J29
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.51Å | 1.48Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C9 | sing | 1.39Å | 1.34Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| N6 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| C7 | N4 | sing | 1.39Å | 1.33Å | |
| C7 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| C6 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.45Å | |
| C11 | N1 | sing | 1.40Å | 1.43Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N2 | sing | 1.33Å | 1.39Å | Aromatic |
| C5 | C10 | doub | 1.35Å | 1.37Å | Aromatic |
| C3 | N1 | sing | 1.46Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| N2 | C4 | doub | 1.30Å | 1.30Å | Aromatic |
| N1 | C4 | sing | 1.39Å | 1.36Å | |
| C4 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| 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 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | N8 | sing | 1.47Å | 1.47Å | |
| C23 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N9 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | N8 | sing | 1.47Å | 1.46Å | |
| C22 | N7 | sing | 1.47Å | 1.48Å | |
| N8 | C19 | sing | 1.47Å | 1.46Å | |
| C17 | S2 | sing | 1.76Å | 1.78Å | |
| N7 | C18 | sing | 1.47Å | 1.48Å | |
| N7 | S2 | sing | 1.66Å | 1.64Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| S2 | O2 | doub | 1.42Å | 1.43Å | |
| S2 | O1 | doub | 1.42Å | 1.43Å | |
| 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 | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 121.6° | 119.9° |
| C27 | C26 | C11 | 120.7° | 119.9° |
| C26 | C27 | H32 | 109.5° | 109.5° |
| C26 | C27 | H33 | 109.5° | 109.5° |
| C26 | C27 | H34 | 109.5° | 109.5° |
| C26 | C25 | C24 | 120.7° | 120.1° |
| C25 | C26 | C11 | 117.6° | 120.2° |
| C26 | C25 | H31 | 119.6° | 119.9° |
| C25 | C24 | C13 | 121.4° | 120.1° |
| C25 | C24 | H11 | 119.3° | 120.0° |
| C24 | C25 | H31 | 119.6° | 120.0° |
| C26 | C11 | N1 | 119.2° | 120.0° |
| C26 | C11 | C12 | 121.7° | 120.0° |
| N5 | C9 | C8 | 120.6° | 120.5° |
| N5 | C9 | N6 | 118.4° | 120.4° |
| C9 | N5 | H21 | 109.5° | 119.9° |
| C9 | N5 | H22 | 109.4° | 120.0° |
| C8 | C9 | N6 | 120.9° | 119.2° |
| C9 | C8 | C7 | 116.8° | 118.5° |
| C9 | C8 | H1 | 121.6° | 120.8° |
| C9 | N6 | C6 | 118.8° | 120.8° |
| C8 | C7 | N4 | 120.4° | 120.4° |
| C8 | C7 | N3 | 121.7° | 119.1° |
| C7 | C8 | H1 | 121.6° | 120.8° |
| C24 | C13 | C12 | 118.0° | 119.8° |
| C24 | C13 | C14 | 121.6° | 120.1° |
| C13 | C24 | H11 | 119.3° | 120.0° |
| N6 | C6 | N3 | 123.8° | 121.7° |
| N6 | C6 | C5 | 118.3° | 119.1° |
| N4 | C7 | N3 | 117.8° | 120.5° |
| C7 | N4 | H19 | 109.5° | 120.0° |
| C7 | N4 | H20 | 109.4° | 120.0° |
| C7 | N3 | C6 | 118.0° | 120.8° |
| N3 | C6 | C5 | 118.0° | 119.2° |
| C6 | C5 | N2 | 119.3° | 122.4° |
| C6 | C5 | C10 | 125.8° | 122.4° |
| N1 | C11 | C12 | 119.0° | 120.0° |
| C11 | N1 | C3 | 117.9° | 120.0° |
| C11 | N1 | C4 | 118.7° | 120.0° |
| C11 | C12 | C13 | 120.5° | 119.8° |
| C11 | C12 | H23 | 119.8° | 120.1° |
| N2 | C5 | C10 | 114.8° | 115.2° |
| C5 | N2 | C4 | 110.4° | 116.9° |
| C5 | C10 | S1 | 110.3° | 108.3° |
| C5 | C10 | H2 | 124.9° | 125.9° |
| N1 | C3 | C2 | 113.0° | 109.5° |
| C3 | N1 | C4 | 123.3° | 120.0° |
| N1 | C3 | H17 | 108.6° | 109.5° |
| N1 | C3 | H18 | 108.6° | 109.5° |
| C3 | C2 | C1 | 111.6° | 109.5° |
| C3 | C2 | H15 | 108.9° | 109.5° |
| C3 | C2 | H16 | 109.0° | 109.4° |
| C2 | C3 | H17 | 108.6° | 109.5° |
| C2 | C3 | H18 | 108.6° | 109.5° |
| N2 | C4 | N1 | 121.5° | 125.2° |
| N2 | C4 | S1 | 115.5° | 109.5° |
| N1 | C4 | S1 | 122.8° | 125.3° |
| C4 | S1 | C10 | 88.8° | 90.1° |
| S1 | C10 | H2 | 124.8° | 125.9° |
| C12 | C13 | C14 | 120.4° | 120.1° |
| C13 | C12 | H23 | 119.7° | 120.1° |
| C13 | C14 | C15 | 120.2° | 120.6° |
| C13 | C14 | C23 | 123.1° | 120.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C1 | C2 | H15 | 108.9° | 109.5° |
| C1 | C2 | H16 | 108.9° | 109.5° |
| C15 | C14 | C23 | 116.7° | 118.9° |
| C14 | C15 | C16 | 120.8° | 118.3° |
| C14 | C15 | H3 | 119.6° | 120.8° |
| C14 | C23 | N9 | 123.1° | 120.6° |
| C14 | C23 | H30 | 118.4° | 119.7° |
| C15 | C16 | C17 | 117.6° | 119.3° |
| C16 | C15 | H3 | 119.6° | 120.9° |
| C15 | C16 | H24 | 121.2° | 120.3° |
| C20 | N8 | C21 | 112.1° | 111.0° |
| C20 | N8 | C19 | 112.6° | 111.0° |
| N8 | C20 | H4 | 109.5° | 109.5° |
| N8 | C20 | H5 | 109.5° | 109.5° |
| N8 | C20 | H6 | 109.5° | 109.5° |
| C23 | N9 | C17 | 118.1° | 121.8° |
| N9 | C23 | H30 | 118.5° | 119.7° |
| C16 | C17 | N9 | 123.6° | 121.0° |
| C16 | C17 | S2 | 119.3° | 119.5° |
| C17 | C16 | H24 | 121.2° | 120.3° |
| N9 | C17 | S2 | 117.0° | 119.5° |
| C22 | C21 | N8 | 111.7° | 109.3° |
| C21 | C22 | N7 | 109.7° | 108.5° |
| C22 | C21 | H7 | 108.9° | 109.5° |
| C22 | C21 | H8 | 108.9° | 109.6° |
| C21 | C22 | H9 | 109.4° | 109.6° |
| C21 | C22 | H10 | 109.4° | 109.6° |
| C21 | N8 | C19 | 109.8° | 111.3° |
| N8 | C21 | H7 | 108.9° | 109.5° |
| N8 | C21 | H8 | 108.9° | 109.5° |
| C22 | N7 | C18 | 112.2° | 118.3° |
| C22 | N7 | S2 | 117.1° | 120.9° |
| N7 | C22 | H9 | 109.4° | 109.6° |
| N7 | C22 | H10 | 109.4° | 109.6° |
| N8 | C19 | C18 | 111.9° | 109.3° |
| N8 | C19 | H27 | 108.9° | 109.5° |
| N8 | C19 | H28 | 108.9° | 109.5° |
| C17 | S2 | N7 | 107.0° | 107.2° |
| C17 | S2 | O2 | 105.5° | 106.4° |
| C17 | S2 | O1 | 109.5° | 106.4° |
| C18 | N7 | S2 | 118.2° | 120.8° |
| N7 | C18 | C19 | 109.9° | 108.5° |
| N7 | C18 | H25 | 109.3° | 109.6° |
| N7 | C18 | H26 | 109.4° | 109.6° |
| N7 | S2 | O2 | 106.2° | 106.4° |
| N7 | S2 | O1 | 106.3° | 106.4° |
| C19 | C18 | H25 | 109.4° | 109.6° |
| C19 | C18 | H26 | 109.3° | 109.8° |
| C18 | C19 | H27 | 108.9° | 109.5° |
| C18 | C19 | H28 | 108.9° | 109.4° |
| O2 | S2 | O1 | 121.5° | 123.2° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H4 | C20 | H6 | 109.5° | 109.4° |
| H5 | C20 | H6 | 109.4° | 109.4° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.8° |
| H12 | C1 | H13 | 109.4° | 109.4° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.4° | 109.4° |
| H19 | N4 | H20 | 109.5° | 120.0° |
| H21 | N5 | H22 | 109.5° | 120.0° |
| H25 | C18 | H26 | 109.5° | 109.6° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.4° | 109.5° |
| H32 | C27 | H34 | 109.4° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | C11 | 178.7° | 179.5° |
| C27 | C26 | C25 | C24 | 176.8° | 179.8° |
| C27 | C26 | C11 | N1 | 0.2° | 0.5° |
| C27 | C26 | C11 | C12 | 177.0° | 180.0° |
| C27 | C26 | C25 | H31 | 3.2° | 0.5° |
| C26 | C27 | H32 | H33 | 120.0° | 120.0° |
| C26 | C27 | H32 | H34 | 120.0° | 120.0° |
| C26 | C27 | H33 | H34 | 120.0° | 120.0° |
| C26 | C25 | C24 | H31 | 180.0° | 179.7° |
| C26 | C25 | C24 | C13 | 1.7° | 0.0° |
| C25 | C26 | C11 | N1 | 178.9° | 180.0° |
| C25 | C26 | C11 | C12 | 1.7° | 0.6° |
| C26 | C25 | C24 | H11 | 178.4° | 180.0° |
| C25 | C26 | C27 | H32 | 90.7° | 90.8° |
| C25 | C26 | C27 | H33 | 149.3° | 29.2° |
| C25 | C26 | C27 | H34 | 29.3° | 149.1° |
| C24 | C25 | C26 | C11 | 1.8° | 0.3° |
| C25 | C24 | C13 | H11 | 180.0° | 180.0° |
| C25 | C24 | C13 | C12 | 1.2° | 0.0° |
| C25 | C24 | C13 | C14 | 175.8° | 179.7° |
| C26 | C11 | N1 | C12 | 177.3° | 179.5° |
| C26 | C11 | N1 | C3 | 79.6° | 89.6° |
| C26 | C11 | N1 | C4 | 96.6° | 90.7° |
| C26 | C11 | C12 | C13 | 1.3° | 0.6° |
| C26 | C11 | C12 | H23 | 178.7° | 179.5° |
| C11 | C26 | C25 | H31 | 178.1° | 180.0° |
| C11 | C26 | C27 | H32 | 90.7° | 88.6° |
| C11 | C26 | C27 | H33 | 29.3° | 151.3° |
| C11 | C26 | C27 | H34 | 149.3° | 31.4° |
| N5 | C9 | C8 | N6 | 176.8° | 179.9° |
| N5 | C9 | C8 | C7 | 179.4° | 179.9° |
| N5 | C9 | N6 | C6 | 179.6° | 180.0° |
| N5 | C9 | C8 | H1 | 0.6° | 0.0° |
| C9 | N5 | H21 | H22 | 120.0° | 179.9° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C8 | C9 | N6 | C6 | 2.8° | 0.0° |
| C9 | C8 | C7 | N4 | 179.9° | 180.0° |
| C9 | C8 | C7 | N3 | 2.8° | 0.0° |
| C8 | C9 | N5 | H21 | 176.8° | 0.1° |
| C8 | C9 | N5 | H22 | 56.8° | 180.0° |
| N6 | C9 | C8 | C7 | 3.9° | 0.0° |
| C9 | N6 | C6 | N3 | 0.5° | 0.1° |
| C9 | N6 | C6 | C5 | 179.1° | 180.0° |
| N6 | C9 | C8 | H1 | 176.1° | 180.0° |
| N6 | C9 | N5 | H21 | 0.0° | 180.0° |
| N6 | C9 | N5 | H22 | 120.0° | 0.1° |
| C8 | C7 | N4 | N3 | 177.2° | 180.0° |
| C8 | C7 | N3 | C6 | 0.7° | 0.1° |
| C8 | C7 | N4 | H19 | 177.2° | 180.0° |
| C8 | C7 | N4 | H20 | 62.8° | 0.1° |
| C24 | C13 | C12 | C11 | 1.0° | 0.3° |
| C24 | C13 | C12 | C14 | 177.0° | 179.7° |
| C24 | C13 | C14 | C15 | 60.6° | 0.3° |
| C24 | C13 | C14 | C23 | 120.4° | 179.8° |
| C24 | C13 | C12 | H23 | 179.0° | 179.7° |
| C13 | C24 | C25 | H31 | 178.3° | 179.7° |
| N6 | C6 | N3 | C7 | 0.5° | 0.1° |
| N6 | C6 | N3 | C5 | 179.7° | 179.9° |
| N6 | C6 | C5 | N2 | 170.4° | 0.0° |
| N6 | C6 | C5 | C10 | 13.5° | 179.8° |
| N4 | C7 | N3 | C6 | 177.9° | 179.9° |
| N4 | C7 | C8 | H1 | 0.1° | 0.0° |
| C7 | N4 | H19 | H20 | 120.0° | 179.9° |
| C7 | N3 | C6 | C5 | 179.8° | 180.0° |
| N3 | C7 | C8 | H1 | 177.2° | 180.0° |
| N3 | C7 | N4 | H19 | 0.0° | 0.0° |
| N3 | C7 | N4 | H20 | 120.0° | 179.9° |
| N3 | C6 | C5 | N2 | 9.9° | 180.0° |
| N3 | C6 | C5 | C10 | 166.2° | 0.2° |
| C6 | C5 | N2 | C10 | 176.5° | 179.8° |
| C6 | C5 | N2 | C4 | 179.1° | 180.0° |
| C6 | C5 | C10 | S1 | 179.7° | 179.8° |
| C6 | C5 | C10 | H2 | 0.3° | 0.2° |
| C11 | N1 | C3 | C4 | 176.0° | 179.7° |
| C11 | N1 | C3 | C2 | 95.2° | 94.5° |
| C11 | N1 | C4 | N2 | 166.3° | 180.0° |
| C11 | N1 | C4 | S1 | 8.1° | 0.3° |
| N1 | C11 | C12 | C13 | 178.5° | 180.0° |
| C11 | N1 | C3 | H17 | 144.3° | 25.6° |
| C11 | N1 | C3 | H18 | 25.4° | 145.5° |
| N1 | C11 | C12 | H23 | 1.5° | 0.0° |
| C12 | C11 | N1 | C3 | 103.1° | 91.0° |
| C12 | C11 | N1 | C4 | 80.8° | 88.7° |
| C11 | C12 | C13 | H23 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 176.0° | 180.0° |
| C5 | N2 | C4 | N1 | 172.0° | 180.0° |
| C5 | N2 | C4 | S1 | 2.7° | 0.3° |
| N2 | C5 | C10 | S1 | 4.0° | 0.1° |
| N2 | C5 | C10 | H2 | 175.9° | 180.0° |
| C10 | C5 | N2 | C4 | 4.4° | 0.1° |
| C5 | C10 | S1 | C4 | 2.0° | 0.2° |
| C5 | C10 | S1 | H2 | 180.0° | 179.9° |
| N1 | C3 | C2 | H17 | 120.5° | 120.1° |
| N1 | C3 | C2 | H18 | 120.5° | 120.0° |
| C3 | N1 | C4 | N2 | 9.7° | 0.3° |
| C3 | N1 | C4 | S1 | 175.9° | 180.0° |
| N1 | C3 | C2 | C1 | 173.2° | 177.2° |
| N1 | C3 | C2 | H15 | 52.9° | 57.2° |
| N1 | C3 | C2 | H16 | 66.4° | 62.8° |
| N1 | C3 | H17 | H18 | 118.4° | 120.0° |
| C2 | C3 | N1 | C4 | 88.8° | 85.2° |
| C3 | C2 | C1 | H15 | 120.3° | 120.0° |
| C3 | C2 | C1 | H16 | 120.3° | 120.0° |
| C3 | C2 | C1 | H12 | 180.0° | 60.0° |
| C3 | C2 | C1 | H13 | 60.0° | 180.0° |
| C3 | C2 | C1 | H14 | 60.0° | 60.0° |
| C3 | C2 | H15 | H16 | 119.0° | 120.0° |
| C2 | C3 | H17 | H18 | 118.4° | 120.0° |
| N2 | C4 | N1 | S1 | 174.4° | 179.6° |
| N2 | C4 | S1 | C10 | 0.4° | 0.3° |
| N1 | C4 | S1 | C10 | 174.3° | 180.0° |
| C4 | N1 | C3 | H17 | 31.7° | 154.7° |
| C4 | N1 | C3 | H18 | 150.6° | 34.8° |
| C4 | S1 | C10 | H2 | 178.0° | 179.8° |
| C12 | C13 | C14 | C15 | 116.3° | 180.0° |
| C12 | C13 | C14 | C23 | 62.7° | 0.1° |
| C12 | C13 | C24 | H11 | 178.8° | 180.0° |
| C13 | C14 | C15 | C23 | 179.1° | 179.9° |
| C13 | C14 | C15 | C16 | 179.6° | 179.9° |
| C13 | C14 | C23 | N9 | 180.0° | 180.0° |
| C13 | C14 | C15 | H3 | 0.4° | 0.3° |
| C14 | C13 | C24 | H11 | 4.2° | 0.3° |
| C14 | C13 | C12 | H23 | 4.0° | 0.0° |
| C13 | C14 | C23 | H30 | 0.0° | 0.1° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | H15 | H16 | 119.0° | 120.0° |
| C1 | C2 | C3 | H17 | 66.2° | 57.2° |
| C1 | C2 | C3 | H18 | 52.7° | 62.7° |
| C14 | C15 | C16 | H3 | 180.0° | 179.7° |
| C15 | C14 | C23 | N9 | 1.0° | 0.0° |
| C14 | C15 | C16 | C17 | 1.1° | 0.2° |
| C14 | C15 | C16 | H24 | 178.9° | 179.7° |
| C15 | C14 | C23 | H30 | 179.0° | 180.0° |
| C23 | C14 | C15 | C16 | 1.4° | 0.0° |
| C14 | C23 | N9 | H30 | 180.0° | 180.0° |
| C14 | C23 | N9 | C17 | 0.3° | 0.3° |
| C23 | C14 | C15 | H3 | 178.6° | 179.7° |
| C15 | C16 | C17 | H24 | 180.0° | 179.9° |
| C15 | C16 | C17 | N9 | 0.4° | 0.5° |
| C15 | C16 | C17 | S2 | 178.1° | 180.0° |
| C20 | N8 | C21 | C22 | 68.2° | 172.7° |
| C20 | N8 | C21 | C19 | 126.0° | 124.1° |
| C20 | N8 | C19 | C18 | 68.5° | 172.7° |
| N8 | C20 | H4 | H5 | 120.0° | 120.1° |
| N8 | C20 | H4 | H6 | 120.0° | 120.0° |
| N8 | C20 | H5 | H6 | 120.0° | 120.0° |
| C20 | N8 | C21 | H7 | 171.5° | 52.8° |
| C20 | N8 | C21 | H8 | 52.2° | 67.2° |
| C20 | N8 | C19 | H27 | 171.2° | 67.3° |
| C20 | N8 | C19 | H28 | 51.9° | 52.8° |
| C23 | N9 | C17 | C16 | 0.0° | 0.5° |
| C23 | N9 | C17 | S2 | 177.7° | 180.0° |
| C16 | C17 | N9 | S2 | 177.7° | 179.5° |
| C16 | C17 | S2 | N7 | 101.9° | 150.0° |
| C16 | C17 | S2 | O2 | 10.9° | 96.4° |
| C16 | C17 | S2 | O1 | 143.2° | 36.5° |
| C17 | C16 | C15 | H3 | 178.9° | 179.9° |
| N9 | C17 | S2 | N7 | 75.9° | 29.5° |
| N9 | C17 | S2 | O2 | 171.3° | 84.1° |
| N9 | C17 | S2 | O1 | 38.9° | 143.0° |
| N9 | C17 | C16 | H24 | 179.6° | 179.4° |
| C17 | N9 | C23 | H30 | 179.7° | 179.7° |
| C22 | C21 | N8 | H7 | 120.3° | 120.0° |
| C22 | C21 | N8 | H8 | 120.3° | 120.0° |
| C21 | C22 | N7 | H9 | 120.0° | 119.7° |
| C21 | C22 | N7 | H10 | 120.1° | 119.7° |
| C22 | C21 | N8 | C19 | 57.8° | 63.1° |
| C21 | C22 | N7 | C18 | 55.6° | 51.1° |
| C21 | C22 | N7 | S2 | 163.0° | 128.8° |
| C22 | C21 | H7 | H8 | 119.0° | 120.1° |
| C21 | C22 | H9 | H10 | 119.9° | 120.5° |
| N8 | C21 | C22 | N7 | 56.9° | 53.8° |
| C21 | N8 | C19 | C18 | 57.2° | 63.1° |
| C21 | N8 | C20 | H4 | 180.0° | 60.0° |
| C21 | N8 | C20 | H5 | 60.0° | 179.9° |
| C21 | N8 | C20 | H6 | 60.0° | 60.0° |
| N8 | C21 | H7 | H8 | 119.0° | 120.0° |
| N8 | C21 | C22 | H9 | 63.1° | 173.5° |
| N8 | C21 | C22 | H10 | 176.9° | 65.9° |
| C21 | N8 | C19 | H27 | 63.1° | 56.9° |
| C21 | N8 | C19 | H28 | 177.6° | 177.0° |
| C22 | N7 | S2 | C17 | 57.6° | 90.0° |
| C22 | N7 | C18 | S2 | 140.9° | 179.9° |
| C22 | N7 | C18 | C19 | 55.0° | 51.1° |
| C22 | N7 | S2 | O2 | 54.8° | 156.4° |
| C22 | N7 | S2 | O1 | 174.5° | 23.5° |
| N7 | C22 | C21 | H7 | 63.4° | 173.8° |
| N7 | C22 | C21 | H8 | 177.2° | 66.2° |
| N7 | C22 | H9 | H10 | 119.9° | 120.5° |
| C22 | N7 | C18 | H25 | 65.0° | 170.8° |
| C22 | N7 | C18 | H26 | 175.1° | 68.8° |
| N8 | C19 | C18 | N7 | 55.7° | 53.8° |
| N8 | C19 | C18 | H27 | 120.4° | 120.0° |
| N8 | C19 | C18 | H28 | 120.3° | 120.0° |
| C19 | N8 | C20 | H4 | 55.5° | 64.3° |
| C19 | N8 | C20 | H5 | 175.5° | 55.7° |
| C19 | N8 | C20 | H6 | 64.5° | 175.7° |
| C19 | N8 | C21 | H7 | 62.5° | 176.9° |
| C19 | N8 | C21 | H8 | 178.2° | 56.9° |
| N8 | C19 | C18 | H25 | 64.3° | 173.5° |
| N8 | C19 | C18 | H26 | 175.8° | 66.0° |
| N8 | C19 | H27 | H28 | 118.9° | 120.1° |
| C17 | S2 | N7 | C18 | 81.5° | 90.0° |
| C17 | S2 | N7 | O2 | 112.3° | 113.5° |
| C17 | S2 | N7 | O1 | 116.9° | 113.5° |
| C17 | S2 | O2 | O1 | 125.2° | 122.9° |
| S2 | C17 | C16 | H24 | 2.0° | 0.1° |
| N7 | C18 | C19 | H25 | 120.1° | 119.7° |
| N7 | C18 | C19 | H26 | 120.1° | 119.8° |
| C18 | N7 | S2 | O2 | 166.2° | 23.5° |
| C18 | N7 | S2 | O1 | 35.5° | 156.5° |
| C18 | N7 | C22 | H9 | 64.4° | 170.9° |
| C18 | N7 | C22 | H10 | 175.6° | 68.6° |
| N7 | C18 | H25 | H26 | 119.8° | 120.4° |
| N7 | C18 | C19 | H27 | 64.6° | 66.2° |
| N7 | C18 | C19 | H28 | 176.1° | 173.8° |
| S2 | N7 | C18 | C19 | 164.0° | 128.8° |
| N7 | S2 | O2 | O1 | 121.4° | 123.0° |
| S2 | N7 | C22 | H9 | 77.0° | 9.1° |
| S2 | N7 | C22 | H10 | 43.0° | 111.5° |
| S2 | N7 | C18 | H25 | 75.9° | 9.1° |
| S2 | N7 | C18 | H26 | 44.0° | 111.3° |
| C19 | C18 | H25 | H26 | 119.8° | 120.6° |
| C18 | C19 | H27 | H28 | 118.9° | 120.0° |
| H3 | C15 | C16 | H24 | 1.1° | 0.1° |
| H4 | C20 | H5 | H6 | 120.0° | 119.9° |
| H7 | C21 | C22 | H9 | 176.5° | 66.5° |
| H7 | C21 | C22 | H10 | 56.6° | 54.1° |
| H8 | C21 | C22 | H9 | 57.2° | 53.6° |
| H8 | C21 | C22 | H10 | 62.7° | 174.1° |
| H11 | C24 | C25 | H31 | 1.7° | 0.3° |
| H12 | C1 | H13 | H14 | 119.9° | 120.0° |
| H12 | C1 | C2 | H15 | 59.7° | 179.9° |
| H12 | C1 | C2 | H16 | 59.7° | 59.9° |
| H13 | C1 | C2 | H15 | 179.7° | 60.0° |
| H13 | C1 | C2 | H16 | 60.3° | 60.0° |
| H14 | C1 | C2 | H15 | 60.3° | 60.0° |
| H14 | C1 | C2 | H16 | 179.7° | 180.0° |
| H15 | C2 | C3 | H17 | 173.5° | 62.8° |
| H15 | C2 | C3 | H18 | 67.6° | 177.2° |
| H16 | C2 | C3 | H17 | 54.1° | 177.1° |
| H16 | C2 | C3 | H18 | 173.0° | 57.2° |
| H25 | C18 | C19 | H27 | 175.3° | 53.5° |
| H25 | C18 | C19 | H28 | 56.0° | 66.5° |
| H26 | C18 | C19 | H27 | 55.4° | 174.0° |
| H26 | C18 | C19 | H28 | 63.8° | 54.0° |
| H32 | C27 | H33 | H34 | 119.9° | 120.0° |
