J6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.51Å | 1.48Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N4 | C7 | sing | 1.39Å | 1.32Å | |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C25 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| C9 | N5 | sing | 1.39Å | 1.32Å | |
| C9 | N6 | doub | 1.33Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.46Å | |
| C11 | N1 | sing | 1.40Å | 1.42Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | N2 | sing | 1.33Å | 1.39Å | Aromatic |
| C5 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| N2 | C4 | doub | 1.30Å | 1.30Å | Aromatic |
| C3 | N1 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| N1 | C4 | sing | 1.39Å | 1.33Å | |
| C10 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C4 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C24 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | N8 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | N7 | sing | 1.47Å | 1.48Å | |
| C19 | N8 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | S2 | sing | 1.76Å | 1.76Å | |
| N8 | C21 | sing | 1.47Å | 1.47Å | |
| N7 | S2 | sing | 1.66Å | 1.65Å | |
| N7 | C22 | sing | 1.47Å | 1.48Å | |
| O1 | S2 | doub | 1.42Å | 1.43Å | |
| S2 | O2 | doub | 1.42Å | 1.43Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| C12 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 120.4° | 119.9° |
| C28 | C27 | C11 | 121.0° | 120.0° |
| C27 | C28 | H13 | 109.5° | 109.5° |
| C27 | C28 | H14 | 109.4° | 109.4° |
| C27 | C28 | H15 | 109.5° | 109.5° |
| C27 | C26 | C25 | 120.1° | 120.2° |
| C26 | C27 | C11 | 118.6° | 120.1° |
| C27 | C26 | H12 | 119.9° | 119.9° |
| C26 | C25 | C13 | 121.0° | 120.0° |
| C25 | C26 | H12 | 120.0° | 119.9° |
| C26 | C25 | H35 | 119.5° | 120.0° |
| C27 | C11 | N1 | 118.2° | 120.0° |
| C27 | C11 | C12 | 121.6° | 120.0° |
| N4 | C7 | C8 | 120.6° | 120.4° |
| N4 | C7 | N3 | 117.7° | 120.5° |
| C7 | N4 | H23 | 109.5° | 120.0° |
| C7 | N4 | H24 | 109.5° | 120.0° |
| C8 | C7 | N3 | 121.6° | 119.1° |
| C7 | C8 | C9 | 115.7° | 118.5° |
| C7 | C8 | H1 | 122.1° | 120.8° |
| C7 | N3 | C6 | 118.8° | 120.8° |
| C25 | C13 | C12 | 118.8° | 119.9° |
| C25 | C13 | C14 | 120.1° | 120.1° |
| C13 | C25 | H35 | 119.5° | 120.0° |
| C8 | C9 | N5 | 120.8° | 120.4° |
| C8 | C9 | N6 | 122.1° | 119.1° |
| C9 | C8 | H1 | 122.1° | 120.7° |
| N3 | C6 | N6 | 123.1° | 121.6° |
| N3 | C6 | C5 | 119.0° | 119.2° |
| N5 | C9 | N6 | 117.1° | 120.4° |
| C9 | N5 | H25 | 109.5° | 120.0° |
| C9 | N5 | H26 | 109.4° | 120.0° |
| C9 | N6 | C6 | 118.6° | 120.8° |
| N6 | C6 | C5 | 117.9° | 119.2° |
| C6 | C5 | N2 | 118.7° | 122.4° |
| C6 | C5 | C10 | 126.8° | 122.4° |
| N1 | C11 | C12 | 120.2° | 120.0° |
| C11 | N1 | C3 | 118.2° | 120.0° |
| C11 | N1 | C4 | 119.2° | 120.0° |
| C11 | C12 | C13 | 119.8° | 119.8° |
| C11 | C12 | H27 | 120.1° | 120.1° |
| N2 | C5 | C10 | 114.5° | 115.2° |
| C5 | N2 | C4 | 110.3° | 116.9° |
| C5 | C10 | S1 | 110.7° | 108.3° |
| C5 | C10 | H2 | 124.6° | 125.9° |
| N2 | C4 | N1 | 121.4° | 125.3° |
| N2 | C4 | S1 | 116.0° | 109.5° |
| N1 | C3 | C2 | 114.1° | 109.5° |
| C3 | N1 | C4 | 122.2° | 120.0° |
| N1 | C3 | H21 | 108.3° | 109.5° |
| N1 | C3 | H22 | 108.3° | 109.4° |
| C3 | C2 | C1 | 110.9° | 109.5° |
| C3 | C2 | H19 | 109.1° | 109.5° |
| C3 | C2 | H20 | 109.1° | 109.5° |
| C2 | C3 | H21 | 108.3° | 109.5° |
| C2 | C3 | H22 | 108.3° | 109.5° |
| N1 | C4 | S1 | 122.4° | 125.2° |
| C10 | S1 | C4 | 88.4° | 90.1° |
| S1 | C10 | H2 | 124.6° | 125.8° |
| C12 | C13 | C14 | 121.0° | 120.1° |
| C13 | C12 | H27 | 120.1° | 120.1° |
| C13 | C14 | C24 | 119.8° | 120.1° |
| C13 | C14 | C15 | 121.9° | 120.1° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C1 | C2 | H19 | 109.1° | 109.5° |
| C1 | C2 | H20 | 109.1° | 109.5° |
| C14 | C24 | C23 | 121.0° | 119.9° |
| C24 | C14 | C15 | 118.2° | 119.7° |
| C14 | C24 | H11 | 119.5° | 120.0° |
| C24 | C23 | C17 | 119.4° | 120.1° |
| C23 | C24 | H11 | 119.5° | 120.1° |
| C24 | C23 | H34 | 120.3° | 119.9° |
| C14 | C15 | C16 | 121.3° | 119.9° |
| C14 | C15 | H3 | 119.4° | 120.1° |
| C23 | C17 | C16 | 121.0° | 120.3° |
| C23 | C17 | S2 | 119.2° | 119.9° |
| C17 | C23 | H34 | 120.3° | 120.0° |
| C20 | N8 | C19 | 111.2° | 111.0° |
| C20 | N8 | C21 | 112.5° | 111.0° |
| N8 | C20 | H4 | 109.5° | 109.5° |
| N8 | C20 | H5 | 109.4° | 109.5° |
| N8 | C20 | H6 | 109.4° | 109.5° |
| C15 | C16 | C17 | 119.1° | 120.1° |
| C16 | C15 | H3 | 119.4° | 120.1° |
| C15 | C16 | H28 | 120.5° | 119.9° |
| C19 | C18 | N7 | 109.0° | 108.5° |
| C18 | C19 | N8 | 111.8° | 109.4° |
| C19 | C18 | H29 | 109.6° | 109.6° |
| C19 | C18 | H30 | 109.6° | 109.6° |
| C18 | C19 | H31 | 108.9° | 109.5° |
| C18 | C19 | H32 | 108.9° | 109.5° |
| C18 | N7 | S2 | 117.1° | 120.9° |
| C18 | N7 | C22 | 111.6° | 118.2° |
| N7 | C18 | H29 | 109.6° | 109.6° |
| N7 | C18 | H30 | 109.6° | 109.6° |
| C19 | N8 | C21 | 110.5° | 111.2° |
| N8 | C19 | H31 | 108.9° | 109.5° |
| N8 | C19 | H32 | 108.9° | 109.5° |
| C16 | C17 | S2 | 119.5° | 119.8° |
| C17 | C16 | H28 | 120.5° | 120.0° |
| C17 | S2 | N7 | 106.0° | 107.2° |
| C17 | S2 | O1 | 106.8° | 106.4° |
| C17 | S2 | O2 | 108.5° | 106.4° |
| N8 | C21 | C22 | 112.2° | 109.3° |
| N8 | C21 | H7 | 108.7° | 109.5° |
| N8 | C21 | H8 | 108.8° | 109.4° |
| S2 | N7 | C22 | 118.2° | 120.9° |
| N7 | S2 | O1 | 106.8° | 106.4° |
| N7 | S2 | O2 | 105.9° | 106.4° |
| N7 | C22 | C21 | 110.0° | 108.5° |
| N7 | C22 | H9 | 109.3° | 109.6° |
| N7 | C22 | H10 | 109.3° | 109.8° |
| O1 | S2 | O2 | 121.9° | 123.2° |
| C22 | C21 | H7 | 108.8° | 109.5° |
| C22 | C21 | H8 | 108.8° | 109.5° |
| C21 | C22 | H9 | 109.3° | 109.6° |
| C21 | C22 | H10 | 109.3° | 109.6° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H4 | C20 | H6 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.6° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H13 | C28 | H15 | 109.5° | 109.5° |
| H14 | C28 | H15 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.4° | 109.5° |
| H16 | C1 | H18 | 109.5° | 109.4° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H19 | C2 | H20 | 109.5° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.5° |
| H23 | N4 | H24 | 109.4° | 120.0° |
| H25 | N5 | H26 | 109.5° | 120.0° |
| H29 | C18 | H30 | 109.5° | 109.8° |
| H31 | C19 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | C11 | 179.9° | 179.8° |
| C28 | C27 | C26 | C25 | 177.9° | 180.0° |
| C28 | C27 | C11 | N1 | 1.0° | 0.3° |
| C28 | C27 | C11 | C12 | 178.9° | 179.7° |
| C28 | C27 | C26 | H12 | 2.1° | 0.2° |
| C27 | C28 | H13 | H14 | 120.0° | 120.0° |
| C27 | C28 | H13 | H15 | 120.0° | 120.0° |
| C27 | C28 | H14 | H15 | 120.0° | 120.0° |
| C27 | C26 | C25 | H12 | 180.0° | 179.8° |
| C27 | C26 | C25 | C13 | 3.0° | 0.1° |
| C26 | C27 | C11 | N1 | 179.1° | 179.9° |
| C26 | C27 | C11 | C12 | 1.1° | 0.5° |
| C26 | C27 | C28 | H13 | 90.0° | 95.6° |
| C26 | C27 | C28 | H14 | 150.0° | 144.4° |
| C26 | C27 | C28 | H15 | 30.0° | 24.4° |
| C27 | C26 | C25 | H35 | 177.0° | 180.0° |
| C25 | C26 | C27 | C11 | 2.1° | 0.2° |
| C26 | C25 | C13 | H35 | 180.0° | 179.9° |
| C26 | C25 | C13 | C12 | 2.8° | 0.1° |
| C26 | C25 | C13 | C14 | 177.5° | 179.7° |
| C27 | C11 | N1 | C12 | 178.0° | 179.4° |
| C27 | C11 | N1 | C3 | 84.7° | 87.9° |
| C27 | C11 | N1 | C4 | 88.0° | 92.4° |
| C27 | C11 | C12 | C13 | 1.0° | 0.5° |
| C11 | C27 | C26 | H12 | 177.9° | 180.0° |
| C11 | C27 | C28 | H13 | 90.0° | 84.6° |
| C11 | C27 | C28 | H14 | 30.0° | 35.4° |
| C11 | C27 | C28 | H15 | 150.0° | 155.4° |
| C27 | C11 | C12 | H27 | 179.0° | 179.4° |
| N4 | C7 | C8 | N3 | 176.5° | 180.0° |
| N4 | C7 | C8 | C9 | 179.4° | 180.0° |
| N4 | C7 | N3 | C6 | 178.9° | 180.0° |
| N4 | C7 | C8 | H1 | 0.6° | 0.0° |
| C7 | N4 | H23 | H24 | 120.0° | 179.9° |
| C7 | C8 | C9 | H1 | 180.0° | 180.0° |
| C8 | C7 | N3 | C6 | 4.5° | 0.0° |
| C7 | C8 | C9 | N5 | 176.2° | 180.0° |
| C7 | C8 | C9 | N6 | 1.2° | 0.0° |
| C8 | C7 | N4 | H23 | 176.6° | 0.1° |
| C8 | C7 | N4 | H24 | 56.6° | 180.0° |
| N3 | C7 | C8 | C9 | 4.1° | 0.0° |
| C7 | N3 | C6 | N6 | 1.8° | 0.1° |
| C7 | N3 | C6 | C5 | 179.5° | 180.0° |
| N3 | C7 | C8 | H1 | 175.9° | 180.0° |
| N3 | C7 | N4 | H23 | 0.0° | 179.9° |
| N3 | C7 | N4 | H24 | 120.0° | 0.0° |
| C25 | C13 | C12 | C11 | 1.7° | 0.2° |
| C25 | C13 | C12 | C14 | 179.7° | 179.8° |
| C25 | C13 | C14 | C24 | 42.0° | 0.3° |
| C25 | C13 | C14 | C15 | 137.9° | 179.7° |
| C13 | C25 | C26 | H12 | 177.0° | 179.8° |
| C25 | C13 | C12 | H27 | 178.3° | 179.7° |
| C8 | C9 | N5 | N6 | 177.5° | 180.0° |
| C8 | C9 | N6 | C6 | 1.4° | 0.1° |
| C8 | C9 | N5 | H25 | 177.5° | 0.0° |
| C8 | C9 | N5 | H26 | 57.5° | 180.0° |
| N3 | C6 | N6 | C9 | 1.1° | 0.1° |
| N3 | C6 | N6 | C5 | 178.7° | 179.9° |
| N3 | C6 | C5 | N2 | 170.2° | 180.0° |
| N3 | C6 | C5 | C10 | 12.3° | 0.0° |
| N5 | C9 | N6 | C6 | 178.8° | 179.9° |
| N5 | C9 | C8 | H1 | 3.8° | 0.0° |
| C9 | N5 | H25 | H26 | 120.0° | 180.0° |
| C9 | N6 | C6 | C5 | 177.6° | 180.0° |
| N6 | C9 | C8 | H1 | 178.8° | 180.0° |
| N6 | C9 | N5 | H25 | 0.0° | 180.0° |
| N6 | C9 | N5 | H26 | 120.0° | 0.0° |
| N6 | C6 | C5 | N2 | 8.6° | 0.1° |
| N6 | C6 | C5 | C10 | 169.0° | 179.9° |
| C6 | C5 | N2 | C10 | 177.9° | 180.0° |
| C6 | C5 | N2 | C4 | 178.9° | 180.0° |
| C6 | C5 | C10 | S1 | 179.6° | 179.9° |
| C6 | C5 | C10 | H2 | 0.4° | 0.0° |
| C11 | N1 | C4 | N2 | 164.7° | 179.9° |
| C11 | N1 | C3 | C4 | 172.5° | 179.7° |
| C11 | N1 | C3 | C2 | 92.1° | 94.8° |
| C11 | N1 | C4 | S1 | 11.4° | 0.2° |
| N1 | C11 | C12 | C13 | 178.9° | 180.0° |
| C11 | N1 | C3 | H21 | 147.2° | 25.2° |
| C11 | N1 | C3 | H22 | 28.6° | 145.2° |
| N1 | C11 | C12 | H27 | 1.1° | 0.0° |
| C12 | C11 | N1 | C3 | 97.3° | 92.7° |
| C12 | C11 | N1 | C4 | 90.0° | 87.0° |
| C11 | C12 | C13 | H27 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 178.5° | 180.0° |
| C5 | N2 | C4 | N1 | 174.0° | 180.0° |
| N2 | C5 | C10 | S1 | 2.8° | 0.2° |
| C5 | N2 | C4 | S1 | 2.3° | 0.1° |
| N2 | C5 | C10 | H2 | 177.2° | 180.0° |
| C10 | C5 | N2 | C4 | 3.2° | 0.0° |
| C5 | C10 | S1 | H2 | 180.0° | 179.8° |
| C5 | C10 | S1 | C4 | 1.2° | 0.2° |
| N2 | C4 | N1 | C3 | 7.7° | 0.2° |
| N2 | C4 | N1 | S1 | 176.1° | 179.8° |
| N2 | C4 | S1 | C10 | 0.7° | 0.2° |
| N1 | C3 | C2 | H21 | 120.7° | 120.0° |
| N1 | C3 | C2 | H22 | 120.7° | 120.0° |
| C3 | N1 | C4 | S1 | 176.2° | 180.0° |
| N1 | C3 | C2 | C1 | 167.7° | 175.2° |
| N1 | C3 | C2 | H19 | 47.5° | 55.2° |
| N1 | C3 | C2 | H20 | 72.0° | 64.8° |
| N1 | C3 | H21 | H22 | 117.9° | 120.0° |
| C2 | C3 | N1 | C4 | 95.5° | 85.0° |
| C3 | C2 | C1 | H19 | 120.2° | 120.0° |
| C3 | C2 | C1 | H20 | 120.2° | 120.0° |
| C3 | C2 | C1 | H16 | 180.0° | 180.0° |
| C3 | C2 | C1 | H17 | 60.0° | 60.0° |
| C3 | C2 | C1 | H18 | 60.0° | 60.0° |
| C3 | C2 | H19 | H20 | 119.3° | 120.0° |
| C2 | C3 | H21 | H22 | 117.9° | 120.0° |
| N1 | C4 | S1 | C10 | 175.6° | 180.0° |
| C4 | N1 | C3 | H21 | 25.2° | 155.1° |
| C4 | N1 | C3 | H22 | 143.9° | 35.1° |
| C4 | S1 | C10 | H2 | 178.8° | 180.0° |
| C12 | C13 | C14 | C24 | 138.3° | 180.0° |
| C12 | C13 | C14 | C15 | 41.8° | 0.0° |
| C12 | C13 | C25 | H35 | 177.3° | 180.0° |
| C13 | C14 | C24 | C15 | 179.9° | 180.0° |
| C13 | C14 | C24 | C23 | 178.9° | 179.4° |
| C13 | C14 | C15 | C16 | 178.9° | 180.0° |
| C13 | C14 | C15 | H3 | 1.1° | 0.2° |
| C13 | C14 | C24 | H11 | 1.2° | 0.0° |
| C14 | C13 | C12 | H27 | 1.5° | 0.0° |
| C14 | C13 | C25 | H35 | 2.5° | 0.2° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C1 | C2 | H19 | H20 | 119.4° | 120.0° |
| C1 | C2 | C3 | H21 | 71.6° | 55.2° |
| C1 | C2 | C3 | H22 | 47.0° | 64.8° |
| C14 | C24 | C23 | H11 | 180.0° | 179.4° |
| C14 | C24 | C23 | C17 | 2.0° | 0.8° |
| C24 | C14 | C15 | C16 | 1.0° | 0.0° |
| C24 | C14 | C15 | H3 | 179.0° | 179.7° |
| C14 | C24 | C23 | H34 | 178.0° | 179.9° |
| C23 | C24 | C14 | C15 | 1.0° | 0.6° |
| C24 | C23 | C17 | H34 | 180.0° | 179.3° |
| C24 | C23 | C17 | C16 | 2.9° | 0.5° |
| C24 | C23 | C17 | S2 | 176.9° | 179.5° |
| C14 | C15 | C16 | H3 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 1.9° | 0.3° |
| C15 | C14 | C24 | H11 | 178.9° | 180.0° |
| C14 | C15 | C16 | H28 | 178.1° | 179.8° |
| C23 | C17 | C16 | C15 | 2.9° | 0.0° |
| C23 | C17 | C16 | S2 | 174.0° | 180.0° |
| C23 | C17 | S2 | N7 | 97.1° | 90.0° |
| C23 | C17 | S2 | O1 | 16.6° | 23.5° |
| C23 | C17 | S2 | O2 | 149.6° | 156.4° |
| C17 | C23 | C24 | H11 | 178.0° | 179.8° |
| C23 | C17 | C16 | H28 | 177.1° | 180.0° |
| C20 | N8 | C19 | C18 | 68.9° | 172.7° |
| C20 | N8 | C19 | C21 | 125.7° | 124.1° |
| C20 | N8 | C21 | C22 | 70.1° | 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 | 169.5° | 67.2° |
| C20 | N8 | C21 | H8 | 50.3° | 52.9° |
| C20 | N8 | C19 | H31 | 170.7° | 52.8° |
| C20 | N8 | C19 | H32 | 51.4° | 67.2° |
| C15 | C16 | C17 | H28 | 180.0° | 179.9° |
| C15 | C16 | C17 | S2 | 176.9° | 180.0° |
| C19 | C18 | N7 | H29 | 119.9° | 119.7° |
| C19 | C18 | N7 | H30 | 119.9° | 119.7° |
| C18 | C19 | N8 | H31 | 120.4° | 119.9° |
| C18 | C19 | N8 | H32 | 120.4° | 120.0° |
| C18 | C19 | N8 | C21 | 56.8° | 63.1° |
| C19 | C18 | N7 | S2 | 161.4° | 128.8° |
| C19 | C18 | N7 | C22 | 57.8° | 51.2° |
| C19 | C18 | H29 | H30 | 120.2° | 120.5° |
| C18 | C19 | H31 | H32 | 119.0° | 120.1° |
| N7 | C18 | C19 | N8 | 58.0° | 53.9° |
| C18 | N7 | S2 | C17 | 64.4° | 90.0° |
| C18 | N7 | S2 | C22 | 138.2° | 180.0° |
| C18 | N7 | S2 | O1 | 49.2° | 156.5° |
| C18 | N7 | S2 | O2 | 179.5° | 23.6° |
| C18 | N7 | C22 | C21 | 56.2° | 51.2° |
| C18 | N7 | C22 | H9 | 63.9° | 68.5° |
| C18 | N7 | C22 | H10 | 176.3° | 171.0° |
| N7 | C18 | H29 | H30 | 120.2° | 120.5° |
| N7 | C18 | C19 | H31 | 62.3° | 173.8° |
| N7 | C18 | C19 | H32 | 178.4° | 66.1° |
| C19 | N8 | C21 | C22 | 54.8° | 63.1° |
| 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 | 65.6° | 56.9° |
| C19 | N8 | C21 | H8 | 175.2° | 177.0° |
| N8 | C19 | C18 | H29 | 61.9° | 65.8° |
| N8 | C19 | C18 | H30 | 178.0° | 173.5° |
| N8 | C19 | H31 | H32 | 118.9° | 120.0° |
| C16 | C17 | S2 | N7 | 77.0° | 90.0° |
| C16 | C17 | S2 | O1 | 169.3° | 156.5° |
| C16 | C17 | S2 | O2 | 36.3° | 23.5° |
| C17 | C16 | C15 | H3 | 178.1° | 179.9° |
| C16 | C17 | C23 | H34 | 177.1° | 179.8° |
| C17 | S2 | N7 | O1 | 113.6° | 113.5° |
| C17 | S2 | N7 | O2 | 115.1° | 113.6° |
| C17 | S2 | N7 | C22 | 73.8° | 90.0° |
| C17 | S2 | O1 | O2 | 125.3° | 123.0° |
| S2 | C17 | C16 | H28 | 3.1° | 0.0° |
| S2 | C17 | C23 | H34 | 3.1° | 0.2° |
| N8 | C21 | C22 | N7 | 54.5° | 53.9° |
| N8 | C21 | C22 | H7 | 120.4° | 120.0° |
| N8 | C21 | C22 | H8 | 120.4° | 119.9° |
| C21 | N8 | C20 | H4 | 55.4° | 64.3° |
| C21 | N8 | C20 | H5 | 175.4° | 55.8° |
| C21 | N8 | C20 | H6 | 64.6° | 175.7° |
| N8 | C21 | H7 | H8 | 118.8° | 120.0° |
| N8 | C21 | C22 | H9 | 65.6° | 65.8° |
| N8 | C21 | C22 | H10 | 174.6° | 173.8° |
| C21 | N8 | C19 | H31 | 63.6° | 176.9° |
| C21 | N8 | C19 | H32 | 177.1° | 56.9° |
| N7 | S2 | O1 | O2 | 121.7° | 123.0° |
| S2 | N7 | C22 | C21 | 163.4° | 128.8° |
| S2 | N7 | C22 | H9 | 76.4° | 111.5° |
| S2 | N7 | C22 | H10 | 43.3° | 9.0° |
| S2 | N7 | C18 | H29 | 78.7° | 111.5° |
| S2 | N7 | C18 | H30 | 41.5° | 9.1° |
| C22 | N7 | S2 | O1 | 172.6° | 23.5° |
| C22 | N7 | S2 | O2 | 41.3° | 156.5° |
| N7 | C22 | C21 | H9 | 120.1° | 119.7° |
| N7 | C22 | C21 | H10 | 120.1° | 119.9° |
| N7 | C22 | C21 | H7 | 65.9° | 66.1° |
| N7 | C22 | C21 | H8 | 174.9° | 173.7° |
| N7 | C22 | H9 | H10 | 119.7° | 120.6° |
| C22 | N7 | C18 | H29 | 62.1° | 68.5° |
| C22 | N7 | C18 | H30 | 177.7° | 170.9° |
| C22 | C21 | H7 | H8 | 118.7° | 120.1° |
| C21 | C22 | H9 | H10 | 119.7° | 120.3° |
| H3 | C15 | C16 | H28 | 1.9° | 0.0° |
| H4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H7 | C21 | C22 | H9 | 174.0° | 174.1° |
| H7 | C21 | C22 | H10 | 54.2° | 53.8° |
| H8 | C21 | C22 | H9 | 54.8° | 54.0° |
| H8 | C21 | C22 | H10 | 65.0° | 66.3° |
| H11 | C24 | C23 | H34 | 2.0° | 0.5° |
| H12 | C26 | C25 | H35 | 3.0° | 0.2° |
| H13 | C28 | H14 | H15 | 120.0° | 120.0° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H16 | C1 | C2 | H19 | 59.8° | 60.0° |
| H16 | C1 | C2 | H20 | 59.8° | 60.0° |
| H17 | C1 | C2 | H19 | 179.8° | 60.0° |
| H17 | C1 | C2 | H20 | 60.2° | 180.0° |
| H18 | C1 | C2 | H19 | 60.2° | 180.0° |
| H18 | C1 | C2 | H20 | 179.8° | 60.0° |
| H19 | C2 | C3 | H21 | 168.2° | 64.8° |
| H19 | C2 | C3 | H22 | 73.2° | 175.2° |
| H20 | C2 | C3 | H21 | 48.6° | 175.2° |
| H20 | C2 | C3 | H22 | 167.3° | 55.2° |
| H29 | C18 | C19 | H31 | 177.7° | 54.1° |
| H29 | C18 | C19 | H32 | 58.4° | 174.2° |
| H30 | C18 | C19 | H31 | 57.6° | 66.5° |
| H30 | C18 | C19 | H32 | 61.7° | 53.6° |
