28L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| O21 | C22 | sing | 1.45Å | 1.45Å | |
| O21 | C20 | sing | 1.34Å | 1.36Å | |
| C19 | C20 | sing | 1.51Å | 1.38Å | |
| C19 | C18 | sing | 1.51Å | 1.42Å | |
| C20 | N23 | doub | 1.30Å | 1.35Å | |
| C18 | C17 | doub | 1.35Å | 1.37Å | |
| N23 | C24 | sing | 1.34Å | 1.46Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C31 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.51Å | 1.56Å | |
| C17 | C24 | sing | 1.48Å | 1.46Å | |
| C17 | C16 | sing | 1.48Å | 1.49Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | O25 | doub | 1.22Å | 1.25Å | |
| C27 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.42Å | 1.44Å | Aromatic |
| C32 | O33 | sing | 1.36Å | 1.39Å | |
| C32 | C14 | doub | 1.41Å | 1.43Å | Aromatic |
| C15 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | N12 | sing | 1.34Å | 1.37Å | Aromatic |
| O33 | C34 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| N12 | C11 | doub | 1.31Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.49Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | N3 | sing | 1.40Å | 1.38Å | |
| N3 | S2 | sing | 1.66Å | 1.60Å | |
| O36 | S2 | doub | 1.42Å | 1.44Å | |
| C1 | S2 | sing | 1.81Å | 1.76Å | |
| S2 | O35 | doub | 1.42Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C30 | 105.6° | 109.5° |
| C29 | C28 | C31 | 106.0° | 109.5° |
| C29 | C28 | C27 | 111.5° | 109.5° |
| C28 | C29 | H18 | 109.5° | 109.5° |
| C28 | C29 | H19 | 109.5° | 109.5° |
| C28 | C29 | H20 | 109.5° | 109.4° |
| C22 | O21 | C20 | 121.8° | 117.0° |
| O21 | C22 | H14 | 109.5° | 109.5° |
| O21 | C22 | H15 | 109.5° | 109.5° |
| O21 | C22 | H16 | 109.5° | 109.5° |
| O21 | C20 | C19 | 110.3° | 120.2° |
| O21 | C20 | N23 | 121.3° | 120.2° |
| C20 | C19 | C18 | 114.3° | 117.7° |
| C19 | C20 | N23 | 128.1° | 119.6° |
| C20 | C19 | H12 | 108.2° | 107.8° |
| C20 | C19 | H13 | 108.2° | 107.8° |
| C19 | C18 | C17 | 123.3° | 117.5° |
| C19 | C18 | H11 | 118.4° | 121.3° |
| C18 | C19 | H12 | 108.3° | 107.8° |
| C18 | C19 | H13 | 108.2° | 107.7° |
| C20 | N23 | C24 | 117.4° | 122.8° |
| C18 | C17 | C24 | 119.8° | 119.9° |
| C18 | C17 | C16 | 120.3° | 120.1° |
| C17 | C18 | H11 | 118.3° | 121.3° |
| N23 | C24 | C17 | 116.8° | 122.5° |
| N23 | C24 | O25 | 119.0° | 118.8° |
| C30 | C28 | C31 | 108.9° | 109.4° |
| C30 | C28 | C27 | 112.0° | 109.5° |
| C28 | C30 | H21 | 109.5° | 109.4° |
| C28 | C30 | H22 | 109.5° | 109.4° |
| C28 | C30 | H23 | 109.5° | 109.5° |
| C31 | C28 | C27 | 112.3° | 109.5° |
| C28 | C31 | H24 | 109.5° | 109.5° |
| C28 | C31 | H25 | 109.5° | 109.5° |
| C28 | C31 | H26 | 109.4° | 109.5° |
| C28 | C27 | C26 | 117.7° | 119.6° |
| C28 | C27 | C32 | 126.4° | 119.6° |
| C24 | C17 | C16 | 119.4° | 120.0° |
| C17 | C24 | O25 | 124.2° | 118.8° |
| C17 | C16 | C26 | 119.4° | 120.1° |
| C17 | C16 | C15 | 123.1° | 120.1° |
| C27 | C26 | C16 | 126.5° | 120.9° |
| C26 | C27 | C32 | 115.8° | 120.8° |
| C27 | C26 | H17 | 116.7° | 119.6° |
| C26 | C16 | C15 | 117.1° | 119.7° |
| C16 | C26 | H17 | 116.7° | 119.6° |
| C27 | C32 | O33 | 119.7° | 120.1° |
| C27 | C32 | C14 | 122.2° | 119.8° |
| C16 | C15 | C14 | 118.9° | 119.1° |
| C16 | C15 | N12 | 118.9° | 120.8° |
| O33 | C32 | C14 | 118.1° | 120.1° |
| C32 | O33 | C34 | 118.7° | 117.0° |
| C32 | C14 | C15 | 119.4° | 119.8° |
| C32 | C14 | C13 | 122.9° | 121.1° |
| C14 | C15 | N12 | 122.2° | 120.2° |
| C15 | C14 | C13 | 117.6° | 119.1° |
| C15 | N12 | C11 | 118.2° | 121.7° |
| O33 | C34 | H27 | 109.5° | 109.5° |
| O33 | C34 | H28 | 109.4° | 109.5° |
| O33 | C34 | H29 | 109.5° | 109.5° |
| C14 | C13 | C10 | 119.5° | 118.1° |
| C14 | C13 | H10 | 120.2° | 121.0° |
| N12 | C11 | C10 | 125.2° | 121.5° |
| N12 | C11 | H9 | 117.4° | 119.2° |
| C11 | C10 | C13 | 117.3° | 119.4° |
| C11 | C10 | C9 | 121.4° | 120.3° |
| C10 | C11 | H9 | 117.4° | 119.2° |
| C13 | C10 | C9 | 121.2° | 120.3° |
| C10 | C13 | H10 | 120.2° | 121.0° |
| C10 | C9 | C8 | 120.9° | 120.1° |
| C10 | C9 | C6 | 121.5° | 120.1° |
| C8 | C9 | C6 | 117.5° | 119.9° |
| C9 | C8 | C7 | 121.5° | 119.9° |
| C9 | C8 | H8 | 119.2° | 120.0° |
| C9 | C6 | C5 | 121.4° | 120.0° |
| C9 | C6 | H6 | 119.3° | 120.0° |
| C8 | C7 | C4 | 121.5° | 120.1° |
| C8 | C7 | H7 | 119.2° | 119.9° |
| C7 | C8 | H8 | 119.3° | 120.1° |
| C6 | C5 | C4 | 121.6° | 120.0° |
| C6 | C5 | H5 | 119.2° | 120.0° |
| C5 | C6 | H6 | 119.3° | 120.0° |
| C7 | C4 | C5 | 116.4° | 120.1° |
| C7 | C4 | N3 | 130.5° | 120.0° |
| C4 | C7 | H7 | 119.2° | 120.0° |
| C5 | C4 | N3 | 113.0° | 119.9° |
| C4 | C5 | H5 | 119.2° | 119.9° |
| C4 | N3 | S2 | 123.5° | 120.0° |
| C4 | N3 | H4 | 105.9° | 120.0° |
| N3 | S2 | O36 | 111.4° | 104.3° |
| N3 | S2 | C1 | 104.8° | 104.4° |
| N3 | S2 | O35 | 109.6° | 104.3° |
| S2 | N3 | H4 | 105.8° | 120.0° |
| O36 | S2 | C1 | 107.4° | 110.5° |
| O36 | S2 | O35 | 115.7° | 121.0° |
| C1 | S2 | O35 | 107.1° | 110.6° |
| S2 | C1 | H1 | 109.5° | 109.5° |
| S2 | C1 | H2 | 109.5° | 109.5° |
| S2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H12 | C19 | H13 | 109.5° | 107.6° |
| H14 | C22 | H15 | 109.5° | 109.4° |
| H14 | C22 | H16 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H18 | C29 | H20 | 109.4° | 109.4° |
| H19 | C29 | H20 | 109.5° | 109.4° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H23 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.4° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.5° |
| H24 | C31 | H26 | 109.5° | 109.5° |
| H25 | C31 | H26 | 109.5° | 109.4° |
| H27 | C34 | H28 | 109.5° | 109.5° |
| H27 | C34 | H29 | 109.5° | 109.5° |
| H28 | C34 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C30 | C31 | 113.5° | 120.0° |
| C29 | C28 | C30 | C27 | 121.6° | 120.0° |
| C29 | C28 | C31 | C27 | 122.1° | 120.0° |
| C29 | C28 | C27 | C26 | 8.1° | 124.6° |
| C29 | C28 | C27 | C32 | 167.9° | 55.4° |
| C28 | C29 | H18 | H19 | 120.0° | 120.1° |
| C28 | C29 | H18 | H20 | 120.0° | 119.9° |
| C28 | C29 | H19 | H20 | 120.0° | 119.9° |
| C29 | C28 | C30 | H21 | 180.0° | 60.0° |
| C29 | C28 | C30 | H22 | 60.0° | 60.0° |
| C29 | C28 | C30 | H23 | 60.0° | 180.0° |
| C29 | C28 | C31 | H24 | 180.0° | 170.2° |
| C29 | C28 | C31 | H25 | 60.0° | 50.2° |
| C29 | C28 | C31 | H26 | 60.0° | 69.7° |
| C22 | O21 | C20 | C19 | 178.4° | 180.0° |
| C22 | O21 | C20 | N23 | 4.9° | 0.0° |
| O21 | C22 | H14 | H15 | 120.0° | 120.0° |
| O21 | C22 | H14 | H16 | 120.0° | 120.0° |
| O21 | C22 | H15 | H16 | 120.0° | 120.0° |
| O21 | C20 | C19 | N23 | 172.9° | 180.0° |
| O21 | C20 | C19 | C18 | 167.5° | 180.0° |
| O21 | C20 | N23 | C24 | 168.1° | 180.0° |
| O21 | C20 | C19 | H12 | 46.8° | 58.0° |
| O21 | C20 | C19 | H13 | 71.7° | 57.9° |
| C20 | O21 | C22 | H14 | 180.0° | 179.9° |
| C20 | O21 | C22 | H15 | 60.0° | 60.0° |
| C20 | O21 | C22 | H16 | 60.0° | 60.0° |
| C20 | C19 | C18 | H12 | 120.7° | 122.1° |
| C20 | C19 | C18 | H13 | 120.7° | 122.1° |
| C20 | C19 | C18 | C17 | 1.2° | 0.0° |
| C19 | C20 | N23 | C24 | 4.1° | 0.0° |
| C20 | C19 | C18 | H11 | 178.8° | 180.0° |
| C20 | C19 | H12 | H13 | 117.8° | 116.0° |
| C18 | C19 | C20 | N23 | 5.4° | 0.0° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C19 | C18 | C17 | C24 | 3.5° | 0.0° |
| C19 | C18 | C17 | C16 | 168.3° | 179.7° |
| C18 | C19 | H12 | H13 | 117.8° | 115.9° |
| C20 | N23 | C24 | C17 | 1.2° | 0.0° |
| C20 | N23 | C24 | O25 | 177.3° | 179.7° |
| N23 | C20 | C19 | H12 | 126.1° | 122.1° |
| N23 | C20 | C19 | H13 | 115.3° | 122.0° |
| C18 | C17 | C24 | N23 | 4.7° | 0.0° |
| C18 | C17 | C24 | C16 | 171.9° | 179.7° |
| C18 | C17 | C16 | C26 | 58.5° | 75.3° |
| C18 | C17 | C24 | O25 | 173.7° | 179.7° |
| C18 | C17 | C16 | C15 | 114.9° | 104.7° |
| C17 | C18 | C19 | H12 | 122.0° | 122.1° |
| C17 | C18 | C19 | H13 | 119.5° | 122.1° |
| N23 | C24 | C17 | O25 | 178.5° | 179.7° |
| N23 | C24 | C17 | C16 | 167.2° | 179.7° |
| C30 | C28 | C31 | C27 | 124.6° | 120.0° |
| C30 | C28 | C27 | C26 | 110.1° | 4.6° |
| C30 | C28 | C27 | C32 | 73.9° | 175.4° |
| C30 | C28 | C29 | H18 | 180.0° | 59.9° |
| C30 | C28 | C29 | H19 | 60.0° | 180.0° |
| C30 | C28 | C29 | H20 | 60.0° | 60.0° |
| C28 | C30 | H21 | H22 | 120.0° | 119.9° |
| C28 | C30 | H21 | H23 | 120.0° | 120.0° |
| C28 | C30 | H22 | H23 | 120.0° | 120.0° |
| C30 | C28 | C31 | H24 | 66.7° | 69.8° |
| C30 | C28 | C31 | H25 | 173.3° | 170.2° |
| C30 | C28 | C31 | H26 | 53.3° | 50.3° |
| C31 | C28 | C27 | C26 | 127.0° | 115.4° |
| C31 | C28 | C27 | C32 | 49.0° | 64.6° |
| C31 | C28 | C29 | H18 | 64.5° | 60.0° |
| C31 | C28 | C29 | H19 | 175.5° | 60.1° |
| C31 | C28 | C29 | H20 | 55.5° | 180.0° |
| C31 | C28 | C30 | H21 | 66.5° | 60.0° |
| C31 | C28 | C30 | H22 | 53.6° | 180.0° |
| C31 | C28 | C30 | H23 | 173.5° | 60.0° |
| C28 | C31 | H24 | H25 | 120.0° | 120.0° |
| C28 | C31 | H24 | H26 | 120.0° | 120.0° |
| C28 | C31 | H25 | H26 | 120.0° | 120.0° |
| C28 | C27 | C26 | C32 | 176.4° | 180.0° |
| C28 | C27 | C26 | C16 | 174.4° | 180.0° |
| C28 | C27 | C32 | O33 | 8.6° | 0.0° |
| C28 | C27 | C32 | C14 | 173.2° | 180.0° |
| C28 | C27 | C26 | H17 | 5.6° | 0.1° |
| C27 | C28 | C29 | H18 | 58.1° | 179.9° |
| C27 | C28 | C29 | H19 | 61.9° | 60.0° |
| C27 | C28 | C29 | H20 | 178.1° | 60.0° |
| C27 | C28 | C30 | H21 | 58.4° | 180.0° |
| C27 | C28 | C30 | H22 | 178.4° | 60.0° |
| C27 | C28 | C30 | H23 | 61.6° | 60.0° |
| C27 | C28 | C31 | H24 | 57.9° | 50.2° |
| C27 | C28 | C31 | H25 | 62.1° | 69.8° |
| C27 | C28 | C31 | H26 | 177.9° | 170.2° |
| C24 | C17 | C16 | C26 | 129.6° | 105.0° |
| C24 | C17 | C16 | C15 | 57.0° | 75.1° |
| C24 | C17 | C18 | H11 | 176.5° | 180.0° |
| C17 | C16 | C26 | C27 | 172.5° | 180.0° |
| C17 | C16 | C26 | C15 | 173.8° | 180.0° |
| C16 | C17 | C24 | O25 | 14.4° | 0.0° |
| C17 | C16 | C15 | C14 | 172.2° | 180.0° |
| C17 | C16 | C15 | N12 | 5.9° | 0.3° |
| C16 | C17 | C18 | H11 | 11.7° | 0.3° |
| C17 | C16 | C26 | H17 | 7.5° | 0.0° |
| C27 | C26 | C16 | H17 | 180.0° | 179.9° |
| C27 | C26 | C16 | C15 | 1.3° | 0.0° |
| C26 | C27 | C32 | O33 | 175.4° | 180.0° |
| C26 | C27 | C32 | C14 | 2.8° | 0.0° |
| C16 | C26 | C27 | C32 | 2.0° | 0.0° |
| C26 | C16 | C15 | C14 | 1.3° | 0.1° |
| C26 | C16 | C15 | N12 | 179.4° | 179.7° |
| C27 | C32 | O33 | C14 | 178.3° | 180.0° |
| C27 | C32 | C14 | C15 | 3.0° | 0.0° |
| C27 | C32 | O33 | C34 | 102.1° | 103.3° |
| C27 | C32 | C14 | C13 | 174.0° | 180.0° |
| C32 | C27 | C26 | H17 | 178.0° | 179.9° |
| C16 | C15 | C14 | C32 | 2.2° | 0.1° |
| C16 | C15 | C14 | N12 | 178.0° | 179.7° |
| C16 | C15 | C14 | C13 | 175.0° | 180.0° |
| C16 | C15 | N12 | C11 | 177.0° | 180.0° |
| C15 | C16 | C26 | H17 | 178.7° | 179.9° |
| O33 | C32 | C14 | C15 | 175.2° | 180.0° |
| O33 | C32 | C14 | C13 | 7.7° | 0.0° |
| C32 | O33 | C34 | H27 | 180.0° | 171.8° |
| C32 | O33 | C34 | H28 | 60.0° | 51.8° |
| C32 | O33 | C34 | H29 | 60.0° | 68.2° |
| C32 | C14 | C15 | C13 | 177.2° | 180.0° |
| C32 | C14 | C15 | N12 | 179.8° | 179.7° |
| C14 | C32 | O33 | C34 | 76.2° | 76.6° |
| C32 | C14 | C13 | C10 | 179.0° | 180.0° |
| C32 | C14 | C13 | H10 | 0.9° | 0.0° |
| C14 | C15 | N12 | C11 | 1.1° | 0.3° |
| C15 | C14 | C13 | C10 | 1.9° | 0.0° |
| C15 | C14 | C13 | H10 | 178.1° | 180.0° |
| N12 | C15 | C14 | C13 | 3.0° | 0.3° |
| C15 | N12 | C11 | C10 | 2.1° | 0.0° |
| C15 | N12 | C11 | H9 | 177.9° | 180.0° |
| O33 | C34 | H27 | H28 | 120.0° | 120.0° |
| O33 | C34 | H27 | H29 | 120.0° | 120.0° |
| O33 | C34 | H28 | H29 | 120.0° | 120.0° |
| C14 | C13 | C10 | C11 | 0.9° | 0.3° |
| C14 | C13 | C10 | H10 | 180.0° | 180.0° |
| C14 | C13 | C10 | C9 | 176.7° | 180.0° |
| N12 | C11 | C10 | H9 | 180.0° | 180.0° |
| N12 | C11 | C10 | C13 | 3.1° | 0.3° |
| N12 | C11 | C10 | C9 | 178.9° | 180.0° |
| C11 | C10 | C13 | C9 | 175.8° | 179.7° |
| C11 | C10 | C9 | C8 | 10.8° | 0.0° |
| C11 | C10 | C9 | C6 | 174.4° | 179.7° |
| C11 | C10 | C13 | H10 | 179.1° | 179.7° |
| C13 | C10 | C9 | C8 | 164.9° | 179.7° |
| C13 | C10 | C9 | C6 | 9.9° | 0.5° |
| C13 | C10 | C11 | H9 | 176.9° | 179.7° |
| C10 | C9 | C8 | C6 | 175.0° | 179.7° |
| C10 | C9 | C8 | C7 | 172.8° | 179.9° |
| C10 | C9 | C6 | C5 | 174.9° | 180.0° |
| C10 | C9 | C6 | H6 | 5.1° | 0.0° |
| C10 | C9 | C8 | H8 | 7.2° | 0.0° |
| C9 | C10 | C11 | H9 | 1.1° | 0.0° |
| C9 | C10 | C13 | H10 | 3.3° | 0.0° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C8 | C9 | C6 | C5 | 0.1° | 0.2° |
| C9 | C8 | C7 | C4 | 1.2° | 0.1° |
| C8 | C9 | C6 | H6 | 179.9° | 179.7° |
| C9 | C8 | C7 | H7 | 178.8° | 180.0° |
| C6 | C9 | C8 | C7 | 2.1° | 0.3° |
| C9 | C6 | C5 | H6 | 180.0° | 180.0° |
| C9 | C6 | C5 | C4 | 3.1° | 0.1° |
| C9 | C6 | C5 | H5 | 176.9° | 180.0° |
| C6 | C9 | C8 | H8 | 177.8° | 179.8° |
| C8 | C7 | C4 | H7 | 180.0° | 179.9° |
| C8 | C7 | C4 | C5 | 1.8° | 0.2° |
| C8 | C7 | C4 | N3 | 174.3° | 179.9° |
| C6 | C5 | C4 | C7 | 3.9° | 0.3° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | N3 | 172.9° | 180.0° |
| C7 | C4 | C5 | N3 | 176.8° | 179.7° |
| C7 | C4 | N3 | S2 | 1.3° | 46.4° |
| C7 | C4 | N3 | H4 | 123.3° | 133.6° |
| C7 | C4 | C5 | H5 | 176.1° | 179.7° |
| C4 | C7 | C8 | H8 | 178.8° | 180.0° |
| C5 | C4 | N3 | S2 | 177.6° | 133.9° |
| C5 | C4 | N3 | H4 | 60.5° | 46.1° |
| C4 | C5 | C6 | H6 | 176.9° | 180.0° |
| C5 | C4 | C7 | H7 | 178.2° | 179.7° |
| C4 | N3 | S2 | H4 | 122.0° | 180.0° |
| C4 | N3 | S2 | O36 | 45.6° | 54.3° |
| C4 | N3 | S2 | C1 | 70.3° | 61.7° |
| C4 | N3 | S2 | O35 | 175.0° | 177.8° |
| N3 | C4 | C5 | H5 | 7.1° | 0.0° |
| N3 | C4 | C7 | H7 | 5.7° | 0.1° |
| N3 | S2 | O36 | C1 | 114.2° | 111.7° |
| N3 | S2 | O36 | O35 | 126.1° | 116.8° |
| N3 | S2 | C1 | O35 | 116.4° | 111.6° |
| N3 | S2 | C1 | H1 | 180.0° | 57.8° |
| N3 | S2 | C1 | H2 | 60.0° | 62.2° |
| N3 | S2 | C1 | H3 | 60.0° | 177.9° |
| O36 | S2 | C1 | O35 | 125.0° | 136.7° |
| O36 | S2 | C1 | H1 | 61.4° | 169.5° |
| O36 | S2 | C1 | H2 | 58.6° | 49.5° |
| O36 | S2 | C1 | H3 | 178.5° | 70.5° |
| O36 | S2 | N3 | H4 | 167.5° | 125.6° |
| S2 | C1 | H1 | H2 | 120.0° | 120.0° |
| S2 | C1 | H1 | H3 | 120.0° | 120.0° |
| S2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | S2 | N3 | H4 | 51.7° | 118.3° |
| O35 | S2 | C1 | H1 | 63.5° | 53.8° |
| O35 | S2 | C1 | H2 | 176.4° | 173.8° |
| O35 | S2 | C1 | H3 | 56.5° | 66.3° |
| O35 | S2 | N3 | H4 | 63.0° | 2.2° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 3.1° | 0.0° |
| H7 | C7 | C8 | H8 | 1.2° | 0.1° |
| H11 | C18 | C19 | H12 | 58.0° | 57.9° |
| H11 | C18 | C19 | H13 | 60.5° | 57.9° |
| H14 | C22 | H15 | H16 | 120.0° | 120.0° |
| H18 | C29 | H19 | H20 | 120.0° | 120.0° |
| H21 | C30 | H22 | H23 | 120.0° | 120.0° |
| H24 | C31 | H25 | H26 | 120.0° | 120.0° |
| H27 | C34 | H28 | H29 | 120.0° | 120.0° |
