 | 0.2° | 0.0° |
| C19 | C31 | C32 | H15 | 58.2° | 163.3° |
| C19 | C31 | C32 | H16 | 61.9° | 76.8° |
| C19 | C31 | C32 | H17 | 178.2° | 43.3° |
| C19 | C31 | C33 | H18 | 58.0° | 180.0° |
| C19 | C31 | C33 | H19 | 177.9° | 60.0° |
| C19 | C31 | C33 | H20 | 62.0° | 60.0° |
| C19 | C31 | C34 | H21 | 57.6° | 60.0° |
| C19 | C31 | C34 | H22 | 62.4° | 60.0° |
| C19 | C31 | C34 | H23 | 177.6° | 180.0° |
| C24 | C23 | C21 | C20 | 129.8° | 115.0° |
| C24 | C23 | C21 | C22 | 49.7° | 65.3° |
| C23 | C24 | N26 | H11 | 179.8° | 180.0° |
| C24 | C23 | C30 | H14 | 179.0° | 180.0° |
| C23 | C21 | C20 | C19 | 179.7° | 180.0° |
| C23 | C21 | C20 | C22 | 179.5° | 179.8° |
| C21 | C23 | C24 | O25 | 1.4° | 0.0° |
| C23 | C21 | C22 | C17 | 179.0° | 179.7° |
| C23 | C21 | C20 | H9 | 0.3° | 0.0° |
| C23 | C21 | C22 | H10 | 1.0° | 0.2° |
| C21 | C23 | C30 | H14 | 0.7° | 0.3° |
| C19 | C20 | C21 | H9 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C20 | C19 | C18 | O35 | 176.1° | 180.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C21 | C20 | C19 | C18 | 0.5° | 0.0° |
| C20 | C21 | C22 | C17 | 0.6° | 0.5° |
| C20 | C21 | C22 | H10 | 179.4° | 180.0° |
| O25 | C24 | N26 | H11 | 1.1° | 0.0° |
| C19 | C18 | O35 | C17 | 176.0° | 180.0° |
| C19 | C18 | C17 | C22 | 0.5° | 0.3° |
| C19 | C18 | O35 | C36 | 97.6° | 101.2° |
| C19 | C18 | C17 | C11 | 178.9° | 180.0° |
| C18 | C19 | C20 | H9 | 179.5° | 180.0° |
| C21 | C22 | C17 | C18 | 0.9° | 0.6° |
| C21 | C22 | C17 | H10 | 180.0° | 179.5° |
| C21 | C22 | C17 | C11 | 179.4° | 179.7° |
| C22 | C21 | C20 | H9 | 179.8° | 179.8° |
| O35 | C18 | C17 | C22 | 175.4° | 179.8° |
| O35 | C18 | C17 | C11 | 3.0° | 0.0° |
| C18 | O35 | C36 | H24 | 180.0° | 68.5° |
| C18 | O35 | C36 | H25 | 60.0° | 51.4° |
| C18 | O35 | C36 | H26 | 60.0° | 171.4° |
| C18 | C17 | C22 | C11 | 178.5° | 179.7° |
| C17 | C18 | O35 | C36 | 86.5° | 78.8° |
| C18 | C17 | C11 | O12 | 144.0° | 56.1° |
| C18 | C17 | C11 | C10 | 48.9° | 123.8° |
| C18 | C17 | C22 | H10 | 179.1° | 180.0° |
| C22 | C17 | C11 | O12 | 37.6° | 124.2° |
| C22 | C17 | C11 | C10 | 129.5° | 55.9° |
| O35 | C36 | H24 | H25 | 120.0° | 120.0° |
| O35 | C36 | H24 | H26 | 120.0° | 120.0° |
| O35 | C36 | H25 | H26 | 120.0° | 120.0° |
| C17 | C11 | O12 | C10 | 168.3° | 179.9° |
| C17 | C11 | O12 | C13 | 165.2° | 152.0° |
| C17 | C11 | C10 | C9 | 164.0° | 178.6° |
| C17 | C11 | C10 | H7 | 16.0° | 1.4° |
| C11 | C17 | C22 | H10 | 0.6° | 0.3° |
| O12 | C11 | C10 | C9 | 1.9° | 1.4° |
| C11 | O12 | C13 | O14 | 174.2° | 140.7° |
| C11 | O12 | C13 | C15 | 2.9° | 39.3° |
| O12 | C11 | C10 | H7 | 178.1° | 178.6° |
| C10 | C11 | O12 | C13 | 3.1° | 28.0° |
| C11 | C10 | C9 | H7 | 180.0° | 180.0° |
| C11 | C10 | C9 | C15 | 0.8° | 12.3° |
| C11 | C10 | C9 | C8 | 180.0° | 167.7° |
| O12 | C13 | O14 | C15 | 176.7° | 180.0° |
| O12 | C13 | C15 | C9 | 1.6° | 24.7° |
| O12 | C13 | C15 | C16 | 176.9° | 155.1° |
| C10 | C9 | C15 | C13 | 0.6° | 0.6° |
| C10 | C9 | C15 | C8 | 179.3° | 179.9° |
| C10 | C9 | C15 | C16 | 178.0° | 179.6° |
| C10 | C9 | C8 | C7 | 177.8° | 179.9° |
| C10 | C9 | C8 | H6 | 2.2° | 0.1° |
| O14 | C13 | C15 | C9 | 175.1° | 155.3° |
| O14 | C13 | C15 | C16 | 6.4° | 24.9° |
| C13 | C15 | C9 | C16 | 178.6° | 179.8° |
| C13 | C15 | C9 | C8 | 179.9° | 179.3° |
| C13 | C15 | C16 | C6 | 178.7° | 179.2° |
| C13 | C15 | C16 | H8 | 1.2° | 0.4° |
| C15 | C9 | C8 | C7 | 1.4° | 0.2° |
| C9 | C15 | C16 | C6 | 0.2° | 0.6° |
| C15 | C9 | C8 | H6 | 178.5° | 179.9° |
| C15 | C9 | C10 | H7 | 179.2° | 167.7° |
| C9 | C15 | C16 | H8 | 179.8° | 179.8° |
| C8 | C9 | C15 | C16 | 1.3° | 0.5° |
| C9 | C8 | C7 | H6 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C9 | C8 | C7 | H5 | 179.6° | 180.0° |
| C8 | C9 | C10 | H7 | 0.0° | 12.3° |
| C15 | C16 | C6 | H8 | 180.0° | 179.6° |
| C15 | C16 | C6 | C7 | 0.8° | 0.4° |
| C15 | C16 | C6 | N1 | 178.1° | 179.7° |
| C8 | C7 | C6 | C16 | 0.7° | 0.1° |
| C8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | N1 | 178.1° | 180.0° |
| C16 | C6 | C7 | N1 | 177.4° | 179.8° |
| C16 | C6 | N1 | S2 | 29.0° | 135.3° |
| C16 | C6 | N1 | H1 | 93.7° | 45.1° |
| C16 | C6 | C7 | H5 | 179.3° | 179.9° |
| C7 | C6 | N1 | S2 | 153.7° | 44.9° |
| C7 | C6 | N1 | H1 | 83.5° | 134.7° |
| C6 | C7 | C8 | H6 | 179.6° | 179.9° |
| C7 | C6 | C16 | H8 | 179.2° | 180.0° |
| C6 | N1 | S2 | H1 | 122.7° | 179.6° |
| C6 | N1 | S2 | O4 | 20.2° | 50.7° |
| C6 | N1 | S2 | C5 | 96.6° | 65.3° |
| C6 | N1 | S2 | O3 | 148.6° | 178.6° |
| N1 | C6 | C7 | H5 | 1.9° | 0.0° |
| N1 | C6 | C16 | H8 | 2.0° | 0.2° |
| N1 | S2 | O4 | C5 | 115.4° | 111.7° |
| N1 | S2 | O4 | O3 | 120.6° | 116.7° |
| N1 | S2 | C5 | O3 | 113.4° | 111.6° |
| N1 | S2 | C5 | H2 | 180.0° | 60.0° |
| N1 | S2 | C5 | H3 | 60.0° | 180.0° |
| N1 | S2 | C5 | H4 | 60.0° | 60.0° |
| O4 | S2 | C5 | O3 | 130.4° | 136.8° |
| O4 | S2 | N1 | H1 | 142.9° | 128.9° |
| O4 | S2 | C5 | H2 | 63.8° | 171.6° |
| O4 | S2 | C5 | H3 | 56.2° | 68.4° |
| O4 | S2 | C5 | H4 | 176.2° | 51.6° |
| C5 | S2 | N1 | H1 | 26.2° | 115.1° |
| S2 | C5 | H2 | H3 | 120.0° | 119.9° |
| S2 | C5 | H2 | H4 | 120.0° | 120.0° |
| S2 | C5 | H3 | H4 | 120.0° | 120.0° |
| O3 | S2 | N1 | H1 | 88.7° | 1.0° |
| O3 | S2 | C5 | H2 | 66.5° | 51.6° |
| O3 | S2 | C5 | H3 | 173.4° | 68.4° |
| O3 | S2 | C5 | H4 | 53.4° | 171.6° |
| H2 | C5 | H3 | H4 | 119.9° | 120.1° |
| H5 | C7 | C8 | H6 | 0.5° | 0.0° |
| H11 | N26 | C28 | H12 | 0.0° | 0.0° |
| H12 | C28 | C29 | H13 | 0.4° | 0.1° |
| H13 | C29 | C30 | H14 | 0.8° | 0.2° |
| H15 | C32 | H16 | H17 | 120.0° | 120.1° |
| H18 | C33 | H19 | H20 | 120.0° | 120.0° |
| H21 | C34 | H22 | H23 | 120.0° | 120.0° |
| H24 | C36 | H25 | H26 | 120.0° | 120.0° |
