J98
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | sing | 1.51Å | 1.49Å | |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | C9 | sing | 1.39Å | 1.33Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| C7 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| C7 | N4 | sing | 1.39Å | 1.33Å | |
| C6 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.46Å | |
| N2 | C5 | sing | 1.33Å | 1.39Å | Aromatic |
| N2 | C4 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| C3 | N1 | sing | 1.46Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.39Å | 1.33Å | |
| C4 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| N1 | C11 | sing | 1.40Å | 1.43Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C26 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.50Å | |
| F3 | C25 | sing | 1.40Å | 1.32Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| F2 | C25 | sing | 1.40Å | 1.32Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C25 | F1 | sing | 1.40Å | 1.33Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | N8 | sing | 1.47Å | 1.47Å | |
| C23 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | S2 | sing | 1.76Å | 1.78Å | |
| N8 | C21 | sing | 1.47Å | 1.47Å | |
| N8 | C19 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | N7 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | N7 | sing | 1.47Å | 1.47Å | |
| N7 | S2 | sing | 1.66Å | 1.64Å | |
| S2 | O1 | doub | 1.42Å | 1.44Å | |
| S2 | O2 | 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 | |
| C26 | 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 | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 121.2° | 119.9° |
| C29 | C28 | C11 | 121.0° | 119.9° |
| C28 | C29 | H32 | 109.5° | 109.5° |
| C28 | C29 | H33 | 109.5° | 109.4° |
| C28 | C29 | H34 | 109.5° | 109.4° |
| C27 | C28 | C11 | 117.8° | 120.2° |
| C28 | C27 | C26 | 121.4° | 120.2° |
| C28 | C27 | H31 | 119.3° | 119.9° |
| C28 | C11 | N1 | 119.2° | 120.0° |
| C28 | C11 | C12 | 120.3° | 120.0° |
| C27 | C26 | C13 | 121.4° | 120.0° |
| C27 | C26 | H11 | 119.3° | 120.1° |
| C26 | C27 | H31 | 119.3° | 119.9° |
| N5 | C9 | C8 | 120.8° | 120.4° |
| N5 | C9 | N6 | 117.7° | 120.4° |
| C9 | N5 | H21 | 109.5° | 120.0° |
| C9 | N5 | H22 | 109.5° | 120.0° |
| C8 | C9 | N6 | 121.5° | 119.2° |
| C9 | C8 | C7 | 116.0° | 118.4° |
| C9 | C8 | H1 | 122.0° | 120.8° |
| C9 | N6 | C6 | 118.5° | 120.8° |
| C8 | C7 | N3 | 121.7° | 119.1° |
| C8 | C7 | N4 | 121.6° | 120.4° |
| C7 | C8 | H1 | 122.0° | 120.7° |
| N6 | C6 | N3 | 123.1° | 121.7° |
| N6 | C6 | C5 | 118.8° | 119.2° |
| N3 | C7 | N4 | 116.7° | 120.5° |
| C7 | N3 | C6 | 119.1° | 120.8° |
| C7 | N4 | H19 | 109.5° | 120.0° |
| C7 | N4 | H20 | 109.5° | 120.0° |
| N3 | C6 | C5 | 118.1° | 119.1° |
| C6 | C5 | N2 | 122.1° | 122.3° |
| C6 | C5 | C10 | 124.1° | 122.4° |
| C5 | N2 | C4 | 110.2° | 116.8° |
| N2 | C5 | C10 | 113.8° | 115.3° |
| N2 | C4 | N1 | 124.0° | 125.2° |
| N2 | C4 | S1 | 115.8° | 109.5° |
| C5 | C10 | S1 | 111.8° | 108.3° |
| C5 | C10 | H2 | 124.1° | 125.9° |
| N1 | C3 | C2 | 113.9° | 109.5° |
| C3 | N1 | C4 | 120.5° | 120.1° |
| C3 | N1 | C11 | 119.5° | 120.0° |
| N1 | C3 | H17 | 108.4° | 109.4° |
| N1 | C3 | H18 | 108.3° | 109.5° |
| C3 | C2 | C1 | 111.3° | 109.5° |
| C3 | C2 | H15 | 109.0° | 109.5° |
| C3 | C2 | H16 | 109.0° | 109.5° |
| C2 | C3 | H17 | 108.3° | 109.5° |
| C2 | C3 | H18 | 108.3° | 109.5° |
| N1 | C4 | S1 | 120.0° | 125.3° |
| C4 | N1 | C11 | 120.0° | 120.0° |
| C4 | S1 | C10 | 88.1° | 90.1° |
| N1 | C11 | C12 | 120.2° | 120.0° |
| C11 | C12 | C13 | 121.6° | 119.8° |
| C11 | C12 | H23 | 119.2° | 120.1° |
| S1 | C10 | H2 | 124.1° | 125.9° |
| C26 | C13 | C12 | 117.4° | 119.8° |
| C26 | C13 | C14 | 123.2° | 120.1° |
| C13 | C26 | H11 | 119.3° | 119.9° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C1 | C2 | H15 | 109.0° | 109.5° |
| C1 | C2 | H16 | 109.0° | 109.5° |
| C12 | C13 | C14 | 119.4° | 120.1° |
| C13 | C12 | H23 | 119.2° | 120.1° |
| C13 | C14 | C15 | 119.3° | 120.1° |
| C13 | C14 | C24 | 121.6° | 120.1° |
| F3 | C25 | F2 | 103.2° | 109.5° |
| F3 | C25 | C24 | 114.2° | 109.5° |
| F3 | C25 | F1 | 107.4° | 109.4° |
| C15 | C14 | C24 | 118.6° | 119.8° |
| C14 | C15 | C16 | 121.3° | 119.9° |
| C14 | C15 | H3 | 119.3° | 120.1° |
| C14 | C24 | C25 | 120.5° | 120.1° |
| C14 | C24 | C23 | 119.7° | 119.9° |
| F2 | C25 | C24 | 113.3° | 109.5° |
| F2 | C25 | F1 | 105.7° | 109.5° |
| C24 | C25 | F1 | 112.1° | 109.5° |
| C25 | C24 | C23 | 119.8° | 120.1° |
| C15 | C16 | C17 | 119.7° | 120.2° |
| C16 | C15 | H3 | 119.4° | 120.0° |
| C15 | C16 | H24 | 120.2° | 119.9° |
| C24 | C23 | C17 | 120.9° | 120.1° |
| C24 | C23 | H30 | 119.6° | 119.9° |
| C16 | C17 | C23 | 119.7° | 120.2° |
| C16 | C17 | S2 | 120.9° | 119.9° |
| C17 | C16 | H24 | 120.1° | 119.9° |
| C20 | N8 | C21 | 112.6° | 111.0° |
| C20 | N8 | C19 | 112.5° | 111.0° |
| N8 | C20 | H4 | 109.5° | 109.5° |
| N8 | C20 | H5 | 109.5° | 109.5° |
| N8 | C20 | H6 | 109.4° | 109.5° |
| C23 | C17 | S2 | 119.4° | 119.9° |
| C17 | C23 | H30 | 119.5° | 119.9° |
| C17 | S2 | N7 | 107.9° | 107.2° |
| C17 | S2 | O1 | 110.5° | 106.4° |
| C17 | S2 | O2 | 106.8° | 106.4° |
| C21 | N8 | C19 | 110.3° | 111.2° |
| N8 | C21 | C22 | 111.8° | 109.4° |
| N8 | C21 | H7 | 108.9° | 109.5° |
| N8 | C21 | H8 | 108.9° | 109.5° |
| N8 | C19 | C18 | 112.1° | 109.4° |
| N8 | C19 | H27 | 108.8° | 109.5° |
| N8 | C19 | H28 | 108.8° | 109.5° |
| C21 | C22 | N7 | 110.2° | 108.5° |
| C22 | C21 | H7 | 108.9° | 109.5° |
| C22 | C21 | H8 | 108.9° | 109.5° |
| C21 | C22 | H9 | 109.3° | 109.6° |
| C21 | C22 | H10 | 109.3° | 109.6° |
| C22 | N7 | C18 | 112.3° | 118.2° |
| C22 | N7 | S2 | 116.7° | 120.9° |
| N7 | C22 | H9 | 109.3° | 109.6° |
| N7 | C22 | H10 | 109.3° | 109.6° |
| C19 | C18 | N7 | 108.5° | 108.6° |
| C19 | C18 | H25 | 109.7° | 109.6° |
| C19 | C18 | H26 | 109.7° | 109.6° |
| C18 | C19 | H27 | 108.8° | 109.5° |
| C18 | C19 | H28 | 108.8° | 109.5° |
| C18 | N7 | S2 | 116.8° | 120.9° |
| N7 | C18 | H25 | 109.7° | 109.6° |
| N7 | C18 | H26 | 109.7° | 109.6° |
| N7 | S2 | O1 | 106.4° | 106.4° |
| N7 | S2 | O2 | 105.2° | 106.4° |
| O1 | S2 | O2 | 119.4° | 123.1° |
| H4 | C20 | H5 | 109.4° | 109.4° |
| H4 | C20 | H6 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.4° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.8° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.4° | 109.5° |
| H15 | C2 | H16 | 109.4° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.4° |
| H19 | N4 | H20 | 109.5° | 119.9° |
| H21 | N5 | H22 | 109.5° | 120.0° |
| H25 | C18 | H26 | 109.4° | 109.8° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H32 | C29 | H34 | 109.4° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | C11 | 178.9° | 179.6° |
| C29 | C28 | C27 | C26 | 179.5° | 179.9° |
| C29 | C28 | C11 | N1 | 3.6° | 0.4° |
| C29 | C28 | C11 | C12 | 177.3° | 179.9° |
| C29 | C28 | C27 | H31 | 0.5° | 0.3° |
| C28 | C29 | H32 | H33 | 120.0° | 120.0° |
| C28 | C29 | H32 | H34 | 120.0° | 120.0° |
| C28 | C29 | H33 | H34 | 120.0° | 120.0° |
| C28 | C27 | C26 | H31 | 180.0° | 179.8° |
| C27 | C28 | C11 | N1 | 177.6° | 180.0° |
| C27 | C28 | C11 | C12 | 3.9° | 0.3° |
| C28 | C27 | C26 | C13 | 0.1° | 0.0° |
| C28 | C27 | C26 | H11 | 179.9° | 179.9° |
| C27 | C28 | C29 | H32 | 89.4° | 90.0° |
| C27 | C28 | C29 | H33 | 150.6° | 150.0° |
| C27 | C28 | C29 | H34 | 30.6° | 30.0° |
| C11 | C28 | C27 | C26 | 1.6° | 0.3° |
| C28 | C11 | N1 | C3 | 80.7° | 89.8° |
| C28 | C11 | N1 | C4 | 99.0° | 90.0° |
| C28 | C11 | N1 | C12 | 173.7° | 179.7° |
| C28 | C11 | C12 | C13 | 4.6° | 0.0° |
| C28 | C11 | C12 | H23 | 175.5° | 180.0° |
| C11 | C28 | C27 | H31 | 178.4° | 179.9° |
| C11 | C28 | C29 | H32 | 89.4° | 89.7° |
| C11 | C28 | C29 | H33 | 30.6° | 30.3° |
| C11 | C28 | C29 | H34 | 150.6° | 150.3° |
| C27 | C26 | C13 | H11 | 180.0° | 179.9° |
| C27 | C26 | C13 | C12 | 0.4° | 0.3° |
| C27 | C26 | C13 | C14 | 178.9° | 180.0° |
| N5 | C9 | C8 | N6 | 177.0° | 179.9° |
| N5 | C9 | C8 | C7 | 179.9° | 180.0° |
| N5 | C9 | N6 | C6 | 179.5° | 180.0° |
| N5 | C9 | C8 | H1 | 0.1° | 0.1° |
| C9 | N5 | H21 | H22 | 120.0° | 180.0° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C8 | C9 | N6 | C6 | 3.5° | 0.0° |
| C9 | C8 | C7 | N3 | 3.1° | 0.0° |
| C9 | C8 | C7 | N4 | 179.1° | 180.0° |
| C8 | C9 | N5 | H21 | 177.1° | 0.0° |
| C8 | C9 | N5 | H22 | 57.1° | 180.0° |
| N6 | C9 | C8 | C7 | 3.1° | 0.0° |
| C9 | N6 | C6 | N3 | 3.8° | 0.0° |
| C9 | N6 | C6 | C5 | 179.3° | 180.0° |
| N6 | C9 | C8 | H1 | 176.9° | 180.0° |
| N6 | C9 | N5 | H21 | 0.0° | 179.9° |
| N6 | C9 | N5 | H22 | 120.0° | 0.0° |
| C8 | C7 | N3 | N4 | 177.8° | 180.0° |
| C8 | C7 | N3 | C6 | 3.5° | 0.0° |
| C8 | C7 | N4 | H19 | 177.8° | 179.9° |
| C8 | C7 | N4 | H20 | 62.1° | 0.0° |
| N6 | C6 | N3 | C7 | 3.8° | 0.0° |
| N6 | C6 | N3 | C5 | 176.9° | 180.0° |
| N6 | C6 | C5 | N2 | 161.2° | 0.1° |
| N6 | C6 | C5 | C10 | 17.9° | 180.0° |
| C7 | N3 | C6 | C5 | 179.3° | 180.0° |
| N3 | C7 | C8 | H1 | 176.9° | 180.0° |
| N3 | C7 | N4 | H19 | 0.0° | 0.1° |
| N3 | C7 | N4 | H20 | 120.0° | 180.0° |
| N4 | C7 | N3 | C6 | 178.7° | 180.0° |
| N4 | C7 | C8 | H1 | 0.9° | 0.0° |
| C7 | N4 | H19 | H20 | 120.0° | 179.9° |
| N3 | C6 | C5 | N2 | 15.9° | 179.9° |
| N3 | C6 | C5 | C10 | 165.1° | 0.0° |
| C6 | C5 | N2 | C10 | 179.1° | 179.9° |
| C6 | C5 | N2 | C4 | 175.4° | 179.8° |
| C6 | C5 | C10 | S1 | 178.9° | 180.0° |
| C6 | C5 | C10 | H2 | 1.1° | 0.0° |
| C5 | N2 | C4 | N1 | 178.1° | 180.0° |
| C5 | N2 | C4 | S1 | 6.7° | 0.3° |
| N2 | C5 | C10 | S1 | 2.0° | 0.1° |
| N2 | C5 | C10 | H2 | 178.0° | 179.9° |
| C4 | N2 | C5 | C10 | 5.5° | 0.2° |
| N2 | C4 | N1 | C3 | 11.0° | 0.6° |
| N2 | C4 | N1 | S1 | 175.0° | 179.7° |
| N2 | C4 | N1 | C11 | 168.6° | 179.7° |
| N2 | C4 | S1 | C10 | 4.8° | 0.3° |
| C5 | C10 | S1 | C4 | 1.4° | 0.2° |
| C5 | C10 | S1 | H2 | 180.0° | 180.0° |
| N1 | C3 | C2 | H17 | 120.7° | 120.0° |
| N1 | C3 | C2 | H18 | 120.6° | 120.0° |
| C3 | N1 | C4 | C11 | 179.6° | 179.8° |
| C3 | N1 | C4 | S1 | 173.9° | 179.8° |
| C3 | N1 | C11 | C12 | 105.6° | 90.5° |
| N1 | C3 | C2 | C1 | 179.7° | 180.0° |
| N1 | C3 | C2 | H15 | 59.4° | 60.0° |
| N1 | C3 | C2 | H16 | 60.0° | 60.0° |
| N1 | C3 | H17 | H18 | 118.0° | 120.0° |
| C2 | C3 | N1 | C4 | 85.2° | 90.3° |
| C2 | C3 | N1 | C11 | 95.2° | 90.0° |
| 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° | 60.0° |
| C3 | C2 | C1 | H14 | 60.0° | 180.0° |
| C3 | C2 | H15 | H16 | 119.2° | 120.0° |
| C2 | C3 | H17 | H18 | 118.0° | 120.0° |
| C4 | N1 | C11 | C12 | 74.7° | 89.7° |
| N1 | C4 | S1 | C10 | 179.7° | 180.0° |
| C4 | N1 | C3 | H17 | 35.4° | 29.8° |
| C4 | N1 | C3 | H18 | 154.2° | 149.7° |
| S1 | C4 | N1 | C11 | 6.4° | 0.0° |
| C4 | S1 | C10 | H2 | 178.6° | 179.8° |
| N1 | C11 | C12 | C13 | 178.2° | 179.7° |
| C11 | N1 | C3 | H17 | 144.2° | 150.0° |
| C11 | N1 | C3 | H18 | 25.5° | 30.0° |
| N1 | C11 | C12 | H23 | 1.8° | 0.3° |
| C11 | C12 | C13 | C26 | 2.8° | 0.3° |
| C11 | C12 | C13 | H23 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 178.7° | 179.9° |
| C26 | C13 | C12 | C14 | 178.5° | 179.7° |
| C26 | C13 | C14 | C15 | 103.0° | 121.4° |
| C26 | C13 | C14 | C24 | 85.0° | 58.5° |
| C26 | C13 | C12 | H23 | 177.3° | 179.7° |
| C13 | C26 | C27 | H31 | 179.9° | 179.8° |
| 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 | 119.1° | 120.0° |
| C1 | C2 | C3 | H17 | 59.6° | 60.0° |
| C1 | C2 | C3 | H18 | 59.1° | 60.0° |
| C12 | C13 | C14 | C15 | 75.4° | 58.3° |
| C12 | C13 | C14 | C24 | 96.6° | 121.7° |
| C12 | C13 | C26 | H11 | 179.6° | 179.7° |
| C13 | C14 | C15 | C24 | 172.2° | 179.9° |
| C13 | C14 | C24 | C25 | 3.4° | 0.2° |
| C13 | C14 | C15 | C16 | 176.0° | 180.0° |
| C13 | C14 | C24 | C23 | 175.9° | 179.4° |
| C13 | C14 | C15 | H3 | 4.0° | 0.3° |
| C14 | C13 | C26 | H11 | 1.1° | 0.0° |
| C14 | C13 | C12 | H23 | 1.2° | 0.0° |
| F3 | C25 | C24 | C14 | 60.5° | 54.2° |
| F3 | C25 | F2 | C24 | 124.1° | 120.0° |
| F3 | C25 | F2 | F1 | 112.7° | 120.0° |
| F3 | C25 | C24 | F1 | 122.5° | 120.0° |
| F3 | C25 | C24 | C23 | 120.2° | 126.6° |
| C15 | C14 | C24 | C25 | 175.5° | 179.7° |
| C14 | C15 | C16 | H3 | 180.0° | 179.7° |
| C15 | C14 | C24 | C23 | 3.8° | 0.5° |
| C14 | C15 | C16 | C17 | 1.6° | 0.3° |
| C14 | C15 | C16 | H24 | 178.4° | 179.7° |
| C14 | C24 | C25 | F2 | 57.4° | 65.8° |
| C14 | C24 | C25 | C23 | 179.3° | 179.2° |
| C14 | C24 | C25 | F1 | 177.0° | 174.1° |
| C24 | C14 | C15 | C16 | 3.8° | 0.1° |
| C14 | C24 | C23 | C17 | 1.8° | 0.8° |
| C24 | C14 | C15 | H3 | 176.2° | 179.7° |
| C14 | C24 | C23 | H30 | 178.2° | 179.9° |
| F2 | C25 | C24 | F1 | 119.6° | 120.0° |
| F2 | C25 | C24 | C23 | 121.9° | 113.3° |
| C25 | C24 | C23 | C17 | 177.5° | 180.0° |
| C25 | C24 | C23 | H30 | 2.5° | 0.9° |
| F1 | C25 | C24 | C23 | 2.3° | 6.7° |
| C15 | C16 | C17 | H24 | 180.0° | 180.0° |
| C15 | C16 | C17 | C23 | 0.5° | 0.0° |
| C15 | C16 | C17 | S2 | 178.9° | 180.0° |
| C24 | C23 | C17 | C16 | 0.3° | 0.6° |
| C24 | C23 | C17 | H30 | 180.0° | 179.1° |
| C24 | C23 | C17 | S2 | 178.8° | 179.5° |
| C16 | C17 | C23 | S2 | 178.5° | 179.9° |
| C16 | C17 | S2 | N7 | 97.4° | 90.0° |
| C16 | C17 | S2 | O1 | 18.5° | 156.5° |
| C16 | C17 | S2 | O2 | 149.9° | 23.6° |
| C17 | C16 | C15 | H3 | 178.4° | 180.0° |
| C16 | C17 | C23 | H30 | 179.7° | 179.7° |
| C20 | N8 | C21 | C19 | 126.6° | 124.2° |
| C20 | N8 | C21 | C22 | 71.3° | 172.7° |
| C20 | N8 | C19 | C18 | 69.2° | 172.8° |
| N8 | C20 | H4 | H5 | 120.0° | 120.0° |
| N8 | C20 | H4 | H6 | 120.0° | 120.0° |
| N8 | C20 | H5 | H6 | 120.0° | 120.0° |
| C20 | N8 | C21 | H7 | 168.4° | 67.2° |
| C20 | N8 | C21 | H8 | 49.1° | 52.8° |
| C20 | N8 | C19 | H27 | 51.2° | 52.8° |
| C20 | N8 | C19 | H28 | 170.4° | 67.2° |
| C23 | C17 | S2 | N7 | 84.1° | 90.0° |
| C23 | C17 | S2 | O1 | 159.9° | 23.6° |
| C23 | C17 | S2 | O2 | 28.6° | 156.5° |
| C23 | C17 | C16 | H24 | 179.5° | 180.0° |
| C17 | S2 | N7 | C22 | 70.2° | 90.0° |
| C17 | S2 | N7 | C18 | 66.7° | 89.9° |
| C17 | S2 | N7 | O1 | 118.6° | 113.6° |
| C17 | S2 | N7 | O2 | 113.7° | 113.5° |
| C17 | S2 | O1 | O2 | 124.3° | 122.9° |
| S2 | C17 | C16 | H24 | 1.1° | 0.1° |
| S2 | C17 | C23 | H30 | 1.2° | 0.4° |
| N8 | C21 | C22 | H7 | 120.4° | 120.0° |
| N8 | C21 | C22 | H8 | 120.4° | 120.0° |
| N8 | C21 | C22 | N7 | 54.6° | 53.9° |
| C21 | N8 | C19 | C18 | 57.5° | 63.1° |
| C21 | N8 | C20 | H4 | 180.0° | 60.0° |
| C21 | N8 | C20 | H5 | 60.0° | 180.0° |
| C21 | N8 | C20 | H6 | 60.0° | 60.0° |
| N8 | C21 | H7 | H8 | 118.9° | 120.0° |
| N8 | C21 | C22 | H9 | 174.7° | 65.8° |
| N8 | C21 | C22 | H10 | 65.5° | 173.6° |
| C21 | N8 | C19 | H27 | 177.8° | 176.9° |
| C21 | N8 | C19 | H28 | 62.9° | 56.9° |
| C19 | N8 | C21 | C22 | 55.3° | 63.1° |
| N8 | C19 | C18 | H27 | 120.4° | 120.0° |
| N8 | C19 | C18 | H28 | 120.4° | 120.0° |
| N8 | C19 | C18 | N7 | 57.8° | 53.8° |
| C19 | N8 | C20 | H4 | 54.6° | 175.7° |
| C19 | N8 | C20 | H5 | 65.4° | 55.7° |
| C19 | N8 | C20 | H6 | 174.6° | 64.3° |
| C19 | N8 | C21 | H7 | 65.0° | 56.9° |
| C19 | N8 | C21 | H8 | 175.7° | 176.9° |
| N8 | C19 | C18 | H25 | 62.1° | 65.9° |
| N8 | C19 | C18 | H26 | 177.6° | 173.5° |
| N8 | C19 | H27 | H28 | 118.8° | 120.1° |
| C21 | C22 | N7 | H9 | 120.1° | 119.7° |
| C21 | C22 | N7 | H10 | 120.1° | 119.7° |
| C21 | C22 | N7 | C18 | 56.3° | 51.1° |
| C21 | C22 | N7 | S2 | 165.0° | 128.8° |
| C22 | C21 | H7 | H8 | 118.9° | 120.0° |
| C21 | C22 | H9 | H10 | 119.7° | 120.5° |
| C22 | N7 | C18 | C19 | 57.2° | 51.1° |
| C22 | N7 | C18 | S2 | 138.7° | 179.9° |
| C22 | N7 | S2 | O1 | 48.4° | 23.6° |
| C22 | N7 | S2 | O2 | 176.1° | 156.5° |
| N7 | C22 | C21 | H7 | 65.8° | 66.2° |
| N7 | C22 | C21 | H8 | 175.0° | 173.8° |
| N7 | C22 | H9 | H10 | 119.7° | 120.5° |
| C22 | N7 | C18 | H25 | 62.7° | 68.6° |
| C22 | N7 | C18 | H26 | 177.0° | 170.9° |
| C19 | C18 | N7 | H25 | 119.9° | 119.7° |
| C19 | C18 | N7 | H26 | 119.8° | 119.7° |
| C19 | C18 | N7 | S2 | 164.1° | 128.8° |
| C19 | C18 | H25 | H26 | 120.4° | 120.5° |
| C18 | C19 | H27 | H28 | 118.8° | 120.0° |
| C18 | N7 | S2 | O1 | 174.8° | 156.5° |
| C18 | N7 | S2 | O2 | 47.1° | 23.6° |
| C18 | N7 | C22 | H9 | 176.4° | 68.6° |
| C18 | N7 | C22 | H10 | 63.9° | 170.9° |
| N7 | C18 | H25 | H26 | 120.5° | 120.5° |
| N7 | C18 | C19 | H27 | 178.2° | 173.8° |
| N7 | C18 | C19 | H28 | 62.6° | 66.2° |
| N7 | S2 | O1 | O2 | 118.7° | 122.9° |
| S2 | N7 | C22 | H9 | 44.9° | 111.5° |
| S2 | N7 | C22 | H10 | 74.8° | 9.0° |
| S2 | N7 | C18 | H25 | 76.0° | 111.5° |
| S2 | N7 | C18 | H26 | 44.3° | 9.0° |
| H3 | C15 | C16 | H24 | 1.6° | 0.0° |
| H4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H7 | C21 | C22 | H9 | 54.3° | 174.1° |
| H7 | C21 | C22 | H10 | 174.2° | 53.6° |
| H8 | C21 | C22 | H9 | 64.9° | 54.1° |
| H8 | C21 | C22 | H10 | 54.9° | 66.5° |
| H11 | C26 | C27 | H31 | 0.1° | 0.2° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H12 | C1 | C2 | H15 | 59.7° | 60.0° |
| H12 | C1 | C2 | H16 | 59.7° | 179.9° |
| H13 | C1 | C2 | H15 | 179.7° | 180.0° |
| H13 | C1 | C2 | H16 | 60.3° | 60.0° |
| H14 | C1 | C2 | H15 | 60.3° | 60.0° |
| H14 | C1 | C2 | H16 | 179.7° | 60.0° |
| H15 | C2 | C3 | H17 | 179.9° | 60.0° |
| H15 | C2 | C3 | H18 | 61.2° | 180.0° |
| H16 | C2 | C3 | H17 | 60.6° | 180.0° |
| H16 | C2 | C3 | H18 | 179.3° | 60.0° |
| H25 | C18 | C19 | H27 | 58.3° | 54.1° |
| H25 | C18 | C19 | H28 | 177.5° | 174.1° |
| H26 | C18 | C19 | H27 | 62.0° | 66.5° |
| H26 | C18 | C19 | H28 | 57.2° | 53.6° |
| H32 | C29 | H33 | H34 | 120.0° | 120.0° |
