S39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | N2 | sing | 1.31Å | 1.32Å | Aromatic |
| C8 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C13 | C5 | doub | 1.41Å | 1.43Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.42Å | |
| C27 | N4 | doub | 1.28Å | 1.29Å | Aromatic |
| C27 | S | sing | 1.71Å | 1.73Å | Aromatic |
| N4 | C25 | sing | 1.35Å | 1.40Å | Aromatic |
| N1 | C4 | sing | 1.35Å | 1.36Å | |
| S | C26 | sing | 1.76Å | 1.74Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.41Å | 1.39Å | Aromatic |
| C26 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C24 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| O | C | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C18 | sing | 1.51Å | 1.52Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C23 | C22 | doub | 1.37Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | N3 | sing | 1.40Å | 1.41Å | |
| C | N3 | sing | 1.35Å | 1.35Å | |
| C | C1 | sing | 1.51Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| N | C14 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | CL | sing | 1.74Å | 1.74Å | |
| C20 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 120.7° | 119.5° |
| C9 | C10 | C11 | 120.6° | 121.1° |
| C9 | C10 | H5 | 119.7° | 119.5° |
| C10 | C9 | H14 | 119.6° | 120.2° |
| C9 | C8 | C7 | 123.0° | 122.0° |
| C9 | C8 | C13 | 119.1° | 119.3° |
| C8 | C9 | H14 | 119.7° | 120.3° |
| C10 | C11 | C12 | 120.7° | 121.0° |
| C11 | C10 | H5 | 119.7° | 119.5° |
| C10 | C11 | H13 | 119.6° | 119.5° |
| C8 | C7 | N2 | 124.1° | 120.2° |
| C7 | C8 | C13 | 117.9° | 118.7° |
| C8 | C7 | H4 | 118.0° | 119.9° |
| C7 | N2 | C6 | 117.4° | 122.9° |
| N2 | C7 | H4 | 117.9° | 119.9° |
| C8 | C13 | C12 | 118.0° | 119.6° |
| C8 | C13 | C5 | 118.1° | 118.2° |
| C11 | C12 | C13 | 121.0° | 119.5° |
| C11 | C12 | H12 | 119.5° | 120.3° |
| C12 | C11 | H13 | 119.7° | 119.5° |
| N2 | C6 | C5 | 125.4° | 121.5° |
| N2 | C6 | H3 | 117.3° | 119.2° |
| C12 | C13 | C5 | 123.9° | 122.2° |
| C13 | C12 | H12 | 119.5° | 120.2° |
| C13 | C5 | C6 | 117.1° | 118.5° |
| C13 | C5 | N1 | 119.3° | 120.8° |
| C6 | C5 | N1 | 123.3° | 120.8° |
| C5 | C6 | H3 | 117.3° | 119.2° |
| C5 | N1 | C4 | 127.5° | 120.0° |
| C5 | N1 | H1 | 116.3° | 120.0° |
| N4 | C27 | S | 117.1° | 111.5° |
| C27 | N4 | C25 | 110.0° | 117.9° |
| N4 | C27 | H22 | 121.4° | 124.3° |
| C27 | S | C26 | 88.7° | 90.8° |
| S | C27 | H22 | 121.5° | 124.2° |
| N4 | C25 | C26 | 114.8° | 111.8° |
| N4 | C25 | C24 | 126.5° | 129.6° |
| N1 | C4 | C3 | 115.0° | 120.0° |
| N1 | C4 | O1 | 122.9° | 120.0° |
| C4 | N1 | H1 | 116.3° | 120.0° |
| S | C26 | C25 | 109.4° | 108.0° |
| S | C26 | C23 | 129.3° | 131.5° |
| C26 | C25 | C24 | 118.7° | 118.6° |
| C25 | C26 | C23 | 121.3° | 120.5° |
| C25 | C24 | C21 | 120.1° | 120.2° |
| C25 | C24 | H8 | 120.0° | 119.9° |
| C26 | C23 | C22 | 119.2° | 120.2° |
| C26 | C23 | H23 | 120.4° | 119.9° |
| C3 | C4 | O1 | 122.1° | 120.0° |
| C4 | C3 | C2 | 109.8° | 109.4° |
| C4 | C3 | C18 | 111.4° | 109.4° |
| C4 | C3 | H11 | 108.3° | 109.4° |
| C24 | C21 | C22 | 120.3° | 120.5° |
| C24 | C21 | N3 | 120.6° | 119.7° |
| C21 | C24 | H8 | 119.9° | 119.9° |
| O | C | N3 | 124.5° | 120.0° |
| O | C | C1 | 121.1° | 120.0° |
| C2 | C3 | C18 | 110.5° | 109.9° |
| C3 | C2 | N | 110.2° | 108.5° |
| C2 | C3 | H11 | 108.3° | 109.3° |
| C3 | C2 | H15 | 109.3° | 109.7° |
| C3 | C2 | H16 | 109.3° | 109.6° |
| C3 | C18 | C19 | 120.8° | 118.4° |
| C3 | C18 | C15 | 119.9° | 121.7° |
| C18 | C3 | H11 | 108.4° | 109.4° |
| C2 | N | C1 | 111.9° | 111.0° |
| C2 | N | C14 | 110.7° | 110.3° |
| N | C2 | H15 | 109.3° | 109.7° |
| N | C2 | H16 | 109.3° | 109.6° |
| C23 | C22 | C21 | 120.4° | 120.0° |
| C23 | C22 | H7 | 119.8° | 120.0° |
| C22 | C23 | H23 | 120.4° | 119.9° |
| C22 | C21 | N3 | 119.1° | 119.8° |
| C21 | C22 | H7 | 119.8° | 120.0° |
| C21 | N3 | C | 127.8° | 120.0° |
| C21 | N3 | H2 | 116.1° | 120.0° |
| N3 | C | C1 | 114.4° | 120.0° |
| C | N3 | H2 | 116.1° | 120.0° |
| C | C1 | N | 114.2° | 109.5° |
| C | C1 | H20 | 108.3° | 109.5° |
| C | C1 | H21 | 108.3° | 109.4° |
| C1 | N | C14 | 110.3° | 111.0° |
| N | C1 | H20 | 108.3° | 109.5° |
| N | C1 | H21 | 108.3° | 109.5° |
| N | C14 | C15 | 112.6° | 110.5° |
| N | C14 | H17 | 108.7° | 109.2° |
| N | C14 | H18 | 108.7° | 109.2° |
| C19 | C18 | C15 | 119.2° | 119.8° |
| C18 | C19 | C20 | 119.7° | 120.3° |
| C18 | C19 | H10 | 120.1° | 119.8° |
| C18 | C15 | C14 | 121.7° | 121.8° |
| C18 | C15 | C16 | 119.2° | 119.8° |
| C19 | C20 | CL | 119.2° | 120.1° |
| C19 | C20 | C17 | 121.6° | 119.8° |
| C20 | C19 | H10 | 120.1° | 119.9° |
| C14 | C15 | C16 | 119.1° | 118.4° |
| C15 | C14 | H17 | 108.7° | 109.3° |
| C15 | C14 | H18 | 108.7° | 109.3° |
| C15 | C16 | C17 | 121.2° | 120.4° |
| C15 | C16 | H9 | 119.4° | 119.8° |
| CL | C20 | C17 | 119.2° | 120.1° |
| C20 | C17 | C16 | 118.9° | 119.8° |
| C20 | C17 | H6 | 120.6° | 120.1° |
| C16 | C17 | H6 | 120.5° | 120.1° |
| C17 | C16 | H9 | 119.4° | 119.8° |
| H15 | C2 | H16 | 109.4° | 109.8° |
| H17 | C14 | H18 | 109.4° | 109.3° |
| H20 | C1 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H14 | 180.0° | 179.6° |
| C9 | C10 | C11 | H5 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 179.1° | 179.7° |
| C10 | C9 | C8 | C13 | 1.1° | 0.5° |
| C9 | C10 | C11 | C12 | 0.8° | 0.2° |
| C9 | C10 | C11 | H13 | 179.2° | 179.8° |
| C8 | C9 | C10 | C11 | 0.2° | 0.5° |
| C9 | C8 | C7 | C13 | 179.8° | 179.8° |
| C9 | C8 | C7 | N2 | 179.9° | 180.0° |
| C9 | C8 | C13 | C12 | 0.9° | 0.2° |
| C9 | C8 | C13 | C5 | 179.0° | 179.7° |
| C9 | C8 | C7 | H4 | 0.1° | 0.2° |
| C8 | C9 | C10 | H5 | 179.8° | 179.7° |
| C10 | C11 | C12 | H13 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.9° | 0.1° |
| C10 | C11 | C12 | H12 | 179.1° | 180.0° |
| C11 | C10 | C9 | H14 | 179.8° | 180.0° |
| C8 | C7 | N2 | H4 | 180.0° | 179.8° |
| C8 | C7 | N2 | C6 | 0.3° | 0.3° |
| C7 | C8 | C13 | C12 | 179.2° | 180.0° |
| C7 | C8 | C13 | C5 | 0.9° | 0.0° |
| C7 | C8 | C9 | H14 | 0.9° | 0.2° |
| N2 | C7 | C8 | C13 | 0.1° | 0.2° |
| C7 | N2 | C6 | C5 | 0.6° | 0.0° |
| C7 | N2 | C6 | H3 | 179.4° | 180.0° |
| C8 | C13 | C12 | C11 | 0.0° | 0.1° |
| C8 | C13 | C12 | C5 | 179.9° | 180.0° |
| C8 | C13 | C5 | C6 | 1.6° | 0.3° |
| C8 | C13 | C5 | N1 | 171.8° | 180.0° |
| C13 | C8 | C7 | H4 | 179.9° | 180.0° |
| C8 | C13 | C12 | H12 | 180.0° | 180.0° |
| C13 | C8 | C9 | H14 | 178.9° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C5 | 179.9° | 180.0° |
| C12 | C11 | C10 | H5 | 179.2° | 180.0° |
| N2 | C6 | C5 | C13 | 1.6° | 0.2° |
| N2 | C6 | C5 | H3 | 180.0° | 180.0° |
| N2 | C6 | C5 | N1 | 171.6° | 180.0° |
| C6 | N2 | C7 | H4 | 179.7° | 179.9° |
| C12 | C13 | C5 | C6 | 178.5° | 179.8° |
| C12 | C13 | C5 | N1 | 8.1° | 0.0° |
| C13 | C12 | C11 | H13 | 179.1° | 180.0° |
| C13 | C5 | C6 | N1 | 173.2° | 179.8° |
| C13 | C5 | N1 | C4 | 99.5° | 145.6° |
| C13 | C5 | N1 | H1 | 80.5° | 34.7° |
| C13 | C5 | C6 | H3 | 178.4° | 179.7° |
| C5 | C13 | C12 | H12 | 0.1° | 0.1° |
| C6 | C5 | N1 | C4 | 73.5° | 34.6° |
| C6 | C5 | N1 | H1 | 106.5° | 145.0° |
| C5 | N1 | C4 | H1 | 180.0° | 179.7° |
| C5 | N1 | C4 | C3 | 175.6° | 175.8° |
| C5 | N1 | C4 | O1 | 3.7° | 4.2° |
| N1 | C5 | C6 | H3 | 8.4° | 0.0° |
| N4 | C27 | S | H22 | 180.0° | 180.0° |
| N4 | C27 | S | C26 | 0.2° | 0.0° |
| C27 | N4 | C25 | C26 | 0.1° | 0.0° |
| C27 | N4 | C25 | C24 | 178.2° | 179.8° |
| S | C27 | N4 | C25 | 0.1° | 0.0° |
| C27 | S | C26 | C25 | 0.3° | 0.0° |
| C27 | S | C26 | C23 | 177.7° | 180.0° |
| N4 | C25 | C26 | S | 0.3° | 0.0° |
| N4 | C25 | C26 | C24 | 178.3° | 179.8° |
| N4 | C25 | C26 | C23 | 177.9° | 180.0° |
| N4 | C25 | C24 | C21 | 176.1° | 179.7° |
| N4 | C25 | C24 | H8 | 3.9° | 0.2° |
| C25 | N4 | C27 | H22 | 179.9° | 180.0° |
| N1 | C4 | C3 | O1 | 179.4° | 180.0° |
| N1 | C4 | C3 | C2 | 84.1° | 180.0° |
| N1 | C4 | C3 | C18 | 153.2° | 59.5° |
| N1 | C4 | C3 | H11 | 34.0° | 60.3° |
| S | C26 | C25 | C23 | 178.2° | 180.0° |
| S | C26 | C25 | C24 | 178.6° | 179.8° |
| S | C26 | C23 | C22 | 176.7° | 179.5° |
| C26 | S | C27 | H22 | 179.8° | 180.0° |
| S | C26 | C23 | H23 | 3.3° | 0.0° |
| C26 | C25 | C24 | C21 | 2.0° | 0.0° |
| C25 | C26 | C23 | C22 | 1.1° | 0.5° |
| C26 | C25 | C24 | H8 | 178.0° | 180.0° |
| C25 | C26 | C23 | H23 | 178.8° | 180.0° |
| C24 | C25 | C26 | C23 | 0.4° | 0.2° |
| C25 | C24 | C21 | H8 | 180.0° | 180.0° |
| C25 | C24 | C21 | C22 | 2.1° | 0.0° |
| C25 | C24 | C21 | N3 | 175.2° | 179.7° |
| C26 | C23 | C22 | H23 | 180.0° | 179.5° |
| C26 | C23 | C22 | C21 | 1.0° | 0.5° |
| C26 | C23 | C22 | H7 | 179.0° | 179.5° |
| C4 | C3 | C2 | C18 | 123.3° | 120.1° |
| C4 | C3 | C2 | H11 | 118.1° | 119.7° |
| C4 | C3 | C18 | H11 | 119.1° | 119.9° |
| C4 | C3 | C2 | N | 70.7° | 69.7° |
| C4 | C3 | C18 | C19 | 77.8° | 76.7° |
| C4 | C3 | C18 | C15 | 98.9° | 103.0° |
| C3 | C4 | N1 | H1 | 4.4° | 4.5° |
| C4 | C3 | C2 | H15 | 49.4° | 50.0° |
| C4 | C3 | C2 | H16 | 169.2° | 170.6° |
| O1 | C4 | C3 | C2 | 96.6° | 0.0° |
| O1 | C4 | C3 | C18 | 26.1° | 120.5° |
| O1 | C4 | N1 | H1 | 176.3° | 175.5° |
| O1 | C4 | C3 | H11 | 145.3° | 119.7° |
| C24 | C21 | C22 | C23 | 0.6° | 0.3° |
| C24 | C21 | C22 | N3 | 177.4° | 179.7° |
| C24 | C21 | N3 | C | 7.3° | 145.2° |
| C24 | C21 | N3 | H2 | 172.7° | 34.9° |
| C24 | C21 | C22 | H7 | 179.4° | 179.7° |
| O | C | N3 | C21 | 4.6° | 4.5° |
| O | C | N3 | C1 | 179.8° | 179.9° |
| O | C | C1 | N | 142.6° | 0.0° |
| O | C | N3 | H2 | 175.3° | 175.5° |
| O | C | C1 | H20 | 96.7° | 120.0° |
| O | C | C1 | H21 | 21.9° | 120.0° |
| C2 | C3 | C18 | H11 | 118.6° | 120.0° |
| C3 | C2 | N | H15 | 120.1° | 119.7° |
| C3 | C2 | N | H16 | 120.1° | 119.7° |
| C3 | C2 | N | C1 | 169.1° | 165.4° |
| C3 | C2 | N | C14 | 67.4° | 71.2° |
| C2 | C3 | C18 | C19 | 159.8° | 163.1° |
| C2 | C3 | C18 | C15 | 23.5° | 17.1° |
| C3 | C2 | H15 | H16 | 119.7° | 120.5° |
| C18 | C3 | C2 | N | 52.6° | 50.4° |
| C3 | C18 | C19 | C15 | 176.7° | 179.7° |
| C3 | C18 | C19 | C20 | 173.9° | 179.6° |
| C3 | C18 | C15 | C14 | 7.7° | 0.8° |
| C3 | C18 | C15 | C16 | 173.6° | 179.5° |
| C3 | C18 | C19 | H10 | 6.1° | 0.4° |
| C18 | C3 | C2 | H15 | 172.7° | 170.2° |
| C18 | C3 | C2 | H16 | 67.5° | 69.2° |
| C2 | N | C1 | C | 96.1° | 170.0° |
| C2 | N | C1 | C14 | 123.7° | 123.0° |
| C2 | N | C14 | C15 | 49.0° | 52.6° |
| N | C2 | C3 | H11 | 171.2° | 170.5° |
| N | C2 | H15 | H16 | 119.7° | 120.5° |
| C2 | N | C14 | H17 | 169.5° | 67.7° |
| C2 | N | C14 | H18 | 71.4° | 172.8° |
| C2 | N | C1 | H20 | 143.2° | 50.0° |
| C2 | N | C1 | H21 | 24.6° | 70.0° |
| C23 | C22 | C21 | H7 | 180.0° | 180.0° |
| C23 | C22 | C21 | N3 | 176.8° | 180.0° |
| C22 | C21 | N3 | C | 170.1° | 35.2° |
| C22 | C21 | N3 | H2 | 10.0° | 144.8° |
| C22 | C21 | C24 | H8 | 177.9° | 179.9° |
| C21 | C22 | C23 | H23 | 179.0° | 180.0° |
| C21 | N3 | C | H2 | 180.0° | 179.9° |
| C21 | N3 | C | C1 | 175.2° | 175.5° |
| N3 | C21 | C22 | H7 | 3.2° | 0.1° |
| N3 | C21 | C24 | H8 | 4.8° | 0.3° |
| N3 | C | C1 | N | 37.2° | 180.0° |
| N3 | C | C1 | H20 | 83.5° | 60.0° |
| N3 | C | C1 | H21 | 157.9° | 59.9° |
| C | C1 | N | H20 | 120.7° | 120.0° |
| C | C1 | N | H21 | 120.7° | 120.0° |
| C | C1 | N | C14 | 140.2° | 67.0° |
| C1 | C | N3 | H2 | 4.9° | 4.6° |
| C | C1 | H20 | H21 | 117.9° | 120.0° |
| C1 | N | C14 | C15 | 173.5° | 176.0° |
| C1 | N | C2 | H15 | 48.9° | 45.6° |
| C1 | N | C2 | H16 | 70.8° | 74.9° |
| C1 | N | C14 | H17 | 66.1° | 55.7° |
| C1 | N | C14 | H18 | 53.0° | 63.8° |
| N | C1 | H20 | H21 | 117.8° | 120.1° |
| N | C14 | C15 | C18 | 19.7° | 17.7° |
| N | C14 | C15 | H17 | 120.5° | 120.2° |
| N | C14 | C15 | H18 | 120.5° | 120.2° |
| N | C14 | C15 | C16 | 161.6° | 162.5° |
| C14 | N | C2 | H15 | 172.4° | 169.0° |
| C14 | N | C2 | H16 | 52.7° | 48.5° |
| N | C14 | H17 | H18 | 118.6° | 119.5° |
| C14 | N | C1 | H20 | 19.5° | 173.0° |
| C14 | N | C1 | H21 | 99.1° | 53.0° |
| C18 | C19 | C20 | H10 | 180.0° | 180.0° |
| C19 | C18 | C15 | C14 | 175.5° | 179.5° |
| C19 | C18 | C15 | C16 | 3.1° | 0.2° |
| C18 | C19 | C20 | CL | 178.8° | 179.9° |
| C18 | C19 | C20 | C17 | 0.4° | 0.0° |
| C19 | C18 | C3 | H11 | 41.3° | 43.1° |
| C15 | C18 | C19 | C20 | 2.9° | 0.1° |
| C18 | C15 | C14 | C16 | 178.7° | 179.7° |
| C18 | C15 | C16 | C17 | 1.0° | 0.2° |
| C18 | C15 | C16 | H9 | 178.9° | 179.8° |
| C15 | C18 | C19 | H10 | 177.2° | 179.8° |
| C15 | C18 | C3 | H11 | 142.0° | 137.1° |
| C18 | C15 | C14 | H17 | 140.2° | 102.5° |
| C18 | C15 | C14 | H18 | 100.7° | 138.0° |
| C19 | C20 | CL | C17 | 179.2° | 180.0° |
| C19 | C20 | C17 | C16 | 1.7° | 0.1° |
| C19 | C20 | C17 | H6 | 178.3° | 179.9° |
| C14 | C15 | C16 | C17 | 177.7° | 179.6° |
| C14 | C15 | C16 | H9 | 2.3° | 0.4° |
| C15 | C14 | H17 | H18 | 118.6° | 119.5° |
| C15 | C16 | C17 | C20 | 1.4° | 0.0° |
| C15 | C16 | C17 | H9 | 180.0° | 180.0° |
| C15 | C16 | C17 | H6 | 178.6° | 180.0° |
| C16 | C15 | C14 | H17 | 41.1° | 77.2° |
| C16 | C15 | C14 | H18 | 78.0° | 42.3° |
| CL | C20 | C17 | C16 | 179.1° | 179.9° |
| CL | C20 | C17 | H6 | 0.9° | 0.1° |
| CL | C20 | C19 | H10 | 1.2° | 0.0° |
| C20 | C17 | C16 | H6 | 180.0° | 180.0° |
| C20 | C17 | C16 | H9 | 178.6° | 180.0° |
| C17 | C20 | C19 | H10 | 179.6° | 180.0° |
| H5 | C10 | C11 | H13 | 0.8° | 0.1° |
| H5 | C10 | C9 | H14 | 0.2° | 0.1° |
| H6 | C17 | C16 | H9 | 1.4° | 0.0° |
| H7 | C22 | C23 | H23 | 1.0° | 0.0° |
| H11 | C3 | C2 | H15 | 68.6° | 69.7° |
| H11 | C3 | C2 | H16 | 51.1° | 50.9° |
| H12 | C12 | C11 | H13 | 0.9° | 0.1° |
