J7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.51Å | 1.48Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N4 | C7 | sing | 1.39Å | 1.33Å | |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| N3 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| C26 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | N5 | sing | 1.39Å | 1.34Å | |
| C9 | N6 | doub | 1.33Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.44Å | |
| C11 | N1 | sing | 1.40Å | 1.42Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C5 | sing | 1.33Å | 1.39Å | Aromatic |
| N2 | C4 | doub | 1.30Å | 1.30Å | Aromatic |
| C5 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| N1 | C4 | sing | 1.39Å | 1.32Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C4 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C10 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C14 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | O3 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | O3 | sing | 1.36Å | 1.37Å | |
| C23 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | N8 | sing | 1.47Å | 1.47Å | |
| C19 | N8 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | S2 | sing | 1.76Å | 1.76Å | |
| N8 | C21 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C18 | N7 | sing | 1.47Å | 1.47Å | |
| N7 | S2 | sing | 1.66Å | 1.64Å | |
| N7 | C22 | sing | 1.47Å | 1.47Å | |
| S2 | O2 | doub | 1.42Å | 1.43Å | |
| S2 | O1 | doub | 1.42Å | 1.42Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| C12 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 119.4° | 120.0° |
| C29 | C28 | C11 | 122.3° | 119.9° |
| C28 | C29 | H35 | 109.5° | 109.5° |
| C28 | C29 | H36 | 109.5° | 109.5° |
| C28 | C29 | H37 | 109.5° | 109.5° |
| C28 | C27 | C26 | 120.7° | 120.2° |
| C27 | C28 | C11 | 118.3° | 120.1° |
| C28 | C27 | H34 | 119.6° | 119.8° |
| C27 | C26 | C13 | 121.0° | 120.0° |
| C27 | C26 | H14 | 119.5° | 120.0° |
| C26 | C27 | H34 | 119.7° | 119.9° |
| C28 | C11 | N1 | 120.2° | 120.0° |
| C28 | C11 | C12 | 121.0° | 120.0° |
| N4 | C7 | C8 | 120.7° | 120.4° |
| N4 | C7 | N3 | 117.9° | 120.4° |
| C7 | N4 | H22 | 109.5° | 119.9° |
| C7 | N4 | H23 | 109.5° | 120.1° |
| C8 | C7 | N3 | 121.3° | 119.2° |
| C7 | C8 | C9 | 117.0° | 118.4° |
| C7 | C8 | H1 | 121.5° | 120.8° |
| C7 | N3 | C6 | 117.9° | 120.8° |
| C8 | C9 | N5 | 121.1° | 120.4° |
| C8 | C9 | N6 | 121.8° | 119.1° |
| C9 | C8 | H1 | 121.5° | 120.8° |
| N3 | C6 | N6 | 123.8° | 121.7° |
| N3 | C6 | C5 | 119.1° | 119.1° |
| C26 | C13 | C12 | 119.0° | 119.8° |
| C26 | C13 | C14 | 122.1° | 120.1° |
| C13 | C26 | H14 | 119.5° | 120.0° |
| N5 | C9 | N6 | 117.2° | 120.4° |
| C9 | N5 | H24 | 109.5° | 120.0° |
| C9 | N5 | H25 | 109.5° | 120.1° |
| C9 | N6 | C6 | 118.3° | 120.8° |
| N6 | C6 | C5 | 117.0° | 119.2° |
| C6 | C5 | N2 | 119.6° | 122.4° |
| C6 | C5 | C10 | 125.3° | 122.4° |
| N1 | C11 | C12 | 118.9° | 120.0° |
| C11 | N1 | C4 | 119.1° | 120.0° |
| C11 | N1 | C3 | 117.7° | 120.0° |
| C11 | C12 | C13 | 120.1° | 119.8° |
| C11 | C12 | H26 | 119.9° | 120.1° |
| C5 | N2 | C4 | 109.9° | 116.9° |
| N2 | C5 | C10 | 114.9° | 115.2° |
| N2 | C4 | N1 | 123.8° | 125.2° |
| N2 | C4 | S1 | 116.1° | 109.5° |
| C5 | C10 | S1 | 110.8° | 108.3° |
| C5 | C10 | H2 | 124.6° | 125.8° |
| C4 | N1 | C3 | 123.2° | 120.0° |
| N1 | C4 | S1 | 120.0° | 125.3° |
| N1 | C3 | C2 | 113.1° | 109.5° |
| N1 | C3 | H20 | 108.6° | 109.5° |
| N1 | C3 | H21 | 108.6° | 109.5° |
| C4 | S1 | C10 | 88.2° | 90.1° |
| C3 | C2 | C1 | 110.1° | 109.4° |
| C3 | C2 | H18 | 109.3° | 109.5° |
| C3 | C2 | H19 | 109.3° | 109.5° |
| C2 | C3 | H20 | 108.6° | 109.5° |
| C2 | C3 | H21 | 108.6° | 109.5° |
| S1 | C10 | H2 | 124.6° | 125.9° |
| C12 | C13 | C14 | 119.0° | 120.1° |
| C13 | C12 | H26 | 120.0° | 120.1° |
| C13 | C14 | C25 | 121.2° | 120.1° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C1 | C2 | H18 | 109.3° | 109.5° |
| C1 | C2 | H19 | 109.3° | 109.5° |
| C25 | C14 | C15 | 119.3° | 119.8° |
| C14 | C25 | C23 | 120.8° | 119.8° |
| C14 | C25 | H33 | 119.6° | 120.1° |
| C14 | C15 | C16 | 121.0° | 120.0° |
| C14 | C15 | H3 | 119.5° | 120.1° |
| C25 | C23 | O3 | 124.1° | 120.0° |
| C25 | C23 | C17 | 118.6° | 120.0° |
| C23 | C25 | H33 | 119.6° | 120.1° |
| C24 | O3 | C23 | 120.2° | 117.0° |
| O3 | C24 | H11 | 109.5° | 109.4° |
| O3 | C24 | H12 | 109.5° | 109.5° |
| O3 | C24 | H13 | 109.5° | 109.4° |
| C15 | C16 | C17 | 119.8° | 120.1° |
| C16 | C15 | H3 | 119.5° | 119.9° |
| C15 | C16 | H27 | 120.1° | 119.9° |
| O3 | C23 | C17 | 117.3° | 120.0° |
| C23 | C17 | C16 | 120.6° | 120.2° |
| C23 | C17 | S2 | 121.5° | 119.9° |
| C20 | N8 | C19 | 110.8° | 111.0° |
| C20 | N8 | C21 | 110.9° | 111.0° |
| N8 | C20 | H4 | 109.5° | 109.5° |
| N8 | C20 | H5 | 109.4° | 109.5° |
| N8 | C20 | H6 | 109.4° | 109.4° |
| N8 | C19 | C18 | 112.2° | 109.4° |
| C19 | N8 | C21 | 111.2° | 111.3° |
| N8 | C19 | H30 | 108.8° | 109.5° |
| N8 | C19 | H31 | 108.8° | 109.5° |
| C19 | C18 | N7 | 107.4° | 108.5° |
| C19 | C18 | H28 | 110.0° | 109.7° |
| C19 | C18 | H29 | 110.0° | 109.8° |
| C18 | C19 | H30 | 108.8° | 109.4° |
| C18 | C19 | H31 | 108.8° | 109.5° |
| C16 | C17 | S2 | 117.9° | 119.9° |
| C17 | C16 | H27 | 120.1° | 119.9° |
| C17 | S2 | N7 | 105.9° | 107.2° |
| C17 | S2 | O2 | 107.4° | 106.4° |
| C17 | S2 | O1 | 106.8° | 106.4° |
| N8 | C21 | C22 | 111.4° | 109.3° |
| N8 | C21 | H7 | 109.0° | 109.5° |
| N8 | C21 | H8 | 109.0° | 109.5° |
| C21 | C22 | N7 | 107.9° | 108.6° |
| C22 | C21 | H7 | 109.0° | 109.5° |
| C22 | C21 | H8 | 109.0° | 109.5° |
| C21 | C22 | H9 | 109.9° | 109.7° |
| C21 | C22 | H10 | 109.9° | 109.6° |
| C18 | N7 | S2 | 118.1° | 120.9° |
| C18 | N7 | C22 | 112.3° | 118.2° |
| N7 | C18 | H28 | 110.0° | 109.6° |
| N7 | C18 | H29 | 110.0° | 109.6° |
| S2 | N7 | C22 | 119.5° | 120.9° |
| N7 | S2 | O2 | 107.4° | 106.4° |
| N7 | S2 | O1 | 107.1° | 106.4° |
| N7 | C22 | H9 | 109.8° | 109.6° |
| N7 | C22 | H10 | 109.9° | 109.7° |
| O2 | S2 | O1 | 121.3° | 123.1° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H4 | C20 | H6 | 109.4° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.6° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H13 | 109.5° | 109.4° |
| H12 | C24 | H13 | 109.4° | 109.5° |
| H15 | C1 | H16 | 109.4° | 109.5° |
| H15 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H18 | C2 | H19 | 109.5° | 109.5° |
| H20 | C3 | H21 | 109.5° | 109.5° |
| H22 | N4 | H23 | 109.5° | 120.0° |
| H24 | N5 | H25 | 109.5° | 119.9° |
| H28 | C18 | H29 | 109.5° | 109.6° |
| H30 | C19 | H31 | 109.4° | 109.5° |
| H35 | C29 | H36 | 109.5° | 109.4° |
| H35 | C29 | H37 | 109.5° | 109.5° |
| H36 | C29 | H37 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | C11 | 178.8° | 179.5° |
| C29 | C28 | C27 | C26 | 177.3° | 179.8° |
| C29 | C28 | C11 | N1 | 1.0° | 0.5° |
| C29 | C28 | C11 | C12 | 178.5° | 180.0° |
| C29 | C28 | C27 | H34 | 2.7° | 0.6° |
| C28 | C29 | H35 | H36 | 120.0° | 120.0° |
| C28 | C29 | H35 | H37 | 120.0° | 120.1° |
| C28 | C29 | H36 | H37 | 120.0° | 120.1° |
| C28 | C27 | C26 | H34 | 180.0° | 179.6° |
| C28 | C27 | C26 | C13 | 2.2° | 0.1° |
| C27 | C28 | C11 | N1 | 179.7° | 179.9° |
| C27 | C28 | C11 | C12 | 0.3° | 0.6° |
| C28 | C27 | C26 | H14 | 177.8° | 179.9° |
| C27 | C28 | C29 | H35 | 90.6° | 90.8° |
| C27 | C28 | C29 | H36 | 149.4° | 29.2° |
| C27 | C28 | C29 | H37 | 29.4° | 149.2° |
| C26 | C27 | C28 | C11 | 1.5° | 0.3° |
| C27 | C26 | C13 | H14 | 180.0° | 180.0° |
| C27 | C26 | C13 | C12 | 1.6° | 0.0° |
| C27 | C26 | C13 | C14 | 178.1° | 179.8° |
| C28 | C11 | N1 | C12 | 179.4° | 179.5° |
| C28 | C11 | N1 | C4 | 98.9° | 90.7° |
| C28 | C11 | N1 | C3 | 78.2° | 89.6° |
| C28 | C11 | C12 | C13 | 0.2° | 0.5° |
| C28 | C11 | C12 | H26 | 179.7° | 179.5° |
| C11 | C28 | C27 | H34 | 178.5° | 180.0° |
| C11 | C28 | C29 | H35 | 90.6° | 88.7° |
| C11 | C28 | C29 | H36 | 29.4° | 151.3° |
| C11 | C28 | C29 | H37 | 149.3° | 31.3° |
| N4 | C7 | C8 | N3 | 179.7° | 180.0° |
| N4 | C7 | C8 | C9 | 178.5° | 180.0° |
| N4 | C7 | N3 | C6 | 177.7° | 179.9° |
| N4 | C7 | C8 | H1 | 1.5° | 0.0° |
| C7 | N4 | H22 | H23 | 120.0° | 179.9° |
| C7 | C8 | C9 | H1 | 180.0° | 180.0° |
| C8 | C7 | N3 | C6 | 2.0° | 0.1° |
| C7 | C8 | C9 | N5 | 179.3° | 179.9° |
| C7 | C8 | C9 | N6 | 0.4° | 0.0° |
| C8 | C7 | N4 | H22 | 179.7° | 0.0° |
| C8 | C7 | N4 | H23 | 60.3° | 179.9° |
| N3 | C7 | C8 | C9 | 1.1° | 0.0° |
| C7 | N3 | C6 | N6 | 2.3° | 0.1° |
| C7 | N3 | C6 | C5 | 179.2° | 180.0° |
| N3 | C7 | C8 | H1 | 178.9° | 180.0° |
| N3 | C7 | N4 | H22 | 0.0° | 180.0° |
| N3 | C7 | N4 | H23 | 120.0° | 0.0° |
| C8 | C9 | N5 | N6 | 179.0° | 179.9° |
| C8 | C9 | N6 | C6 | 0.6° | 0.0° |
| C8 | C9 | N5 | H24 | 178.9° | 0.0° |
| C8 | C9 | N5 | H25 | 61.0° | 180.0° |
| N3 | C6 | N6 | C9 | 1.6° | 0.0° |
| N3 | C6 | N6 | C5 | 177.0° | 180.0° |
| N3 | C6 | C5 | N2 | 163.4° | 179.8° |
| N3 | C6 | C5 | C10 | 12.0° | 0.1° |
| C26 | C13 | C12 | C11 | 0.4° | 0.3° |
| C26 | C13 | C12 | C14 | 179.7° | 179.7° |
| C26 | C13 | C14 | C25 | 55.0° | 0.3° |
| C26 | C13 | C14 | C15 | 127.5° | 179.7° |
| C26 | C13 | C12 | H26 | 179.6° | 179.8° |
| C13 | C26 | C27 | H34 | 177.8° | 179.7° |
| N5 | C9 | N6 | C6 | 179.6° | 180.0° |
| N5 | C9 | C8 | H1 | 0.6° | 0.0° |
| C9 | N5 | H24 | H25 | 120.0° | 180.0° |
| C9 | N6 | C6 | C5 | 178.6° | 180.0° |
| N6 | C9 | C8 | H1 | 179.6° | 180.0° |
| N6 | C9 | N5 | H24 | 0.0° | 180.0° |
| N6 | C9 | N5 | H25 | 120.0° | 0.0° |
| N6 | C6 | C5 | N2 | 13.7° | 0.2° |
| N6 | C6 | C5 | C10 | 170.9° | 180.0° |
| C6 | C5 | N2 | C10 | 175.9° | 179.9° |
| C6 | C5 | N2 | C4 | 178.4° | 179.8° |
| C6 | C5 | C10 | S1 | 177.5° | 180.0° |
| C6 | C5 | C10 | H2 | 2.5° | 0.0° |
| C11 | N1 | C4 | N2 | 165.6° | 180.0° |
| C11 | N1 | C4 | C3 | 177.0° | 179.7° |
| C11 | N1 | C4 | S1 | 9.9° | 0.3° |
| C11 | N1 | C3 | C2 | 94.1° | 94.5° |
| N1 | C11 | C12 | C13 | 179.2° | 180.0° |
| C11 | N1 | C3 | H20 | 145.4° | 25.5° |
| C11 | N1 | C3 | H21 | 26.5° | 145.5° |
| N1 | C11 | C12 | H26 | 0.8° | 0.0° |
| C12 | C11 | N1 | C4 | 80.5° | 88.8° |
| C12 | C11 | N1 | C3 | 102.3° | 90.9° |
| C11 | C12 | C13 | H26 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.3° | 180.0° |
| C5 | N2 | C4 | N1 | 177.8° | 180.0° |
| C5 | N2 | C4 | S1 | 2.1° | 0.2° |
| N2 | C5 | C10 | S1 | 1.9° | 0.1° |
| N2 | C5 | C10 | H2 | 178.1° | 179.8° |
| C4 | N2 | C5 | C10 | 2.5° | 0.0° |
| N2 | C4 | N1 | S1 | 175.6° | 179.8° |
| N2 | C4 | N1 | C3 | 11.4° | 0.2° |
| N2 | C4 | S1 | C10 | 0.9° | 0.2° |
| C5 | C10 | S1 | C4 | 0.6° | 0.2° |
| C5 | C10 | S1 | H2 | 180.0° | 180.0° |
| C4 | N1 | C3 | C2 | 88.9° | 85.2° |
| N1 | C4 | S1 | C10 | 176.8° | 180.0° |
| C4 | N1 | C3 | H20 | 31.7° | 154.7° |
| C4 | N1 | C3 | H21 | 150.6° | 34.8° |
| C3 | N1 | C4 | S1 | 173.1° | 180.0° |
| N1 | C3 | C2 | H20 | 120.5° | 120.0° |
| N1 | C3 | C2 | H21 | 120.5° | 120.0° |
| N1 | C3 | C2 | C1 | 173.5° | 177.2° |
| N1 | C3 | C2 | H18 | 53.5° | 57.2° |
| N1 | C3 | C2 | H19 | 66.4° | 62.8° |
| N1 | C3 | H20 | H21 | 118.3° | 120.0° |
| C4 | S1 | C10 | H2 | 179.4° | 179.8° |
| C3 | C2 | C1 | H18 | 120.1° | 120.0° |
| C3 | C2 | C1 | H19 | 120.1° | 120.0° |
| C3 | C2 | C1 | H15 | 180.0° | 60.0° |
| C3 | C2 | C1 | H16 | 60.0° | 60.0° |
| C3 | C2 | C1 | H17 | 60.0° | 180.0° |
| C3 | C2 | H18 | H19 | 119.7° | 120.0° |
| C2 | C3 | H20 | H21 | 118.4° | 120.0° |
| C12 | C13 | C14 | C25 | 125.3° | 180.0° |
| C12 | C13 | C14 | C15 | 52.2° | 0.0° |
| C12 | C13 | C26 | H14 | 178.4° | 180.0° |
| C13 | C14 | C25 | C15 | 177.5° | 180.0° |
| C13 | C14 | C25 | C23 | 178.1° | 180.0° |
| C13 | C14 | C15 | C16 | 177.9° | 180.0° |
| C13 | C14 | C15 | H3 | 2.0° | 0.3° |
| C14 | C13 | C26 | H14 | 1.9° | 0.2° |
| C14 | C13 | C12 | H26 | 0.6° | 0.0° |
| C13 | C14 | C25 | H33 | 1.9° | 0.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C1 | C2 | H18 | H19 | 119.7° | 120.0° |
| C1 | C2 | C3 | H20 | 65.9° | 57.2° |
| C1 | C2 | C3 | H21 | 53.0° | 62.8° |
| C14 | C25 | C23 | H33 | 180.0° | 180.0° |
| C25 | C14 | C15 | C16 | 0.4° | 0.0° |
| C14 | C25 | C23 | O3 | 178.7° | 179.7° |
| C14 | C25 | C23 | C17 | 0.8° | 0.1° |
| C25 | C14 | C15 | H3 | 179.6° | 179.7° |
| C15 | C14 | C25 | C23 | 0.6° | 0.1° |
| C14 | C15 | C16 | H3 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.4° | 0.2° |
| C14 | C15 | C16 | H27 | 179.6° | 179.7° |
| C15 | C14 | C25 | H33 | 179.4° | 180.0° |
| C25 | C23 | O3 | C24 | 14.3° | 0.1° |
| C25 | C23 | O3 | C17 | 179.5° | 179.8° |
| C25 | C23 | C17 | C16 | 0.8° | 0.4° |
| C25 | C23 | C17 | S2 | 179.9° | 180.0° |
| C24 | O3 | C23 | C17 | 166.1° | 180.0° |
| O3 | C24 | H11 | H12 | 120.0° | 120.0° |
| O3 | C24 | H11 | H13 | 120.0° | 119.9° |
| O3 | C24 | H12 | H13 | 120.0° | 120.0° |
| C15 | C16 | C17 | C23 | 0.7° | 0.4° |
| C15 | C16 | C17 | H27 | 180.0° | 179.9° |
| C15 | C16 | C17 | S2 | 179.8° | 180.0° |
| O3 | C23 | C17 | C16 | 178.7° | 179.5° |
| O3 | C23 | C17 | S2 | 0.4° | 0.1° |
| C23 | O3 | C24 | H11 | 180.0° | 180.0° |
| C23 | O3 | C24 | H12 | 60.0° | 60.0° |
| C23 | O3 | C24 | H13 | 60.0° | 60.1° |
| O3 | C23 | C25 | H33 | 1.3° | 0.3° |
| C23 | C17 | C16 | S2 | 179.1° | 179.6° |
| C23 | C17 | S2 | N7 | 45.1° | 65.4° |
| C23 | C17 | S2 | O2 | 69.3° | 179.0° |
| C23 | C17 | S2 | O1 | 159.1° | 48.1° |
| C23 | C17 | C16 | H27 | 179.4° | 179.5° |
| C17 | C23 | C25 | H33 | 179.2° | 179.8° |
| C20 | N8 | C19 | C21 | 123.8° | 124.2° |
| C20 | N8 | C19 | C18 | 179.1° | 172.7° |
| C20 | N8 | C21 | C22 | 179.1° | 172.7° |
| N8 | C20 | H4 | H5 | 120.0° | 120.0° |
| N8 | C20 | H4 | H6 | 120.0° | 119.9° |
| N8 | C20 | H5 | H6 | 120.0° | 120.0° |
| C20 | N8 | C21 | H7 | 60.6° | 67.3° |
| C20 | N8 | C21 | H8 | 58.8° | 52.8° |
| C20 | N8 | C19 | H30 | 58.7° | 52.8° |
| C20 | N8 | C19 | H31 | 60.4° | 67.3° |
| N8 | C19 | C18 | H30 | 120.4° | 120.0° |
| N8 | C19 | C18 | H31 | 120.4° | 120.0° |
| C19 | N8 | C21 | C22 | 55.3° | 63.1° |
| N8 | C19 | C18 | N7 | 56.4° | 53.8° |
| C19 | N8 | C20 | H4 | 180.0° | 60.0° |
| C19 | N8 | C20 | H5 | 60.0° | 180.0° |
| C19 | N8 | C20 | H6 | 60.0° | 60.0° |
| C19 | N8 | C21 | H7 | 175.6° | 56.8° |
| C19 | N8 | C21 | H8 | 65.0° | 176.9° |
| N8 | C19 | C18 | H28 | 176.1° | 65.9° |
| N8 | C19 | C18 | H29 | 63.2° | 173.6° |
| N8 | C19 | H30 | H31 | 118.8° | 120.1° |
| C18 | C19 | N8 | C21 | 55.3° | 63.1° |
| C19 | C18 | N7 | H28 | 119.7° | 119.7° |
| C19 | C18 | N7 | H29 | 119.7° | 119.9° |
| C19 | C18 | N7 | S2 | 154.3° | 128.8° |
| C19 | C18 | N7 | C22 | 60.3° | 51.1° |
| C19 | C18 | H28 | H29 | 121.0° | 120.6° |
| C18 | C19 | H30 | H31 | 118.8° | 120.0° |
| C16 | C17 | S2 | N7 | 134.0° | 115.0° |
| C16 | C17 | S2 | O2 | 111.5° | 1.4° |
| C16 | C17 | S2 | O1 | 20.0° | 131.5° |
| C17 | C16 | C15 | H3 | 179.5° | 179.9° |
| C17 | S2 | N7 | C18 | 81.6° | 90.0° |
| C17 | S2 | N7 | O2 | 114.5° | 113.6° |
| C17 | S2 | N7 | O1 | 113.7° | 113.5° |
| C17 | S2 | N7 | C22 | 135.6° | 90.0° |
| C17 | S2 | O2 | O1 | 123.0° | 123.0° |
| S2 | C17 | C16 | H27 | 0.2° | 0.1° |
| N8 | C21 | C22 | H7 | 120.3° | 119.9° |
| N8 | C21 | C22 | H8 | 120.3° | 120.0° |
| N8 | C21 | C22 | N7 | 57.1° | 53.8° |
| C21 | N8 | C20 | H4 | 56.0° | 64.4° |
| C21 | N8 | C20 | H5 | 176.0° | 55.7° |
| C21 | N8 | C20 | H6 | 64.0° | 175.7° |
| N8 | C21 | H7 | H8 | 119.1° | 120.1° |
| N8 | C21 | C22 | H9 | 62.7° | 65.9° |
| N8 | C21 | C22 | H10 | 176.8° | 173.7° |
| C21 | N8 | C19 | H30 | 65.1° | 177.0° |
| C21 | N8 | C19 | H31 | 175.7° | 56.8° |
| C21 | C22 | N7 | C18 | 61.0° | 51.2° |
| C21 | C22 | N7 | S2 | 154.1° | 128.7° |
| C21 | C22 | N7 | H9 | 119.8° | 119.8° |
| C21 | C22 | N7 | H10 | 119.8° | 119.8° |
| C22 | C21 | H7 | H8 | 119.1° | 120.1° |
| C21 | C22 | H9 | H10 | 120.7° | 120.4° |
| C18 | N7 | S2 | C22 | 142.8° | 179.9° |
| C18 | N7 | S2 | O2 | 163.9° | 23.6° |
| C18 | N7 | S2 | O1 | 32.1° | 156.5° |
| C18 | N7 | C22 | H9 | 58.8° | 68.6° |
| C18 | N7 | C22 | H10 | 179.2° | 171.0° |
| N7 | C18 | H28 | H29 | 120.9° | 120.4° |
| N7 | C18 | C19 | H30 | 64.0° | 173.8° |
| N7 | C18 | C19 | H31 | 176.9° | 66.1° |
| N7 | S2 | O2 | O1 | 123.5° | 122.9° |
| S2 | N7 | C22 | H9 | 86.1° | 111.5° |
| S2 | N7 | C22 | H10 | 34.3° | 9.0° |
| S2 | N7 | C18 | H28 | 34.6° | 111.5° |
| S2 | N7 | C18 | H29 | 86.0° | 8.9° |
| C22 | N7 | S2 | O2 | 21.1° | 156.5° |
| C22 | N7 | S2 | O1 | 110.7° | 23.6° |
| N7 | C22 | C21 | H7 | 177.4° | 66.1° |
| N7 | C22 | C21 | H8 | 63.2° | 173.8° |
| N7 | C22 | H9 | H10 | 120.7° | 120.5° |
| C22 | N7 | C18 | H28 | 180.0° | 68.6° |
| C22 | N7 | C18 | H29 | 59.3° | 171.0° |
| H3 | C15 | C16 | H27 | 0.4° | 0.0° |
| H4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H7 | C21 | C22 | H9 | 57.6° | 174.2° |
| H7 | C21 | C22 | H10 | 62.9° | 53.8° |
| H8 | C21 | C22 | H9 | 177.0° | 54.1° |
| H8 | C21 | C22 | H10 | 56.6° | 66.3° |
| H11 | C24 | H12 | H13 | 120.0° | 120.0° |
| H14 | C26 | C27 | H34 | 2.2° | 0.3° |
| H15 | C1 | H16 | H17 | 120.0° | 120.0° |
| H15 | C1 | C2 | H18 | 59.9° | 60.0° |
| H15 | C1 | C2 | H19 | 59.9° | 180.0° |
| H16 | C1 | C2 | H18 | 179.9° | 180.0° |
| H16 | C1 | C2 | H19 | 60.1° | 60.0° |
| H17 | C1 | C2 | H18 | 60.1° | 60.0° |
| H17 | C1 | C2 | H19 | 179.9° | 60.0° |
| H18 | C2 | C3 | H20 | 174.0° | 62.8° |
| H18 | C2 | C3 | H21 | 67.1° | 177.2° |
| H19 | C2 | C3 | H20 | 54.2° | 177.2° |
| H19 | C2 | C3 | H21 | 173.1° | 57.2° |
| H28 | C18 | C19 | H30 | 55.7° | 54.1° |
| H28 | C18 | C19 | H31 | 63.5° | 174.2° |
| H29 | C18 | C19 | H30 | 176.4° | 66.4° |
| H29 | C18 | C19 | H31 | 57.2° | 53.6° |
| H35 | C29 | H36 | H37 | 120.0° | 120.0° |
