940
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | N1 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | sing | 1.54Å | 1.52Å | |
| N1 | C15 | sing | 1.40Å | 1.35Å | |
| O4 | C27 | doub | 1.21Å | 1.25Å | |
| O3 | C27 | sing | 1.34Å | 1.25Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C17 | O1 | sing | 1.43Å | 1.43Å | |
| C27 | C22 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C16 | sing | 1.36Å | 1.37Å | |
| C16 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.48Å | |
| C22 | O2 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | sing | 1.48Å | 1.49Å | |
| C13 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C30 | N2 | sing | 1.39Å | 1.35Å | |
| C9 | C5 | sing | 1.48Å | 1.49Å | |
| N2 | S | sing | 1.66Å | 1.60Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| O2 | C23 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C23 | sing | 1.53Å | 1.52Å | |
| O5 | S | doub | 1.42Å | 1.48Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| S | C31 | sing | 1.81Å | 1.66Å | |
| S | O6 | doub | 1.42Å | 1.48Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C31 | H1 | sing | 1.09Å | 1.10Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C29 | H5 | sing | 1.09Å | 1.10Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| C14 | H33 | sing | 1.08Å | 1.08Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| N1 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C18 | C17 | 111.9° | 107.4° |
| C18 | N1 | C15 | 120.3° | 117.6° |
| N1 | C18 | H36 | 108.9° | 109.9° |
| N1 | C18 | H37 | 108.8° | 109.8° |
| C18 | N1 | H38 | 106.7° | 121.2° |
| C18 | C17 | O1 | 109.3° | 108.8° |
| C18 | C17 | H34 | 109.5° | 109.6° |
| C18 | C17 | H35 | 109.5° | 109.7° |
| C17 | C18 | H36 | 108.8° | 110.3° |
| C17 | C18 | H37 | 108.9° | 109.5° |
| N1 | C15 | C14 | 119.8° | 120.0° |
| N1 | C15 | C16 | 120.2° | 119.8° |
| C15 | N1 | H38 | 106.7° | 121.2° |
| O4 | C27 | O3 | 123.0° | 120.0° |
| O4 | C27 | C22 | 118.5° | 120.0° |
| O3 | C27 | C22 | 118.5° | 120.0° |
| C27 | O3 | H30 | 109.5° | 117.0° |
| C8 | C7 | C6 | 119.9° | 120.0° |
| C8 | C7 | C2 | 120.0° | 119.9° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.4° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| C17 | O1 | C16 | 120.1° | 117.8° |
| O1 | C17 | H34 | 109.5° | 109.6° |
| O1 | C17 | H35 | 109.5° | 109.6° |
| C27 | C22 | C21 | 109.5° | 109.4° |
| C27 | C22 | O2 | 109.5° | 109.5° |
| C27 | C22 | H20 | 109.0° | 109.4° |
| C14 | C15 | C16 | 120.0° | 120.3° |
| C15 | C14 | C13 | 120.1° | 119.8° |
| C15 | C14 | H33 | 119.9° | 120.1° |
| C15 | C16 | O1 | 120.2° | 120.7° |
| C15 | C16 | C19 | 120.0° | 119.8° |
| C14 | C13 | C12 | 120.1° | 120.1° |
| C14 | C13 | C20 | 119.9° | 119.8° |
| C13 | C14 | H33 | 120.0° | 120.1° |
| C7 | C6 | C5 | 120.0° | 119.9° |
| C6 | C7 | C2 | 120.1° | 120.1° |
| C7 | C6 | H16 | 120.0° | 120.1° |
| C6 | C5 | C9 | 120.0° | 120.1° |
| C6 | C5 | C4 | 120.0° | 119.7° |
| C5 | C6 | H16 | 120.0° | 120.0° |
| C7 | C2 | C1 | 120.0° | 119.9° |
| C7 | C2 | C3 | 120.1° | 120.3° |
| O1 | C16 | C19 | 119.8° | 119.5° |
| C16 | C19 | C20 | 120.1° | 120.2° |
| C16 | C19 | H32 | 120.0° | 119.9° |
| C21 | C22 | O2 | 109.5° | 109.5° |
| C22 | C21 | C12 | 120.0° | 119.9° |
| C22 | C21 | C28 | 120.0° | 119.9° |
| C21 | C22 | H20 | 109.3° | 109.5° |
| C22 | O2 | C23 | 111.8° | 114.0° |
| O2 | C22 | H20 | 110.0° | 109.5° |
| C12 | C13 | C20 | 120.0° | 120.1° |
| C13 | C12 | C21 | 120.0° | 120.0° |
| C13 | C12 | C10 | 120.1° | 119.9° |
| C13 | C20 | C19 | 119.9° | 120.2° |
| C13 | C20 | H31 | 120.0° | 119.9° |
| C12 | C21 | C28 | 120.0° | 120.2° |
| C21 | C12 | C10 | 120.0° | 120.0° |
| C21 | C28 | C29 | 120.0° | 119.9° |
| C21 | C28 | C30 | 120.0° | 120.2° |
| C12 | C10 | C11 | 120.0° | 120.1° |
| C12 | C10 | C9 | 120.1° | 119.8° |
| C29 | C28 | C30 | 120.0° | 119.9° |
| C28 | C29 | H5 | 109.5° | 109.5° |
| C28 | C29 | H6 | 109.5° | 109.5° |
| C28 | C29 | H7 | 109.5° | 109.4° |
| C28 | C30 | C9 | 120.0° | 120.0° |
| C28 | C30 | N2 | 120.0° | 120.0° |
| C11 | C10 | C9 | 120.0° | 120.1° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.5° |
| C10 | C9 | C30 | 120.0° | 119.8° |
| C10 | C9 | C5 | 120.0° | 120.1° |
| C9 | C30 | N2 | 120.0° | 120.0° |
| C30 | C9 | C5 | 120.0° | 120.1° |
| C30 | N2 | S | 120.0° | 120.0° |
| C30 | N2 | H4 | 106.8° | 120.0° |
| C9 | C5 | C4 | 120.0° | 120.1° |
| N2 | S | O5 | 109.5° | 104.3° |
| N2 | S | C31 | 109.5° | 104.5° |
| N2 | S | O6 | 109.4° | 104.3° |
| S | N2 | H4 | 106.8° | 120.0° |
| C5 | C4 | C3 | 119.9° | 119.9° |
| C5 | C4 | H8 | 120.0° | 120.1° |
| O2 | C23 | C26 | 108.5° | 109.4° |
| O2 | C23 | C25 | 108.9° | 109.5° |
| O2 | C23 | C24 | 108.8° | 109.5° |
| C1 | C2 | C3 | 119.9° | 119.9° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.0° | 120.1° |
| C2 | C3 | H9 | 120.0° | 119.9° |
| C19 | C20 | H31 | 120.0° | 120.0° |
| C20 | C19 | H32 | 120.0° | 119.9° |
| C26 | C23 | C25 | 110.1° | 109.5° |
| C26 | C23 | C24 | 110.0° | 109.5° |
| C23 | C26 | H21 | 109.5° | 109.5° |
| C23 | C26 | H22 | 109.5° | 109.5° |
| C23 | C26 | H23 | 109.4° | 109.5° |
| O5 | S | C31 | 109.5° | 110.5° |
| O5 | S | O6 | 109.5° | 121.0° |
| C3 | C4 | H8 | 120.1° | 120.0° |
| C4 | C3 | H9 | 120.0° | 120.0° |
| C31 | S | O6 | 109.4° | 110.6° |
| S | C31 | H1 | 109.5° | 109.4° |
| S | C31 | H2 | 109.4° | 109.5° |
| S | C31 | H3 | 109.5° | 109.5° |
| C25 | C23 | C24 | 110.4° | 109.5° |
| C23 | C25 | H24 | 109.5° | 109.4° |
| C23 | C25 | H25 | 109.5° | 109.5° |
| C23 | C25 | H26 | 109.5° | 109.5° |
| C23 | C24 | H27 | 109.5° | 109.4° |
| C23 | C24 | H28 | 109.5° | 109.5° |
| C23 | C24 | H29 | 109.5° | 109.5° |
| H1 | C31 | H2 | 109.5° | 109.5° |
| H1 | C31 | H3 | 109.4° | 109.5° |
| H2 | C31 | H3 | 109.5° | 109.5° |
| H5 | C29 | H6 | 109.5° | 109.5° |
| H5 | C29 | H7 | 109.5° | 109.4° |
| H6 | C29 | H7 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.4° |
| H10 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.4° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.4° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H21 | C26 | H22 | 109.4° | 109.4° |
| H21 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H24 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.4° | 109.4° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H27 | C24 | H29 | 109.4° | 109.4° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H34 | C17 | H35 | 109.5° | 109.6° |
| H36 | C18 | H37 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C18 | C17 | H36 | 120.4° | 119.7° |
| N1 | C18 | C17 | H37 | 120.4° | 119.3° |
| C18 | N1 | C15 | H38 | 121.5° | 179.5° |
| N1 | C18 | C17 | O1 | 47.1° | 58.4° |
| C18 | N1 | C15 | C14 | 170.6° | 166.2° |
| C18 | N1 | C15 | C16 | 9.4° | 14.5° |
| N1 | C18 | C17 | H34 | 167.1° | 178.2° |
| N1 | C18 | C17 | H35 | 72.9° | 61.5° |
| N1 | C18 | H36 | H37 | 118.9° | 121.0° |
| C17 | C18 | N1 | C15 | 33.6° | 42.5° |
| C18 | C17 | O1 | H34 | 119.9° | 119.8° |
| C18 | C17 | O1 | H35 | 120.0° | 119.9° |
| C18 | C17 | O1 | C16 | 41.4° | 49.5° |
| C18 | C17 | H34 | H35 | 120.1° | 120.4° |
| C17 | C18 | H36 | H37 | 118.9° | 120.8° |
| C17 | C18 | N1 | H38 | 87.9° | 138.0° |
| N1 | C15 | C14 | C16 | 180.0° | 179.2° |
| N1 | C15 | C14 | C13 | 180.0° | 179.7° |
| N1 | C15 | C16 | O1 | 0.0° | 1.0° |
| N1 | C15 | C16 | C19 | 179.9° | 179.3° |
| N1 | C15 | C14 | H33 | 0.0° | 0.9° |
| C15 | N1 | C18 | H36 | 86.8° | 77.4° |
| C15 | N1 | C18 | H37 | 154.0° | 161.6° |
| O4 | C27 | O3 | C22 | 179.9° | 180.0° |
| O4 | C27 | C22 | C21 | 31.2° | 115.0° |
| O4 | C27 | C22 | O2 | 151.2° | 5.0° |
| O4 | C27 | C22 | H20 | 88.3° | 124.9° |
| O4 | C27 | O3 | H30 | 0.0° | 0.0° |
| O3 | C27 | C22 | C21 | 148.7° | 65.0° |
| O3 | C27 | C22 | O2 | 28.7° | 175.0° |
| O3 | C27 | C22 | H20 | 91.7° | 55.0° |
| C8 | C7 | C6 | C2 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 180.0° | 179.7° |
| C8 | C7 | C2 | C1 | 0.0° | 0.0° |
| C8 | C7 | C2 | C3 | 180.0° | 179.9° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C8 | C7 | C6 | H16 | 0.0° | 0.3° |
| C17 | O1 | C16 | C15 | 18.4° | 20.5° |
| C17 | O1 | C16 | C19 | 161.7° | 159.8° |
| O1 | C17 | H34 | H35 | 120.1° | 120.3° |
| O1 | C17 | C18 | H36 | 73.2° | 61.3° |
| O1 | C17 | C18 | H37 | 167.5° | 177.7° |
| C27 | C22 | C21 | O2 | 120.0° | 120.0° |
| C27 | C22 | C21 | H20 | 119.4° | 120.0° |
| C27 | C22 | O2 | H20 | 119.8° | 120.0° |
| C27 | C22 | C21 | C12 | 102.2° | 105.0° |
| C27 | C22 | C21 | C28 | 77.8° | 74.1° |
| C27 | C22 | O2 | C23 | 141.9° | 90.0° |
| C22 | C27 | O3 | H30 | 179.9° | 180.0° |
| C15 | C14 | C13 | H33 | 180.0° | 179.4° |
| C14 | C15 | C16 | O1 | 180.0° | 179.8° |
| C14 | C15 | C16 | C19 | 0.0° | 0.1° |
| C15 | C14 | C13 | C12 | 180.0° | 179.7° |
| C15 | C14 | C13 | C20 | 0.0° | 0.6° |
| C14 | C15 | N1 | H38 | 67.9° | 13.3° |
| C16 | C15 | C14 | C13 | 0.0° | 0.4° |
| C15 | C16 | O1 | C19 | 180.0° | 179.7° |
| C15 | C16 | C19 | C20 | 0.1° | 0.1° |
| C15 | C16 | C19 | H32 | 179.9° | 179.8° |
| C16 | C15 | C14 | H33 | 180.0° | 179.9° |
| C16 | C15 | N1 | H38 | 112.1° | 166.0° |
| C14 | C13 | C12 | C20 | 180.0° | 179.7° |
| C14 | C13 | C12 | C21 | 83.7° | 114.1° |
| C14 | C13 | C12 | C10 | 96.1° | 65.3° |
| C14 | C13 | C20 | C19 | 0.0° | 0.4° |
| C14 | C13 | C20 | H31 | 180.0° | 179.7° |
| C7 | C6 | C5 | H16 | 180.0° | 179.4° |
| C7 | C6 | C5 | C9 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 0.1° | 0.6° |
| C6 | C7 | C2 | C1 | 180.0° | 179.7° |
| C6 | C7 | C2 | C3 | 0.0° | 0.2° |
| C6 | C7 | C8 | H13 | 90.0° | 89.7° |
| C6 | C7 | C8 | H14 | 150.0° | 30.3° |
| C6 | C7 | C8 | H15 | 30.0° | 150.3° |
| C5 | C6 | C7 | C2 | 0.1° | 0.6° |
| C6 | C5 | C9 | C10 | 99.4° | 62.8° |
| C6 | C5 | C9 | C30 | 80.6° | 117.2° |
| C6 | C5 | C9 | C4 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | H8 | 179.9° | 179.8° |
| C7 | C2 | C1 | C3 | 180.0° | 179.9° |
| C7 | C2 | C3 | C4 | 0.0° | 0.1° |
| C7 | C2 | C3 | H9 | 180.0° | 180.0° |
| C7 | C2 | C1 | H10 | 90.0° | 89.9° |
| C7 | C2 | C1 | H11 | 150.0° | 30.1° |
| C7 | C2 | C1 | H12 | 30.0° | 150.0° |
| C2 | C7 | C8 | H13 | 90.0° | 90.0° |
| C2 | C7 | C8 | H14 | 30.0° | 150.0° |
| C2 | C7 | C8 | H15 | 150.0° | 30.0° |
| C2 | C7 | C6 | H16 | 180.0° | 180.0° |
| O1 | C16 | C19 | C20 | 180.0° | 179.6° |
| O1 | C16 | C19 | H32 | 0.0° | 0.4° |
| C16 | O1 | C17 | H34 | 161.3° | 169.3° |
| C16 | O1 | C17 | H35 | 78.6° | 70.4° |
| C16 | C19 | C20 | C13 | 0.0° | 0.0° |
| C16 | C19 | C20 | H32 | 180.0° | 180.0° |
| C16 | C19 | C20 | H31 | 179.9° | 180.0° |
| C21 | C22 | O2 | H20 | 120.1° | 120.1° |
| C22 | C21 | C12 | C13 | 0.1° | 0.6° |
| C22 | C21 | C12 | C28 | 179.9° | 179.2° |
| C22 | C21 | C12 | C10 | 180.0° | 180.0° |
| C22 | C21 | C28 | C29 | 0.0° | 0.3° |
| C22 | C21 | C28 | C30 | 180.0° | 179.7° |
| C21 | C22 | O2 | C23 | 98.1° | 150.1° |
| O2 | C22 | C21 | C12 | 137.7° | 135.0° |
| O2 | C22 | C21 | C28 | 42.2° | 45.8° |
| C22 | O2 | C23 | C26 | 44.1° | 60.0° |
| C22 | O2 | C23 | C25 | 163.9° | 60.0° |
| C22 | O2 | C23 | C24 | 75.7° | 180.0° |
| C13 | C12 | C21 | C10 | 179.9° | 179.4° |
| C13 | C12 | C21 | C28 | 180.0° | 179.8° |
| C13 | C12 | C10 | C11 | 0.1° | 0.1° |
| C13 | C12 | C10 | C9 | 180.0° | 180.0° |
| C12 | C13 | C20 | C19 | 180.0° | 179.9° |
| C12 | C13 | C20 | H31 | 0.0° | 0.0° |
| C12 | C13 | C14 | H33 | 0.0° | 0.3° |
| C20 | C13 | C12 | C21 | 96.2° | 65.6° |
| C20 | C13 | C12 | C10 | 83.9° | 115.0° |
| C13 | C20 | C19 | H31 | 180.0° | 180.0° |
| C13 | C20 | C19 | H32 | 180.0° | 180.0° |
| C20 | C13 | C14 | H33 | 180.0° | 180.0° |
| C12 | C21 | C28 | C29 | 179.9° | 179.4° |
| C12 | C21 | C28 | C30 | 0.0° | 0.6° |
| C21 | C12 | C10 | C11 | 180.0° | 179.5° |
| C21 | C12 | C10 | C9 | 0.1° | 0.6° |
| C12 | C21 | C22 | H20 | 17.1° | 15.0° |
| C28 | C21 | C12 | C10 | 0.1° | 0.9° |
| C21 | C28 | C29 | C30 | 180.0° | 180.0° |
| C21 | C28 | C30 | C9 | 0.0° | 0.0° |
| C21 | C28 | C30 | N2 | 180.0° | 179.7° |
| C21 | C28 | C29 | H5 | 90.0° | 93.3° |
| C21 | C28 | C29 | H6 | 150.0° | 26.8° |
| C21 | C28 | C29 | H7 | 30.0° | 146.8° |
| C28 | C21 | C22 | H20 | 162.8° | 165.9° |
| C12 | C10 | C11 | C9 | 179.9° | 179.9° |
| C12 | C10 | C9 | C30 | 0.0° | 0.0° |
| C12 | C10 | C9 | C5 | 180.0° | 180.0° |
| C12 | C10 | C11 | H17 | 89.9° | 89.9° |
| C12 | C10 | C11 | H18 | 150.0° | 30.1° |
| C12 | C10 | C11 | H19 | 30.0° | 150.1° |
| C29 | C28 | C30 | C9 | 180.0° | 180.0° |
| C29 | C28 | C30 | N2 | 0.0° | 0.3° |
| C28 | C29 | H5 | H6 | 120.0° | 120.0° |
| C28 | C29 | H5 | H7 | 120.0° | 119.9° |
| C28 | C29 | H6 | H7 | 120.0° | 120.0° |
| C28 | C30 | C9 | C10 | 0.0° | 0.3° |
| C28 | C30 | C9 | N2 | 180.0° | 179.7° |
| C28 | C30 | C9 | C5 | 180.0° | 179.8° |
| C28 | C30 | N2 | S | 89.8° | 108.6° |
| C28 | C30 | N2 | H4 | 31.7° | 71.3° |
| C30 | C28 | C29 | H5 | 90.0° | 86.7° |
| C30 | C28 | C29 | H6 | 30.0° | 153.2° |
| C30 | C28 | C29 | H7 | 150.0° | 33.2° |
| C11 | C10 | C9 | C30 | 180.0° | 179.9° |
| C11 | C10 | C9 | C5 | 0.0° | 0.0° |
| C10 | C11 | H17 | H18 | 120.0° | 120.0° |
| C10 | C11 | H17 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.0° |
| C10 | C9 | C30 | C5 | 180.0° | 179.9° |
| C10 | C9 | C30 | N2 | 180.0° | 180.0° |
| C10 | C9 | C5 | C4 | 80.6° | 116.9° |
| C9 | C10 | C11 | H17 | 90.0° | 90.0° |
| C9 | C10 | C11 | H18 | 30.0° | 150.0° |
| C9 | C10 | C11 | H19 | 150.0° | 30.0° |
| C9 | C30 | N2 | S | 90.2° | 71.1° |
| C30 | C9 | C5 | C4 | 99.4° | 63.0° |
| C9 | C30 | N2 | H4 | 148.3° | 109.0° |
| N2 | C30 | C9 | C5 | 0.0° | 0.1° |
| C30 | N2 | S | H4 | 121.5° | 179.9° |
| C30 | N2 | S | O5 | 160.0° | 178.5° |
| C30 | N2 | S | C31 | 80.0° | 62.5° |
| C30 | N2 | S | O6 | 40.0° | 53.6° |
| C9 | C5 | C4 | C3 | 180.0° | 180.0° |
| C9 | C5 | C4 | H8 | 0.0° | 0.0° |
| C9 | C5 | C6 | H16 | 0.0° | 0.3° |
| N2 | S | O5 | C31 | 120.0° | 111.7° |
| N2 | S | O5 | O6 | 120.0° | 116.7° |
| N2 | S | C31 | O6 | 120.0° | 111.6° |
| N2 | S | C31 | H1 | 180.0° | 57.3° |
| N2 | S | C31 | H2 | 60.0° | 62.7° |
| N2 | S | C31 | H3 | 60.0° | 177.3° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C5 | C4 | C3 | H8 | 180.0° | 180.0° |
| C5 | C4 | C3 | H9 | 179.9° | 180.0° |
| C4 | C5 | C6 | H16 | 179.9° | 180.0° |
| O2 | C23 | C26 | C25 | 119.1° | 120.0° |
| O2 | C23 | C26 | C24 | 119.0° | 120.0° |
| O2 | C23 | C25 | C24 | 119.5° | 120.0° |
| C23 | O2 | C22 | H20 | 22.1° | 30.0° |
| O2 | C23 | C26 | H21 | 180.0° | 60.1° |
| O2 | C23 | C26 | H22 | 60.0° | 180.0° |
| O2 | C23 | C26 | H23 | 60.0° | 60.0° |
| O2 | C23 | C25 | H24 | 180.0° | 60.0° |
| O2 | C23 | C25 | H25 | 60.0° | 180.0° |
| O2 | C23 | C25 | H26 | 60.0° | 60.0° |
| O2 | C23 | C24 | H27 | 180.0° | 59.9° |
| O2 | C23 | C24 | H28 | 60.0° | 179.9° |
| O2 | C23 | C24 | H29 | 60.0° | 60.0° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C3 | H9 | 0.0° | 0.1° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C3 | C4 | H9 | 180.0° | 179.9° |
| C2 | C3 | C4 | H8 | 179.9° | 179.9° |
| C3 | C2 | C1 | H10 | 90.0° | 90.0° |
| C3 | C2 | C1 | H11 | 30.0° | 150.0° |
| C3 | C2 | C1 | H12 | 150.0° | 30.1° |
| C26 | C23 | C25 | C24 | 121.7° | 120.0° |
| C23 | C26 | H21 | H22 | 120.0° | 120.0° |
| C23 | C26 | H21 | H23 | 120.0° | 120.0° |
| C23 | C26 | H22 | H23 | 120.0° | 120.0° |
| C26 | C23 | C25 | H24 | 61.2° | 180.0° |
| C26 | C23 | C25 | H25 | 58.9° | 60.0° |
| C26 | C23 | C25 | H26 | 178.8° | 60.0° |
| C26 | C23 | C24 | H27 | 61.2° | 60.0° |
| C26 | C23 | C24 | H28 | 178.8° | 60.0° |
| C26 | C23 | C24 | H29 | 58.8° | 179.9° |
| O5 | S | C31 | O6 | 120.0° | 136.8° |
| O5 | S | C31 | H1 | 60.0° | 168.9° |
| O5 | S | C31 | H2 | 60.1° | 48.9° |
| O5 | S | C31 | H3 | 179.9° | 71.1° |
| O5 | S | N2 | H4 | 38.5° | 1.4° |
| S | C31 | H1 | H2 | 120.0° | 120.0° |
| S | C31 | H1 | H3 | 120.0° | 120.0° |
| S | C31 | H2 | H3 | 120.0° | 120.0° |
| C31 | S | N2 | H4 | 158.5° | 117.4° |
| O6 | S | C31 | H1 | 60.0° | 54.3° |
| O6 | S | C31 | H2 | 180.0° | 174.3° |
| O6 | S | C31 | H3 | 60.0° | 65.7° |
| O6 | S | N2 | H4 | 81.5° | 126.5° |
| C25 | C23 | C26 | H21 | 60.9° | 59.9° |
| C25 | C23 | C26 | H22 | 179.1° | 60.0° |
| C25 | C23 | C26 | H23 | 59.1° | 180.0° |
| C23 | C25 | H24 | H25 | 120.0° | 120.0° |
| C23 | C25 | H24 | H26 | 120.0° | 120.0° |
| C23 | C25 | H25 | H26 | 120.0° | 120.0° |
| C25 | C23 | C24 | H27 | 60.5° | 180.0° |
| C25 | C23 | C24 | H28 | 59.5° | 60.1° |
| C25 | C23 | C24 | H29 | 179.5° | 60.0° |
| C24 | C23 | C26 | H21 | 61.0° | 180.0° |
| C24 | C23 | C26 | H22 | 59.0° | 60.1° |
| C24 | C23 | C26 | H23 | 179.0° | 60.0° |
| C24 | C23 | C25 | H24 | 60.5° | 60.0° |
| C24 | C23 | C25 | H25 | 179.4° | 60.0° |
| C24 | C23 | C25 | H26 | 59.5° | 180.0° |
| C23 | C24 | H27 | H28 | 120.0° | 120.0° |
| C23 | C24 | H27 | H29 | 120.0° | 120.0° |
| C23 | C24 | H28 | H29 | 120.0° | 120.0° |
| H1 | C31 | H2 | H3 | 120.0° | 120.1° |
| H5 | C29 | H6 | H7 | 120.0° | 120.0° |
| H8 | C4 | C3 | H9 | 0.1° | 0.0° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| H17 | C11 | H18 | H19 | 120.0° | 119.9° |
| H21 | C26 | H22 | H23 | 120.0° | 120.0° |
| H24 | C25 | H25 | H26 | 120.0° | 120.0° |
| H27 | C24 | H28 | H29 | 120.0° | 120.0° |
| H31 | C20 | C19 | H32 | 0.0° | 0.1° |
| H34 | C17 | C18 | H36 | 46.7° | 58.5° |
| H34 | C17 | C18 | H37 | 72.6° | 62.5° |
| H35 | C17 | C18 | H36 | 166.8° | 178.8° |
| H35 | C17 | C18 | H37 | 47.5° | 57.8° |
| H36 | C18 | N1 | H38 | 151.7° | 102.0° |
| H37 | C18 | N1 | H38 | 32.4° | 19.0° |
