H8S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C27 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.36Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | S | sing | 1.76Å | 1.70Å | Aromatic |
| C6 | N | sing | 1.35Å | 1.42Å | Aromatic |
| S | C7 | sing | 1.71Å | 1.76Å | Aromatic |
| N | C7 | doub | 1.28Å | 1.31Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.48Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | O | doub | 1.21Å | 1.21Å | |
| C10 | N1 | sing | 1.35Å | 1.40Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| N1 | C9 | sing | 1.46Å | 1.47Å | |
| C9 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | N2 | sing | 1.35Å | 1.38Å | |
| N2 | C14 | sing | 1.46Å | 1.47Å | |
| C19 | C17 | sing | 1.53Å | 1.49Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C14 | C20 | sing | 1.53Å | 1.57Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.33Å | |
| N3 | C16 | sing | 1.35Å | 1.40Å | |
| N3 | C15 | sing | 1.47Å | 1.48Å | |
| C20 | C25 | sing | 1.53Å | 1.55Å | |
| C16 | O1 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.08Å | 1.08Å | |
| C27 | H41 | sing | 1.08Å | 1.08Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 109.9° | 109.4° |
| C | C1 | C3 | 110.4° | 109.5° |
| C | C1 | H5 | 107.2° | 109.4° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.4° |
| C2 | C1 | C3 | 114.6° | 109.5° |
| C2 | C1 | H5 | 107.1° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C3 | C27 | 118.8° | 120.0° |
| C1 | C3 | C4 | 121.5° | 119.9° |
| C3 | C1 | H5 | 107.3° | 109.6° |
| C27 | C3 | C4 | 119.6° | 120.0° |
| C3 | C27 | C26 | 121.5° | 120.8° |
| C3 | C27 | H41 | 119.3° | 119.6° |
| C3 | C4 | C5 | 118.5° | 119.9° |
| C3 | C4 | H9 | 120.7° | 120.0° |
| C27 | C26 | C6 | 118.3° | 120.4° |
| C27 | C26 | H40 | 120.8° | 119.9° |
| C26 | C27 | H41 | 119.3° | 119.6° |
| C4 | C5 | C6 | 121.9° | 120.3° |
| C4 | C5 | S | 127.6° | 131.7° |
| C5 | C4 | H9 | 120.7° | 120.1° |
| C26 | C6 | C5 | 120.2° | 118.5° |
| C26 | C6 | N | 125.2° | 129.7° |
| C6 | C26 | H40 | 120.8° | 119.8° |
| C6 | C5 | S | 110.5° | 108.0° |
| C5 | C6 | N | 114.7° | 111.8° |
| C5 | S | C7 | 89.4° | 90.8° |
| C6 | N | C7 | 109.0° | 117.8° |
| S | C7 | N | 116.5° | 111.5° |
| S | C7 | C8 | 117.3° | 124.2° |
| N | C7 | C8 | 126.2° | 124.2° |
| C7 | C8 | C9 | 111.3° | 109.5° |
| C7 | C8 | H10 | 109.0° | 109.4° |
| C7 | C8 | H11 | 109.0° | 109.5° |
| C10 | C11 | C12 | 107.7° | 109.4° |
| C11 | C10 | O | 119.8° | 120.0° |
| C11 | C10 | N1 | 118.5° | 120.0° |
| C10 | C11 | H13 | 109.9° | 109.5° |
| C10 | C11 | H14 | 109.9° | 109.4° |
| C12 | C11 | H13 | 109.9° | 109.5° |
| C12 | C11 | H14 | 109.9° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.4° |
| C11 | C12 | H16 | 109.4° | 109.4° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| O | C10 | N1 | 121.7° | 120.0° |
| C10 | N1 | C9 | 124.5° | 120.0° |
| C10 | N1 | H12 | 117.7° | 120.0° |
| C8 | C9 | N1 | 109.0° | 109.5° |
| C8 | C9 | C13 | 109.8° | 109.4° |
| C9 | C8 | H10 | 109.0° | 109.5° |
| C9 | C8 | H11 | 109.0° | 109.5° |
| C8 | C9 | H | 110.1° | 109.5° |
| N1 | C9 | C13 | 106.7° | 109.5° |
| C9 | N1 | H12 | 117.8° | 120.0° |
| N1 | C9 | H | 111.0° | 109.5° |
| C9 | C13 | O2 | 122.0° | 120.0° |
| C9 | C13 | N2 | 115.7° | 120.0° |
| C13 | C9 | H | 110.1° | 109.5° |
| O2 | C13 | N2 | 122.3° | 120.0° |
| C13 | N2 | C14 | 123.0° | 120.0° |
| C13 | N2 | H18 | 118.5° | 120.0° |
| N2 | C14 | C20 | 109.6° | 109.5° |
| N2 | C14 | C15 | 107.9° | 109.5° |
| C14 | N2 | H18 | 118.5° | 120.0° |
| N2 | C14 | H1 | 108.7° | 109.4° |
| C19 | C17 | C16 | 116.9° | 109.4° |
| C19 | C17 | C18 | 124.0° | 109.5° |
| C17 | C19 | H27 | 109.5° | 109.5° |
| C17 | C19 | H22 | 109.5° | 109.5° |
| C17 | C19 | H26 | 109.5° | 109.5° |
| C19 | C17 | H25 | 90.5° | 109.5° |
| C22 | C21 | C20 | 110.1° | 109.5° |
| C21 | C22 | C23 | 112.0° | 109.5° |
| C21 | C22 | H33 | 108.9° | 109.5° |
| C21 | C22 | H32 | 108.9° | 109.5° |
| C22 | C21 | H31 | 109.3° | 109.5° |
| C22 | C21 | H30 | 109.3° | 109.5° |
| C21 | C20 | C14 | 115.7° | 109.5° |
| C21 | C20 | C25 | 109.3° | 109.5° |
| C21 | C20 | H29 | 105.5° | 109.5° |
| C20 | C21 | H31 | 109.3° | 109.5° |
| C20 | C21 | H30 | 109.3° | 109.4° |
| C22 | C23 | C24 | 110.7° | 109.5° |
| C22 | C23 | H35 | 109.1° | 109.5° |
| C22 | C23 | H34 | 109.2° | 109.5° |
| C23 | C22 | H33 | 108.8° | 109.4° |
| C23 | C22 | H32 | 108.8° | 109.5° |
| C20 | C14 | C15 | 115.6° | 109.5° |
| C14 | C20 | C25 | 114.9° | 109.5° |
| C20 | C14 | H1 | 107.4° | 109.5° |
| C14 | C20 | H29 | 105.1° | 109.5° |
| C14 | C15 | N3 | 110.6° | 109.5° |
| C15 | C14 | H1 | 107.4° | 109.4° |
| C14 | C15 | H20 | 109.2° | 109.4° |
| C14 | C15 | H19 | 109.2° | 109.5° |
| C16 | C17 | C18 | 119.1° | 109.5° |
| C17 | C16 | N3 | 115.6° | 120.0° |
| C17 | C16 | O1 | 120.9° | 120.0° |
| C16 | C17 | H25 | 90.5° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C18 | C17 | H25 | 90.5° | 109.5° |
| C17 | C18 | H28 | 109.5° | 109.5° |
| C16 | N3 | C15 | 122.0° | 120.0° |
| N3 | C16 | O1 | 123.5° | 120.0° |
| C16 | N3 | H21 | 119.0° | 120.0° |
| C15 | N3 | H21 | 119.0° | 120.0° |
| N3 | C15 | H20 | 109.2° | 109.5° |
| N3 | C15 | H19 | 109.2° | 109.5° |
| C20 | C25 | C24 | 111.3° | 109.5° |
| C25 | C20 | H29 | 105.2° | 109.5° |
| C20 | C25 | H38 | 109.0° | 109.5° |
| C20 | C25 | H39 | 109.0° | 109.5° |
| C23 | C24 | C25 | 112.2° | 109.5° |
| C23 | C24 | H36 | 108.8° | 109.5° |
| C23 | C24 | H37 | 108.8° | 109.5° |
| C24 | C23 | H35 | 109.2° | 109.4° |
| C24 | C23 | H34 | 109.1° | 109.5° |
| C24 | C25 | H38 | 109.0° | 109.4° |
| C24 | C25 | H39 | 109.0° | 109.4° |
| C25 | C24 | H36 | 108.8° | 109.4° |
| C25 | C24 | H37 | 108.8° | 109.5° |
| H6 | C2 | H8 | 109.4° | 109.4° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H8 | C2 | H7 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.6° |
| H15 | C12 | H16 | 109.5° | 109.4° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H20 | C15 | H19 | 109.5° | 109.5° |
| H24 | C18 | H23 | 109.5° | 109.5° |
| H24 | C18 | H28 | 109.5° | 109.5° |
| H23 | C18 | H28 | 109.4° | 109.4° |
| H27 | C19 | H22 | 109.5° | 109.5° |
| H27 | C19 | H26 | 109.5° | 109.4° |
| H22 | C19 | H26 | 109.5° | 109.4° |
| H38 | C25 | H39 | 109.5° | 109.5° |
| H36 | C24 | H37 | 109.5° | 109.5° |
| H35 | C23 | H34 | 109.5° | 109.5° |
| H33 | C22 | H32 | 109.5° | 109.5° |
| H31 | C21 | H30 | 109.5° | 109.4° |
| H4 | C | H2 | 109.5° | 109.5° |
| H4 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 125.0° | 120.0° |
| C | C1 | C2 | H5 | 116.2° | 119.9° |
| C | C1 | C3 | H5 | 116.5° | 120.0° |
| C | C1 | C3 | C27 | 85.1° | 60.0° |
| C | C1 | C3 | C4 | 96.7° | 120.3° |
| C | C1 | C2 | H6 | 180.0° | 180.0° |
| C | C1 | C2 | H8 | 60.0° | 60.0° |
| C | C1 | C2 | H7 | 60.0° | 60.0° |
| C1 | C | H4 | H2 | 120.0° | 120.1° |
| C1 | C | H4 | H3 | 120.0° | 119.9° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | C3 | H5 | 118.8° | 120.0° |
| C2 | C1 | C3 | C27 | 150.2° | 60.0° |
| C2 | C1 | C3 | C4 | 28.0° | 119.8° |
| C1 | C2 | H6 | H8 | 120.0° | 120.0° |
| C1 | C2 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | H8 | H7 | 120.0° | 120.0° |
| C2 | C1 | C | H4 | 180.0° | 60.0° |
| C2 | C1 | C | H2 | 60.0° | 60.0° |
| C2 | C1 | C | H3 | 60.0° | 180.0° |
| C1 | C3 | C27 | C4 | 178.2° | 179.7° |
| C1 | C3 | C27 | C26 | 177.4° | 179.8° |
| C1 | C3 | C4 | C5 | 176.7° | 180.0° |
| C3 | C1 | C2 | H6 | 55.0° | 60.1° |
| C3 | C1 | C2 | H8 | 175.0° | 180.0° |
| C3 | C1 | C2 | H7 | 65.0° | 59.9° |
| C1 | C3 | C4 | H9 | 3.3° | 0.0° |
| C1 | C3 | C27 | H41 | 2.6° | 0.0° |
| C3 | C1 | C | H4 | 52.7° | 60.0° |
| C3 | C1 | C | H2 | 67.4° | 180.0° |
| C3 | C1 | C | H3 | 172.7° | 60.0° |
| C3 | C27 | C26 | H41 | 180.0° | 179.8° |
| C27 | C3 | C4 | C5 | 1.5° | 0.2° |
| C3 | C27 | C26 | C6 | 0.2° | 0.4° |
| C27 | C3 | C1 | H5 | 31.4° | 180.0° |
| C27 | C3 | C4 | H9 | 178.5° | 179.7° |
| C3 | C27 | C26 | H40 | 179.8° | 179.7° |
| C4 | C3 | C27 | C26 | 0.8° | 0.5° |
| C3 | C4 | C5 | H9 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | C5 | S | 178.3° | 180.0° |
| C4 | C3 | C1 | H5 | 146.8° | 0.3° |
| C4 | C3 | C27 | H41 | 179.2° | 179.7° |
| C27 | C26 | C6 | H40 | 180.0° | 179.8° |
| C27 | C26 | C6 | C5 | 0.6° | 0.2° |
| C27 | C26 | C6 | N | 179.1° | 179.8° |
| C4 | C5 | C6 | C26 | 0.1° | 0.1° |
| C4 | C5 | C6 | S | 179.6° | 180.0° |
| C4 | C5 | C6 | N | 179.9° | 179.9° |
| C4 | C5 | S | C7 | 179.6° | 179.9° |
| C26 | C6 | C5 | N | 179.7° | 180.0° |
| C26 | C6 | C5 | S | 179.5° | 180.0° |
| C26 | C6 | N | C7 | 179.3° | 180.0° |
| C6 | C26 | C27 | H41 | 179.8° | 179.7° |
| C6 | C5 | S | C7 | 0.1° | 0.0° |
| C5 | C6 | N | C7 | 0.4° | 0.0° |
| C6 | C5 | C4 | H9 | 178.8° | 180.0° |
| C5 | C6 | C26 | H40 | 179.4° | 180.0° |
| S | C5 | C6 | N | 0.3° | 0.0° |
| C5 | S | C7 | N | 0.1° | 0.0° |
| C5 | S | C7 | C8 | 179.5° | 180.0° |
| S | C5 | C4 | H9 | 1.7° | 0.1° |
| C6 | N | C7 | S | 0.3° | 0.0° |
| C6 | N | C7 | C8 | 179.3° | 180.0° |
| N | C6 | C26 | H40 | 0.9° | 0.0° |
| S | C7 | N | C8 | 179.6° | 180.0° |
| S | C7 | C8 | C9 | 98.1° | 90.0° |
| S | C7 | C8 | H10 | 141.6° | 30.0° |
| S | C7 | C8 | H11 | 22.2° | 149.9° |
| N | C7 | C8 | C9 | 82.3° | 90.0° |
| N | C7 | C8 | H10 | 37.9° | 150.0° |
| N | C7 | C8 | H11 | 157.4° | 30.1° |
| C7 | C8 | C9 | H10 | 120.3° | 120.0° |
| C7 | C8 | C9 | H11 | 120.3° | 120.0° |
| C7 | C8 | C9 | N1 | 59.9° | 65.0° |
| C7 | C8 | C9 | C13 | 176.5° | 175.0° |
| C7 | C8 | H10 | H11 | 119.1° | 120.0° |
| C7 | C8 | C9 | H | 62.1° | 55.0° |
| C10 | C11 | C12 | H13 | 119.7° | 120.0° |
| C10 | C11 | C12 | H14 | 119.7° | 119.9° |
| C11 | C10 | O | N1 | 179.8° | 179.9° |
| C11 | C10 | N1 | C9 | 179.4° | 180.0° |
| C11 | C10 | N1 | H12 | 0.6° | 0.0° |
| C10 | C11 | H13 | H14 | 120.8° | 120.0° |
| C10 | C11 | C12 | H15 | 180.0° | 179.9° |
| C10 | C11 | C12 | H16 | 60.0° | 60.0° |
| C10 | C11 | C12 | H17 | 60.0° | 60.0° |
| C12 | C11 | C10 | O | 74.8° | 0.1° |
| C12 | C11 | C10 | N1 | 105.4° | 180.0° |
| C12 | C11 | H13 | H14 | 120.8° | 120.1° |
| C11 | C12 | H15 | H16 | 120.0° | 119.9° |
| C11 | C12 | H15 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| O | C10 | N1 | C9 | 0.5° | 0.1° |
| O | C10 | N1 | H12 | 179.5° | 179.9° |
| O | C10 | C11 | H13 | 165.5° | 119.9° |
| O | C10 | C11 | H14 | 44.9° | 120.0° |
| C10 | N1 | C9 | C8 | 135.3° | 60.0° |
| C10 | N1 | C9 | H12 | 180.0° | 180.0° |
| C10 | N1 | C9 | C13 | 106.2° | 60.0° |
| C10 | N1 | C9 | H | 13.8° | 180.0° |
| N1 | C10 | C11 | H13 | 14.4° | 60.0° |
| N1 | C10 | C11 | H14 | 134.9° | 60.1° |
| C8 | C9 | N1 | C13 | 118.5° | 120.0° |
| C8 | C9 | N1 | H | 121.5° | 120.0° |
| C8 | C9 | C13 | H | 121.4° | 120.0° |
| C8 | C9 | C13 | O2 | 53.0° | 100.0° |
| C8 | C9 | C13 | N2 | 126.0° | 80.0° |
| C8 | C9 | N1 | H12 | 44.7° | 120.0° |
| C9 | C8 | H10 | H11 | 119.2° | 120.0° |
| N1 | C9 | C13 | H | 120.6° | 120.0° |
| N1 | C9 | C13 | O2 | 65.1° | 20.0° |
| N1 | C9 | C13 | N2 | 116.0° | 160.0° |
| N1 | C9 | C8 | H10 | 179.8° | 175.0° |
| N1 | C9 | C8 | H11 | 60.3° | 55.0° |
| C9 | C13 | O2 | N2 | 178.9° | 180.0° |
| C9 | C13 | N2 | C14 | 178.8° | 180.0° |
| C13 | C9 | N1 | H12 | 73.9° | 120.0° |
| C9 | C13 | N2 | H18 | 1.2° | 0.0° |
| C13 | C9 | C8 | H10 | 63.2° | 55.0° |
| C13 | C9 | C8 | H11 | 56.3° | 65.0° |
| O2 | C13 | N2 | C14 | 2.2° | 0.0° |
| O2 | C13 | N2 | H18 | 177.8° | 180.0° |
| O2 | C13 | C9 | H | 174.3° | 140.0° |
| C13 | N2 | C14 | H18 | 180.0° | 180.0° |
| C13 | N2 | C14 | C20 | 85.2° | 85.0° |
| C13 | N2 | C14 | C15 | 148.1° | 155.0° |
| N2 | C13 | C9 | H | 4.6° | 40.0° |
| C13 | N2 | C14 | H1 | 31.8° | 35.0° |
| N2 | C14 | C20 | C21 | 46.4° | 180.0° |
| N2 | C14 | C20 | C15 | 122.2° | 120.0° |
| N2 | C14 | C20 | H1 | 117.9° | 120.0° |
| N2 | C14 | C15 | H1 | 117.1° | 119.9° |
| N2 | C14 | C15 | N3 | 57.6° | 54.9° |
| N2 | C14 | C20 | C25 | 175.3° | 60.0° |
| N2 | C14 | C15 | H20 | 177.8° | 65.0° |
| N2 | C14 | C15 | H19 | 62.5° | 175.0° |
| N2 | C14 | C20 | H29 | 69.5° | 60.0° |
| C19 | C17 | C16 | C18 | 178.4° | 120.0° |
| C19 | C17 | C16 | H25 | 90.8° | 120.0° |
| C19 | C17 | C18 | H25 | 90.9° | 120.0° |
| C19 | C17 | C16 | N3 | 83.9° | 60.0° |
| C19 | C17 | C16 | O1 | 96.8° | 120.0° |
| C19 | C17 | C18 | H24 | 180.0° | 60.0° |
| C19 | C17 | C18 | H23 | 60.0° | 60.0° |
| C17 | C19 | H27 | H22 | 120.0° | 120.0° |
| C17 | C19 | H27 | H26 | 120.0° | 120.0° |
| C17 | C19 | H22 | H26 | 120.0° | 120.0° |
| C19 | C17 | C18 | H28 | 60.0° | 180.0° |
| C22 | C21 | C20 | H31 | 120.1° | 120.0° |
| C22 | C21 | C20 | H30 | 120.1° | 120.0° |
| C21 | C22 | C23 | H33 | 120.4° | 120.0° |
| C21 | C22 | C23 | H32 | 120.4° | 120.0° |
| C22 | C21 | C20 | C14 | 159.9° | 180.0° |
| C22 | C21 | C20 | C25 | 68.5° | 60.0° |
| C21 | C22 | C23 | C24 | 27.2° | 60.0° |
| C22 | C21 | C20 | H29 | 44.2° | 60.0° |
| C21 | C22 | C23 | H35 | 93.0° | 60.0° |
| C21 | C22 | C23 | H34 | 147.4° | 180.0° |
| C21 | C22 | H33 | H32 | 118.9° | 120.0° |
| C22 | C21 | H31 | H30 | 119.7° | 120.0° |
| C20 | C21 | C22 | C23 | 35.5° | 60.0° |
| C21 | C20 | C14 | C25 | 128.9° | 120.0° |
| C21 | C20 | C14 | H29 | 115.9° | 120.0° |
| C21 | C20 | C14 | C15 | 75.8° | 60.0° |
| C21 | C20 | C25 | H29 | 112.9° | 120.0° |
| C21 | C20 | C25 | C24 | 33.3° | 60.0° |
| C21 | C20 | C14 | H1 | 164.3° | 60.0° |
| C21 | C20 | C25 | H38 | 87.0° | 60.0° |
| C21 | C20 | C25 | H39 | 153.6° | 180.0° |
| C20 | C21 | C22 | H33 | 84.9° | 180.0° |
| C20 | C21 | C22 | H32 | 155.8° | 60.0° |
| C20 | C21 | H31 | H30 | 119.7° | 120.0° |
| C22 | C23 | C24 | H35 | 120.2° | 120.0° |
| C22 | C23 | C24 | H34 | 120.2° | 120.0° |
| C22 | C23 | C24 | C25 | 62.4° | 60.0° |
| C22 | C23 | C24 | H36 | 177.2° | 180.0° |
| C22 | C23 | C24 | H37 | 58.0° | 60.0° |
| C22 | C23 | H35 | H34 | 119.4° | 120.0° |
| C23 | C22 | H33 | H32 | 118.8° | 120.0° |
| C23 | C22 | C21 | H31 | 84.6° | 180.0° |
| C23 | C22 | C21 | H30 | 155.6° | 60.0° |
| C20 | C14 | C15 | H1 | 119.8° | 120.0° |
| C20 | C14 | C15 | N3 | 179.3° | 175.0° |
| C14 | C20 | C25 | H29 | 115.1° | 120.0° |
| C14 | C20 | C25 | C24 | 165.3° | 180.0° |
| C20 | C14 | N2 | H18 | 94.8° | 95.0° |
| C20 | C14 | C15 | H20 | 59.1° | 55.0° |
| C20 | C14 | C15 | H19 | 60.6° | 65.0° |
| C14 | C20 | C25 | H38 | 45.0° | 60.0° |
| C14 | C20 | C25 | H39 | 74.4° | 60.0° |
| C14 | C20 | C21 | H31 | 80.0° | 60.0° |
| C14 | C20 | C21 | H30 | 39.8° | 60.0° |
| C14 | C15 | N3 | C16 | 68.3° | 180.0° |
| C14 | C15 | N3 | H20 | 120.1° | 120.0° |
| C14 | C15 | N3 | H19 | 120.2° | 120.0° |
| C15 | C14 | C20 | C25 | 53.0° | 180.0° |
| C15 | C14 | N2 | H18 | 31.9° | 25.0° |
| C14 | C15 | N3 | H21 | 111.7° | 0.0° |
| C14 | C15 | H20 | H19 | 119.5° | 120.0° |
| C15 | C14 | C20 | H29 | 168.2° | 60.0° |
| C16 | C17 | C18 | H25 | 90.8° | 120.0° |
| C17 | C16 | N3 | O1 | 179.3° | 180.0° |
| C17 | C16 | N3 | C15 | 178.7° | 180.0° |
| C17 | C16 | N3 | H21 | 1.3° | 0.0° |
| C16 | C17 | C18 | H24 | 1.8° | 60.0° |
| C16 | C17 | C18 | H23 | 121.8° | 180.0° |
| C16 | C17 | C19 | H27 | 180.0° | 60.0° |
| C16 | C17 | C19 | H22 | 60.0° | 60.0° |
| C16 | C17 | C19 | H26 | 60.0° | 180.0° |
| C16 | C17 | C18 | H28 | 118.3° | 60.0° |
| C18 | C17 | C16 | N3 | 97.7° | 180.0° |
| C18 | C17 | C16 | O1 | 81.6° | 0.1° |
| C17 | C18 | H24 | H23 | 120.0° | 120.0° |
| C17 | C18 | H24 | H28 | 120.0° | 120.0° |
| C17 | C18 | H23 | H28 | 120.0° | 120.0° |
| C18 | C17 | C19 | H27 | 1.7° | 60.0° |
| C18 | C17 | C19 | H22 | 121.7° | 180.0° |
| C18 | C17 | C19 | H26 | 118.3° | 60.0° |
| C16 | N3 | C15 | H21 | 180.0° | 180.0° |
| C16 | N3 | C15 | H20 | 51.9° | 60.0° |
| C16 | N3 | C15 | H19 | 171.6° | 60.0° |
| N3 | C16 | C17 | H25 | 6.9° | 60.0° |
| C15 | N3 | C16 | O1 | 0.7° | 0.0° |
| N3 | C15 | C14 | H1 | 59.4° | 65.0° |
| N3 | C15 | H20 | H19 | 119.5° | 120.0° |
| C20 | C25 | C24 | C23 | 29.4° | 60.0° |
| C20 | C25 | C24 | H38 | 120.3° | 120.1° |
| C20 | C25 | C24 | H39 | 120.3° | 120.0° |
| C25 | C20 | C14 | H1 | 66.8° | 60.0° |
| C20 | C25 | H38 | H39 | 119.1° | 120.1° |
| C20 | C25 | C24 | H36 | 149.8° | 180.0° |
| C20 | C25 | C24 | H37 | 91.0° | 60.0° |
| C25 | C20 | C21 | H31 | 51.6° | 180.0° |
| C25 | C20 | C21 | H30 | 171.3° | 60.0° |
| O1 | C16 | N3 | H21 | 179.3° | 180.0° |
| O1 | C16 | C17 | H25 | 172.5° | 120.0° |
| C23 | C24 | C25 | H36 | 120.4° | 120.0° |
| C23 | C24 | C25 | H37 | 120.4° | 120.0° |
| C23 | C24 | C25 | H38 | 149.7° | 60.0° |
| C23 | C24 | C25 | H39 | 90.8° | 180.0° |
| C23 | C24 | H36 | H37 | 118.8° | 120.0° |
| C24 | C23 | H35 | H34 | 119.4° | 120.0° |
| C24 | C23 | C22 | H33 | 147.6° | 180.0° |
| C24 | C23 | C22 | H32 | 93.2° | 60.0° |
| C24 | C25 | C20 | H29 | 79.6° | 60.0° |
| C24 | C25 | H38 | H39 | 119.2° | 119.9° |
| C25 | C24 | H36 | H37 | 118.8° | 120.0° |
| C25 | C24 | C23 | H35 | 57.8° | 60.0° |
| C25 | C24 | C23 | H34 | 177.4° | 180.0° |
| H5 | C1 | C2 | H6 | 63.8° | 60.0° |
| H5 | C1 | C2 | H8 | 56.1° | 59.9° |
| H5 | C1 | C2 | H7 | 176.2° | 180.0° |
| H5 | C1 | C | H4 | 63.9° | 179.9° |
| H5 | C1 | C | H2 | 176.1° | 59.9° |
| H5 | C1 | C | H3 | 56.1° | 60.1° |
| H12 | N1 | C9 | H | 166.1° | 0.0° |
| H6 | C2 | H8 | H7 | 120.0° | 120.0° |
| H18 | N2 | C14 | H1 | 148.2° | 145.0° |
| H21 | N3 | C15 | H20 | 128.1° | 120.0° |
| H21 | N3 | C15 | H19 | 8.4° | 120.0° |
| H10 | C8 | C9 | H | 58.2° | 65.0° |
| H11 | C8 | C9 | H | 177.6° | 175.0° |
| H13 | C11 | C12 | H15 | 60.3° | 60.1° |
| H13 | C11 | C12 | H16 | 179.7° | 180.0° |
| H13 | C11 | C12 | H17 | 59.7° | 60.0° |
| H14 | C11 | C12 | H15 | 60.3° | 60.0° |
| H14 | C11 | C12 | H16 | 59.7° | 59.9° |
| H14 | C11 | C12 | H17 | 179.7° | 180.0° |
| H15 | C12 | H16 | H17 | 120.0° | 120.1° |
| H1 | C14 | C15 | H20 | 60.7° | 175.0° |
| H1 | C14 | C15 | H19 | 179.6° | 55.0° |
| H1 | C14 | C20 | H29 | 48.4° | 180.0° |
| H24 | C18 | H23 | H28 | 120.0° | 120.0° |
| H24 | C18 | C17 | H25 | 89.1° | 180.0° |
| H23 | C18 | C17 | H25 | 31.0° | 60.0° |
| H27 | C19 | H22 | H26 | 120.0° | 119.9° |
| H27 | C19 | C17 | H25 | 89.2° | 180.0° |
| H22 | C19 | C17 | H25 | 30.8° | 60.0° |
| H26 | C19 | C17 | H25 | 150.8° | 60.0° |
| H29 | C20 | C25 | H38 | 160.1° | 180.0° |
| H29 | C20 | C25 | H39 | 40.7° | 60.0° |
| H29 | C20 | C21 | H31 | 164.3° | 60.0° |
| H29 | C20 | C21 | H30 | 75.9° | 180.0° |
| H38 | C25 | C24 | H36 | 89.9° | 59.9° |
| H38 | C25 | C24 | H37 | 29.3° | 180.0° |
| H39 | C25 | C24 | H36 | 29.6° | 60.0° |
| H39 | C25 | C24 | H37 | 148.8° | 60.0° |
| H36 | C24 | C23 | H35 | 62.6° | 60.0° |
| H36 | C24 | C23 | H34 | 57.0° | 60.0° |
| H37 | C24 | C23 | H35 | 178.2° | 180.0° |
| H37 | C24 | C23 | H34 | 62.2° | 60.0° |
| H35 | C23 | C22 | H33 | 27.4° | 60.0° |
| H35 | C23 | C22 | H32 | 146.7° | 179.9° |
| H34 | C23 | C22 | H33 | 92.2° | 60.0° |
| H34 | C23 | C22 | H32 | 27.0° | 60.0° |
| H33 | C22 | C21 | H31 | 155.0° | 60.0° |
| H33 | C22 | C21 | H30 | 35.2° | 60.0° |
| H32 | C22 | C21 | H31 | 35.7° | 60.1° |
| H32 | C22 | C21 | H30 | 84.1° | 180.0° |
| H40 | C26 | C27 | H41 | 0.2° | 0.1° |
| H4 | C | H2 | H3 | 120.0° | 120.0° |
| H25 | C17 | C18 | H28 | 150.9° | 60.0° |
