6SH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| N3 | C18 | doub | 1.30Å | 1.33Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | N4 | sing | 1.40Å | 1.45Å | |
| C18 | C17 | sing | 1.42Å | 1.41Å | Aromatic |
| N4 | C25 | sing | 1.35Å | 1.36Å | Aromatic |
| C25 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | N5 | sing | 1.38Å | 1.32Å | |
| C17 | C16 | sing | 1.47Å | 1.48Å | |
| N2 | C16 | sing | 1.35Å | 1.33Å | |
| N2 | C15 | sing | 1.46Å | 1.46Å | |
| C16 | O1 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C26 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C | sing | 1.53Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.50Å | |
| O2 | C10 | doub | 1.21Å | 1.25Å | |
| C | C1 | sing | 1.53Å | 1.49Å | |
| C10 | N1 | sing | 1.35Å | 1.33Å | |
| C3 | C6 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | C8 | sing | 1.46Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | N | sing | 1.35Å | 1.34Å | |
| C9 | O | doub | 1.21Å | 1.25Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C21 | H33 | sing | 1.08Å | 1.08Å | |
| C20 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 120.3° | 120.1° |
| C21 | C22 | C23 | 119.8° | 120.2° |
| C21 | C22 | H32 | 120.1° | 119.9° |
| C22 | C21 | H33 | 119.8° | 120.0° |
| C21 | C20 | C19 | 119.7° | 119.9° |
| C20 | C21 | H33 | 119.8° | 119.9° |
| C21 | C20 | H34 | 120.2° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.1° |
| C22 | C23 | H31 | 119.9° | 120.0° |
| C23 | C22 | H32 | 120.1° | 119.9° |
| C20 | C19 | C24 | 120.0° | 119.8° |
| C20 | C19 | N4 | 120.1° | 120.1° |
| C19 | C20 | H34 | 120.1° | 120.0° |
| C18 | N3 | N4 | 104.4° | 109.3° |
| N3 | C18 | C17 | 112.6° | 108.2° |
| N3 | C18 | H29 | 123.7° | 125.9° |
| N3 | N4 | C19 | 118.6° | 125.8° |
| N3 | N4 | C25 | 111.8° | 108.5° |
| C23 | C24 | C19 | 119.8° | 120.0° |
| C23 | C24 | H30 | 120.1° | 120.1° |
| C24 | C23 | H31 | 119.9° | 120.0° |
| C24 | C19 | N4 | 119.9° | 120.1° |
| C19 | C24 | H30 | 120.1° | 120.0° |
| C19 | N4 | C25 | 129.7° | 125.7° |
| C18 | C17 | C25 | 104.5° | 106.9° |
| C18 | C17 | C16 | 130.7° | 126.6° |
| C17 | C18 | H29 | 123.7° | 125.8° |
| N4 | C25 | C17 | 106.8° | 107.0° |
| N4 | C25 | N5 | 123.3° | 126.5° |
| C17 | C25 | N5 | 129.9° | 126.4° |
| C25 | C17 | C16 | 124.2° | 126.5° |
| C25 | N5 | H27 | 109.5° | 120.0° |
| C25 | N5 | H28 | 109.5° | 120.1° |
| C17 | C16 | N2 | 117.2° | 120.0° |
| C17 | C16 | O1 | 121.3° | 120.0° |
| C16 | N2 | C15 | 121.8° | 120.0° |
| N2 | C16 | O1 | 121.5° | 120.0° |
| C16 | N2 | H11 | 119.1° | 120.0° |
| N2 | C15 | C14 | 112.9° | 109.5° |
| C15 | N2 | H11 | 119.1° | 120.0° |
| N2 | C15 | H14 | 108.6° | 109.5° |
| N2 | C15 | H15 | 108.6° | 109.4° |
| C15 | C14 | C26 | 120.5° | 119.9° |
| C15 | C14 | C13 | 121.1° | 119.8° |
| C14 | C15 | H14 | 108.6° | 109.5° |
| C14 | C15 | H15 | 108.6° | 109.5° |
| C14 | C26 | C27 | 120.6° | 120.1° |
| C26 | C14 | C13 | 118.4° | 120.3° |
| C14 | C26 | H26 | 119.7° | 119.9° |
| C26 | C27 | C11 | 121.0° | 119.8° |
| C26 | C27 | H25 | 119.5° | 120.1° |
| C27 | C26 | H26 | 119.7° | 119.9° |
| C14 | C13 | C12 | 121.3° | 120.1° |
| C14 | C13 | H13 | 119.3° | 119.9° |
| C27 | C11 | C12 | 118.1° | 119.8° |
| C27 | C11 | C10 | 119.2° | 120.1° |
| C11 | C27 | H25 | 119.5° | 120.1° |
| C13 | C12 | C11 | 120.5° | 119.8° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C13 | H13 | 119.3° | 119.9° |
| C4 | C5 | C | 111.1° | 109.4° |
| C5 | C4 | C3 | 111.7° | 109.5° |
| C5 | C4 | H1 | 108.9° | 109.4° |
| C5 | C4 | H2 | 108.9° | 109.4° |
| C4 | C5 | H3 | 109.1° | 109.4° |
| C4 | C5 | H4 | 109.0° | 109.5° |
| C5 | C | C1 | 111.1° | 109.5° |
| C | C5 | H3 | 109.1° | 109.5° |
| C | C5 | H4 | 109.1° | 109.5° |
| C5 | C | H23 | 109.0° | 109.5° |
| C5 | C | H24 | 109.0° | 109.5° |
| C4 | C3 | C6 | 109.2° | 109.5° |
| C4 | C3 | C2 | 110.1° | 109.5° |
| C3 | C4 | H1 | 108.9° | 109.5° |
| C3 | C4 | H2 | 108.9° | 109.5° |
| C4 | C3 | H18 | 108.6° | 109.5° |
| C12 | C11 | C10 | 122.7° | 120.1° |
| C11 | C12 | H12 | 119.7° | 120.1° |
| C11 | C10 | O2 | 120.1° | 120.0° |
| C11 | C10 | N1 | 118.4° | 120.0° |
| O2 | C10 | N1 | 121.5° | 120.0° |
| C | C1 | C2 | 111.2° | 109.5° |
| C | C1 | H21 | 109.0° | 109.5° |
| C | C1 | H22 | 109.1° | 109.5° |
| C1 | C | H23 | 109.1° | 109.5° |
| C1 | C | H24 | 109.1° | 109.5° |
| C10 | N1 | C8 | 121.0° | 120.0° |
| C10 | N1 | H7 | 119.5° | 120.0° |
| C6 | C3 | C2 | 112.2° | 109.4° |
| C3 | C6 | C7 | 115.4° | 109.5° |
| C3 | C6 | H5 | 107.9° | 109.4° |
| C3 | C6 | H6 | 108.0° | 109.4° |
| C6 | C3 | H18 | 108.3° | 109.4° |
| C3 | C2 | C1 | 112.5° | 109.5° |
| C2 | C3 | H18 | 108.4° | 109.5° |
| C3 | C2 | H19 | 108.7° | 109.5° |
| C3 | C2 | H20 | 108.7° | 109.5° |
| C6 | C7 | C8 | 115.4° | 109.5° |
| C7 | C6 | H5 | 108.0° | 109.5° |
| C7 | C6 | H6 | 108.0° | 109.5° |
| C6 | C7 | H8 | 108.0° | 109.5° |
| C6 | C7 | H9 | 108.0° | 109.4° |
| C1 | C2 | H19 | 108.7° | 109.4° |
| C1 | C2 | H20 | 108.7° | 109.5° |
| C2 | C1 | H21 | 109.0° | 109.5° |
| C2 | C1 | H22 | 109.0° | 109.4° |
| N1 | C8 | C7 | 111.2° | 109.5° |
| N1 | C8 | C9 | 108.4° | 109.5° |
| C8 | N1 | H7 | 119.5° | 120.0° |
| N1 | C8 | H10 | 108.4° | 109.5° |
| C7 | C8 | C9 | 112.7° | 109.5° |
| C8 | C7 | H8 | 108.0° | 109.5° |
| C8 | C7 | H9 | 108.0° | 109.5° |
| C7 | C8 | H10 | 107.9° | 109.5° |
| C8 | C9 | N | 115.9° | 120.0° |
| C8 | C9 | O | 120.1° | 120.1° |
| C9 | C8 | H10 | 108.1° | 109.5° |
| N | C9 | O | 123.9° | 120.0° |
| C9 | N | H16 | 120.0° | 120.0° |
| C9 | N | H17 | 120.0° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H14 | C15 | H15 | 109.4° | 109.4° |
| H16 | N | H17 | 120.0° | 120.1° |
| H19 | C2 | H20 | 109.5° | 109.5° |
| H21 | C1 | H22 | 109.5° | 109.4° |
| H23 | C | H24 | 109.5° | 109.4° |
| H27 | N5 | H28 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H33 | 180.0° | 179.7° |
| C21 | C22 | C23 | H32 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 1.2° | 0.6° |
| C21 | C22 | C23 | C24 | 0.0° | 0.1° |
| C21 | C22 | C23 | H31 | 180.0° | 179.9° |
| C22 | C21 | C20 | H34 | 178.8° | 179.9° |
| C20 | C21 | C22 | C23 | 0.6° | 0.3° |
| C21 | C20 | C19 | H34 | 180.0° | 179.5° |
| C21 | C20 | C19 | C24 | 1.2° | 0.5° |
| C21 | C20 | C19 | N4 | 177.1° | 179.8° |
| C20 | C21 | C22 | H32 | 179.4° | 179.8° |
| C22 | C23 | C24 | H31 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 0.1° | 0.0° |
| C22 | C23 | C24 | H30 | 179.9° | 179.9° |
| C23 | C22 | C21 | H33 | 179.3° | 180.0° |
| C20 | C19 | N4 | N3 | 87.2° | 144.8° |
| C20 | C19 | C24 | C23 | 0.5° | 0.2° |
| C20 | C19 | C24 | N4 | 178.3° | 179.7° |
| C20 | C19 | N4 | C25 | 94.3° | 35.3° |
| C20 | C19 | C24 | H30 | 179.5° | 179.7° |
| C19 | C20 | C21 | H33 | 178.7° | 179.7° |
| C18 | N3 | N4 | C19 | 178.0° | 180.0° |
| N3 | C18 | C17 | H29 | 180.0° | 180.0° |
| C18 | N3 | N4 | C25 | 0.7° | 0.1° |
| N3 | C18 | C17 | C25 | 2.1° | 0.0° |
| N3 | C18 | C17 | C16 | 168.5° | 179.9° |
| N3 | N4 | C19 | C24 | 94.5° | 34.9° |
| N3 | N4 | C19 | C25 | 178.4° | 179.9° |
| N4 | N3 | C18 | C17 | 0.9° | 0.1° |
| N3 | N4 | C25 | C17 | 2.0° | 0.0° |
| N3 | N4 | C25 | N5 | 177.3° | 180.0° |
| N4 | N3 | C18 | H29 | 179.1° | 180.0° |
| C23 | C24 | C19 | H30 | 180.0° | 180.0° |
| C23 | C24 | C19 | N4 | 177.8° | 180.0° |
| C24 | C23 | C22 | H32 | 180.0° | 179.9° |
| C24 | C19 | N4 | C25 | 84.0° | 145.0° |
| C19 | C24 | C23 | H31 | 179.9° | 180.0° |
| C24 | C19 | C20 | H34 | 178.9° | 180.0° |
| C19 | N4 | C25 | C17 | 176.5° | 179.9° |
| C19 | N4 | C25 | N5 | 4.2° | 0.1° |
| N4 | C19 | C24 | H30 | 2.2° | 0.0° |
| N4 | C19 | C20 | H34 | 2.9° | 0.2° |
| C18 | C17 | C25 | N4 | 2.4° | 0.0° |
| C18 | C17 | C25 | C16 | 171.4° | 179.9° |
| C18 | C17 | C25 | N5 | 176.9° | 180.0° |
| C18 | C17 | C16 | N2 | 8.5° | 0.1° |
| C18 | C17 | C16 | O1 | 170.3° | 179.9° |
| N4 | C25 | C17 | N5 | 179.3° | 180.0° |
| N4 | C25 | C17 | C16 | 169.0° | 179.9° |
| N4 | C25 | N5 | H27 | 180.0° | 0.0° |
| N4 | C25 | N5 | H28 | 60.0° | 180.0° |
| C25 | C17 | C16 | N2 | 177.5° | 180.0° |
| C25 | C17 | C16 | O1 | 1.3° | 0.0° |
| C17 | C25 | N5 | H27 | 0.8° | 180.0° |
| C17 | C25 | N5 | H28 | 119.2° | 0.0° |
| C25 | C17 | C18 | H29 | 177.9° | 180.0° |
| N5 | C25 | C17 | C16 | 11.7° | 0.1° |
| C25 | N5 | H27 | H28 | 120.0° | 179.9° |
| C17 | C16 | N2 | O1 | 178.7° | 180.0° |
| C17 | C16 | N2 | C15 | 177.9° | 180.0° |
| C17 | C16 | N2 | H11 | 2.1° | 0.0° |
| C16 | C17 | C18 | H29 | 11.5° | 0.1° |
| C16 | N2 | C15 | H11 | 180.0° | 180.0° |
| C16 | N2 | C15 | C14 | 89.5° | 180.0° |
| C16 | N2 | C15 | H14 | 150.0° | 60.0° |
| C16 | N2 | C15 | H15 | 31.1° | 60.0° |
| C15 | N2 | C16 | O1 | 0.8° | 0.0° |
| N2 | C15 | C14 | H14 | 120.5° | 120.1° |
| N2 | C15 | C14 | H15 | 120.5° | 120.0° |
| N2 | C15 | C14 | C26 | 13.9° | 89.9° |
| N2 | C15 | C14 | C13 | 165.9° | 90.0° |
| N2 | C15 | H14 | H15 | 118.4° | 120.0° |
| O1 | C16 | N2 | H11 | 179.2° | 180.0° |
| C15 | C14 | C26 | C13 | 179.8° | 180.0° |
| C15 | C14 | C26 | C27 | 177.1° | 179.7° |
| C15 | C14 | C13 | C12 | 178.3° | 180.0° |
| C14 | C15 | N2 | H11 | 90.6° | 0.0° |
| C15 | C14 | C13 | H13 | 1.7° | 0.0° |
| C14 | C15 | H14 | H15 | 118.4° | 120.0° |
| C15 | C14 | C26 | H26 | 2.9° | 0.0° |
| C14 | C26 | C27 | H26 | 180.0° | 179.7° |
| C14 | C26 | C27 | C11 | 3.5° | 0.5° |
| C26 | C14 | C13 | C12 | 1.9° | 0.0° |
| C26 | C14 | C13 | H13 | 178.1° | 180.0° |
| C26 | C14 | C15 | H14 | 134.4° | 150.0° |
| C26 | C14 | C15 | H15 | 106.6° | 30.0° |
| C14 | C26 | C27 | H25 | 176.4° | 180.0° |
| C27 | C26 | C14 | C13 | 3.1° | 0.3° |
| C26 | C27 | C11 | H25 | 180.0° | 179.5° |
| C26 | C27 | C11 | C12 | 2.6° | 0.5° |
| C26 | C27 | C11 | C10 | 177.9° | 179.8° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 1.0° | 0.0° |
| C14 | C13 | C12 | H12 | 179.0° | 180.0° |
| C13 | C14 | C15 | H14 | 45.4° | 30.0° |
| C13 | C14 | C15 | H15 | 73.6° | 150.0° |
| C13 | C14 | C26 | H26 | 176.9° | 180.0° |
| C27 | C11 | C12 | C13 | 1.3° | 0.3° |
| C27 | C11 | C12 | C10 | 179.5° | 179.7° |
| C27 | C11 | C10 | O2 | 19.3° | 179.7° |
| C27 | C11 | C10 | N1 | 160.0° | 0.3° |
| C27 | C11 | C12 | H12 | 178.7° | 179.8° |
| C11 | C27 | C26 | H26 | 176.4° | 179.7° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 179.2° | 180.0° |
| C4 | C5 | C | H3 | 120.3° | 119.9° |
| C4 | C5 | C | H4 | 120.2° | 120.0° |
| C5 | C4 | C3 | H1 | 120.3° | 120.0° |
| C5 | C4 | C3 | H2 | 120.4° | 120.0° |
| C4 | C5 | C | C1 | 58.4° | 60.0° |
| C5 | C4 | C3 | C6 | 176.9° | 180.0° |
| C5 | C4 | C3 | C2 | 53.3° | 60.0° |
| C5 | C4 | H1 | H2 | 119.0° | 119.9° |
| C4 | C5 | H3 | H4 | 119.2° | 120.0° |
| C5 | C4 | C3 | H18 | 65.2° | 60.0° |
| C4 | C5 | C | H23 | 178.7° | 180.0° |
| C4 | C5 | C | H24 | 61.9° | 60.1° |
| C | C5 | C4 | C3 | 57.3° | 60.0° |
| C5 | C | C1 | H23 | 120.2° | 120.0° |
| C5 | C | C1 | H24 | 120.2° | 120.0° |
| C5 | C | C1 | C2 | 56.5° | 60.0° |
| C | C5 | C4 | H1 | 63.0° | 60.0° |
| C | C5 | C4 | H2 | 177.6° | 180.0° |
| C | C5 | H3 | H4 | 119.3° | 120.1° |
| C5 | C | C1 | H21 | 63.8° | 179.9° |
| C5 | C | C1 | H22 | 176.7° | 60.0° |
| C5 | C | H23 | H24 | 119.2° | 120.0° |
| C4 | C3 | C6 | C2 | 122.3° | 120.0° |
| C4 | C3 | C6 | H18 | 118.1° | 120.0° |
| C4 | C3 | C2 | H18 | 118.6° | 120.1° |
| C4 | C3 | C6 | C7 | 154.5° | 175.0° |
| C4 | C3 | C2 | C1 | 51.8° | 60.0° |
| C3 | C4 | H1 | H2 | 119.0° | 120.1° |
| C3 | C4 | C5 | H3 | 63.0° | 60.0° |
| C3 | C4 | C5 | H4 | 177.6° | 180.0° |
| C4 | C3 | C6 | H5 | 84.6° | 55.0° |
| C4 | C3 | C6 | H6 | 33.7° | 65.0° |
| C4 | C3 | C2 | H19 | 68.6° | 59.9° |
| C4 | C3 | C2 | H20 | 172.3° | 180.0° |
| C12 | C11 | C10 | O2 | 161.2° | 0.0° |
| C12 | C11 | C10 | N1 | 19.5° | 180.0° |
| C11 | C12 | C13 | H13 | 179.0° | 180.0° |
| C12 | C11 | C27 | H25 | 177.4° | 180.0° |
| C11 | C10 | O2 | N1 | 179.2° | 179.9° |
| C11 | C10 | N1 | C8 | 174.5° | 180.0° |
| C11 | C10 | N1 | H7 | 5.6° | 0.1° |
| C10 | C11 | C12 | H12 | 0.8° | 0.1° |
| C10 | C11 | C27 | H25 | 2.1° | 0.3° |
| O2 | C10 | N1 | C8 | 4.8° | 0.0° |
| O2 | C10 | N1 | H7 | 175.2° | 180.0° |
| C | C1 | C2 | C3 | 53.8° | 59.9° |
| C | C1 | C2 | H21 | 120.2° | 120.1° |
| C | C1 | C2 | H22 | 120.3° | 120.0° |
| C1 | C | C5 | H3 | 61.9° | 60.0° |
| C1 | C | C5 | H4 | 178.6° | 180.0° |
| C | C1 | C2 | H19 | 66.7° | 60.0° |
| C | C1 | C2 | H20 | 174.2° | 180.0° |
| C | C1 | H21 | H22 | 119.2° | 120.0° |
| C1 | C | H23 | H24 | 119.3° | 120.0° |
| C10 | N1 | C8 | H7 | 180.0° | 179.9° |
| C10 | N1 | C8 | C7 | 102.7° | 155.0° |
| C10 | N1 | C8 | C9 | 132.9° | 85.0° |
| C10 | N1 | C8 | H10 | 15.7° | 35.0° |
| C6 | C3 | C2 | H18 | 119.5° | 119.9° |
| C3 | C6 | C7 | H5 | 120.8° | 120.0° |
| C3 | C6 | C7 | H6 | 120.9° | 120.0° |
| C6 | C3 | C2 | C1 | 173.6° | 180.0° |
| C3 | C6 | C7 | C8 | 65.9° | 180.0° |
| C6 | C3 | C4 | H1 | 56.6° | 60.0° |
| C6 | C3 | C4 | H2 | 62.8° | 60.0° |
| C3 | C6 | H5 | H6 | 117.3° | 119.9° |
| C3 | C6 | C7 | H8 | 55.0° | 59.9° |
| C3 | C6 | C7 | H9 | 173.3° | 60.0° |
| C6 | C3 | C2 | H19 | 53.2° | 60.1° |
| C6 | C3 | C2 | H20 | 65.9° | 60.0° |
| C2 | C3 | C6 | C7 | 83.2° | 65.0° |
| C3 | C2 | C1 | H19 | 120.5° | 120.0° |
| C3 | C2 | C1 | H20 | 120.5° | 120.0° |
| C2 | C3 | C4 | H1 | 67.0° | 59.9° |
| C2 | C3 | C4 | H2 | 173.7° | 180.0° |
| C2 | C3 | C6 | H5 | 37.7° | 175.0° |
| C2 | C3 | C6 | H6 | 156.0° | 55.0° |
| C3 | C2 | H19 | H20 | 118.6° | 120.1° |
| C3 | C2 | C1 | H21 | 66.4° | 180.0° |
| C3 | C2 | C1 | H22 | 174.0° | 60.0° |
| C6 | C7 | C8 | N1 | 76.8° | 65.0° |
| C6 | C7 | C8 | H8 | 120.9° | 120.0° |
| C6 | C7 | C8 | H9 | 120.8° | 120.0° |
| C6 | C7 | C8 | C9 | 161.3° | 175.0° |
| C7 | C6 | H5 | H6 | 117.3° | 120.1° |
| C6 | C7 | H8 | H9 | 117.3° | 119.9° |
| C6 | C7 | C8 | H10 | 42.0° | 55.0° |
| C7 | C6 | C3 | H18 | 36.5° | 55.0° |
| C1 | C2 | C3 | H18 | 66.8° | 60.1° |
| C1 | C2 | H19 | H20 | 118.6° | 120.0° |
| C2 | C1 | H21 | H22 | 119.2° | 119.9° |
| C2 | C1 | C | H23 | 176.7° | 180.0° |
| C2 | C1 | C | H24 | 63.8° | 60.1° |
| N1 | C8 | C7 | C9 | 122.0° | 120.0° |
| N1 | C8 | C7 | H10 | 118.8° | 120.0° |
| N1 | C8 | C9 | H10 | 117.3° | 120.0° |
| N1 | C8 | C9 | N | 74.5° | 180.0° |
| N1 | C8 | C9 | O | 103.1° | 0.0° |
| N1 | C8 | C7 | H8 | 162.4° | 175.0° |
| N1 | C8 | C7 | H9 | 44.1° | 55.0° |
| C7 | C8 | C9 | H10 | 119.1° | 120.0° |
| C7 | C8 | C9 | N | 161.9° | 60.0° |
| C7 | C8 | C9 | O | 20.5° | 120.0° |
| C8 | C7 | C6 | H5 | 173.3° | 60.0° |
| C8 | C7 | C6 | H6 | 55.0° | 60.0° |
| C7 | C8 | N1 | H7 | 77.2° | 25.0° |
| C8 | C7 | H8 | H9 | 117.3° | 120.1° |
| C8 | C9 | N | O | 177.5° | 180.0° |
| C9 | C8 | N1 | H7 | 47.2° | 95.0° |
| C9 | C8 | C7 | H8 | 40.4° | 55.0° |
| C9 | C8 | C7 | H9 | 77.9° | 65.0° |
| C8 | C9 | N | H16 | 177.6° | 0.0° |
| C8 | C9 | N | H17 | 2.5° | 180.0° |
| N | C9 | C8 | H10 | 42.8° | 60.0° |
| C9 | N | H16 | H17 | 180.0° | 179.9° |
| O | C9 | C8 | H10 | 139.6° | 120.0° |
| O | C9 | N | H16 | 0.0° | 180.0° |
| O | C9 | N | H17 | 180.0° | 0.1° |
| H1 | C4 | C5 | H3 | 176.7° | 180.0° |
| H1 | C4 | C5 | H4 | 57.2° | 60.0° |
| H1 | C4 | C3 | H18 | 174.5° | 180.0° |
| H2 | C4 | C5 | H3 | 57.4° | 60.0° |
| H2 | C4 | C5 | H4 | 62.1° | 60.0° |
| H2 | C4 | C3 | H18 | 55.1° | 60.0° |
| H3 | C5 | C | H23 | 58.4° | 60.1° |
| H3 | C5 | C | H24 | 177.9° | 180.0° |
| H4 | C5 | C | H23 | 61.1° | 60.0° |
| H4 | C5 | C | H24 | 58.4° | 59.9° |
| H5 | C6 | C7 | H8 | 65.9° | 60.0° |
| H5 | C6 | C7 | H9 | 52.4° | 179.9° |
| H5 | C6 | C3 | H18 | 157.3° | 65.0° |
| H6 | C6 | C7 | H8 | 175.9° | 179.9° |
| H6 | C6 | C7 | H9 | 65.9° | 60.0° |
| H6 | C6 | C3 | H18 | 84.4° | 175.0° |
| H7 | N1 | C8 | H10 | 164.3° | 145.0° |
| H8 | C7 | C8 | H10 | 78.8° | 65.0° |
| H9 | C7 | C8 | H10 | 162.9° | 175.0° |
| H11 | N2 | C15 | H14 | 30.0° | 120.0° |
| H11 | N2 | C15 | H15 | 148.9° | 120.0° |
| H12 | C12 | C13 | H13 | 1.0° | 0.1° |
| H18 | C3 | C2 | H19 | 172.7° | 180.0° |
| H18 | C3 | C2 | H20 | 53.7° | 59.9° |
| H19 | C2 | C1 | H21 | 173.1° | 60.1° |
| H19 | C2 | C1 | H22 | 53.6° | 180.0° |
| H20 | C2 | C1 | H21 | 54.0° | 60.0° |
| H20 | C2 | C1 | H22 | 65.5° | 60.0° |
| H21 | C1 | C | H23 | 56.5° | 59.9° |
| H21 | C1 | C | H24 | 176.0° | 60.0° |
| H22 | C1 | C | H23 | 63.0° | 60.0° |
| H22 | C1 | C | H24 | 56.5° | 180.0° |
| H25 | C27 | C26 | H26 | 3.6° | 0.3° |
| H30 | C24 | C23 | H31 | 0.1° | 0.0° |
| H31 | C23 | C22 | H32 | 0.0° | 0.1° |
| H32 | C22 | C21 | H33 | 0.7° | 0.1° |
| H33 | C21 | C20 | H34 | 1.2° | 0.2° |
