S4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | N3 | sing | 1.31Å | 1.33Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.42Å | 1.43Å | Aromatic |
| N3 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C21 | C22 | doub | 1.36Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C15 | doub | 1.41Å | 1.43Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N2 | sing | 1.40Å | 1.41Å | |
| N2 | C14 | sing | 1.35Å | 1.36Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | N1 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C14 | O1 | doub | 1.21Å | 1.23Å | |
| C13 | C28 | sing | 1.51Å | 1.52Å | |
| C11 | N1 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| N1 | C24 | sing | 1.47Å | 1.47Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| C10 | N | sing | 1.35Å | 1.34Å | |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | C9 | sing | 1.53Å | 1.55Å | |
| N | C9 | sing | 1.47Å | 1.47Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | CL | sing | 1.74Å | 1.74Å | |
| C30 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C8 | C | sing | 1.53Å | 1.54Å | |
| C5 | C | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C | O | sing | 1.43Å | 1.44Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| N | H19 | sing | 0.97Å | 1.00Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| O | H25 | sing | 0.97Å | 0.95Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| C19 | H33 | sing | 1.08Å | 1.08Å | |
| C16 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 120.7° | 119.5° |
| C19 | C20 | C21 | 120.5° | 121.1° |
| C19 | C20 | H13 | 119.8° | 119.5° |
| C20 | C19 | H33 | 119.7° | 120.3° |
| C19 | C18 | C17 | 123.1° | 122.0° |
| C19 | C18 | C23 | 119.1° | 119.3° |
| C18 | C19 | H33 | 119.6° | 120.2° |
| C18 | C17 | N3 | 124.2° | 120.2° |
| C17 | C18 | C23 | 117.7° | 118.8° |
| C18 | C17 | H12 | 117.9° | 120.0° |
| C17 | N3 | C16 | 117.4° | 122.9° |
| N3 | C17 | H12 | 117.9° | 119.9° |
| C20 | C21 | C22 | 120.7° | 121.0° |
| C21 | C20 | H13 | 119.7° | 119.4° |
| C20 | C21 | H14 | 119.6° | 119.5° |
| C18 | C23 | C22 | 118.0° | 119.6° |
| C18 | C23 | C15 | 118.0° | 118.2° |
| N3 | C16 | C15 | 125.3° | 121.6° |
| N3 | C16 | H34 | 117.3° | 119.2° |
| C21 | C22 | C23 | 121.0° | 119.5° |
| C22 | C21 | H14 | 119.6° | 119.5° |
| C21 | C22 | H15 | 119.5° | 120.2° |
| C22 | C23 | C15 | 124.0° | 122.2° |
| C23 | C22 | H15 | 119.5° | 120.2° |
| C23 | C15 | C16 | 117.3° | 118.4° |
| C23 | C15 | N2 | 119.7° | 120.8° |
| C16 | C15 | N2 | 122.8° | 120.8° |
| C15 | C16 | H34 | 117.3° | 119.2° |
| C15 | N2 | C14 | 126.1° | 120.0° |
| C15 | N2 | H32 | 117.0° | 120.0° |
| N2 | C14 | C13 | 115.1° | 120.0° |
| N2 | C14 | O1 | 122.7° | 120.0° |
| C14 | N2 | H32 | 117.0° | 120.0° |
| C13 | C12 | N1 | 109.0° | 108.5° |
| C12 | C13 | C14 | 107.8° | 109.4° |
| C12 | C13 | C28 | 110.1° | 109.9° |
| C12 | C13 | H11 | 109.3° | 109.3° |
| C13 | C12 | H30 | 109.6° | 109.7° |
| C13 | C12 | H31 | 109.6° | 109.6° |
| C12 | N1 | C11 | 112.0° | 111.0° |
| C12 | N1 | C24 | 111.0° | 110.2° |
| N1 | C12 | H30 | 109.6° | 109.6° |
| N1 | C12 | H31 | 109.6° | 109.6° |
| C13 | C14 | O1 | 122.2° | 120.0° |
| C14 | C13 | C28 | 110.9° | 109.4° |
| C14 | C13 | H11 | 109.3° | 109.4° |
| C13 | C28 | C29 | 120.6° | 118.4° |
| C13 | C28 | C25 | 119.9° | 121.7° |
| C28 | C13 | H11 | 109.4° | 109.4° |
| N1 | C11 | C10 | 113.5° | 109.5° |
| C11 | N1 | C24 | 112.5° | 111.0° |
| N1 | C11 | H26 | 108.5° | 109.5° |
| N1 | C11 | H27 | 108.4° | 109.5° |
| C11 | C10 | O2 | 121.4° | 120.0° |
| C11 | C10 | N | 114.6° | 120.0° |
| C10 | C11 | H26 | 108.4° | 109.5° |
| C10 | C11 | H27 | 108.4° | 109.5° |
| N1 | C24 | C25 | 112.6° | 110.5° |
| N1 | C24 | H16 | 108.7° | 109.3° |
| N1 | C24 | H17 | 108.7° | 109.3° |
| O2 | C10 | N | 123.9° | 120.0° |
| C10 | N | C9 | 128.7° | 120.0° |
| C10 | N | H19 | 115.6° | 120.0° |
| C2 | C4 | C9 | 109.8° | 109.4° |
| C4 | C2 | C3 | 109.2° | 109.4° |
| C4 | C2 | C1 | 109.4° | 109.5° |
| C2 | C4 | H2 | 109.4° | 109.5° |
| C2 | C4 | H3 | 109.4° | 109.4° |
| C4 | C2 | H20 | 109.7° | 109.4° |
| C4 | C9 | N | 112.7° | 109.4° |
| C4 | C9 | C7 | 108.9° | 109.5° |
| C4 | C9 | C8 | 109.2° | 109.5° |
| C9 | C4 | H2 | 109.4° | 109.5° |
| C9 | C4 | H3 | 109.4° | 109.5° |
| N | C9 | C7 | 106.4° | 109.5° |
| N | C9 | C8 | 110.4° | 109.5° |
| C9 | N | H19 | 115.6° | 120.0° |
| C29 | C28 | C25 | 119.5° | 119.9° |
| C28 | C29 | C30 | 119.9° | 120.4° |
| C28 | C29 | H28 | 120.1° | 119.9° |
| C28 | C25 | C24 | 121.6° | 121.8° |
| C28 | C25 | C26 | 118.9° | 119.7° |
| C2 | C3 | C6 | 109.9° | 109.5° |
| C3 | C2 | C1 | 109.3° | 109.5° |
| C3 | C2 | H20 | 109.7° | 109.4° |
| C2 | C3 | H23 | 109.4° | 109.4° |
| C2 | C3 | H24 | 109.4° | 109.5° |
| C3 | C6 | C7 | 109.5° | 109.4° |
| C3 | C6 | C5 | 109.4° | 109.5° |
| C3 | C6 | H6 | 109.5° | 109.5° |
| C6 | C3 | H23 | 109.3° | 109.5° |
| C6 | C3 | H24 | 109.3° | 109.5° |
| C9 | C7 | C6 | 109.9° | 109.5° |
| C7 | C9 | C8 | 109.1° | 109.5° |
| C9 | C7 | H7 | 109.4° | 109.4° |
| C9 | C7 | H8 | 109.4° | 109.5° |
| C7 | C6 | C5 | 109.4° | 109.5° |
| C7 | C6 | H6 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.4° | 109.5° |
| C6 | C7 | H8 | 109.4° | 109.5° |
| C2 | C1 | C | 109.4° | 109.5° |
| C1 | C2 | H20 | 109.6° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C1 | H22 | 109.5° | 109.5° |
| C29 | C30 | CL | 119.0° | 120.1° |
| C29 | C30 | C27 | 121.5° | 119.8° |
| C30 | C29 | H28 | 120.1° | 119.8° |
| C9 | C8 | C | 109.7° | 109.5° |
| C9 | C8 | H9 | 109.4° | 109.5° |
| C9 | C8 | H10 | 109.4° | 109.5° |
| C24 | C25 | C26 | 119.5° | 118.4° |
| C25 | C24 | H16 | 108.7° | 109.3° |
| C25 | C24 | H17 | 108.7° | 109.2° |
| C6 | C5 | C | 109.1° | 109.5° |
| C6 | C5 | H4 | 109.6° | 109.4° |
| C6 | C5 | H5 | 109.6° | 109.4° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C25 | C26 | C27 | 121.2° | 120.4° |
| C25 | C26 | H18 | 119.4° | 119.8° |
| CL | C30 | C27 | 119.5° | 120.1° |
| C30 | C27 | C26 | 118.9° | 119.9° |
| C30 | C27 | H29 | 120.5° | 120.1° |
| C1 | C | C8 | 109.6° | 109.5° |
| C1 | C | C5 | 109.9° | 109.4° |
| C1 | C | O | 111.7° | 109.5° |
| C | C1 | H21 | 109.5° | 109.5° |
| C | C1 | H22 | 109.5° | 109.4° |
| C8 | C | C5 | 109.9° | 109.5° |
| C8 | C | O | 109.1° | 109.5° |
| C | C8 | H9 | 109.4° | 109.5° |
| C | C8 | H10 | 109.4° | 109.5° |
| C5 | C | O | 106.7° | 109.5° |
| C | C5 | H4 | 109.5° | 109.5° |
| C | C5 | H5 | 109.5° | 109.5° |
| C27 | C26 | H18 | 119.4° | 119.8° |
| C26 | C27 | H29 | 120.5° | 120.0° |
| C | O | H25 | 109.5° | 114.0° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.2° |
| H21 | C1 | H22 | 109.5° | 109.4° |
| H23 | C3 | H24 | 109.5° | 109.4° |
| H26 | C11 | H27 | 109.5° | 109.4° |
| H30 | C12 | H31 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H33 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 179.8° | 180.0° |
| C19 | C20 | C21 | H13 | 180.0° | 179.9° |
| C20 | C19 | C18 | C23 | 0.4° | 0.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.1° |
| C19 | C20 | C21 | H14 | 179.7° | 179.9° |
| C19 | C18 | C17 | C23 | 179.4° | 179.9° |
| C19 | C18 | C17 | N3 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.1° |
| C19 | C18 | C23 | C22 | 0.4° | 0.0° |
| C19 | C18 | C23 | C15 | 179.5° | 180.0° |
| C19 | C18 | C17 | H12 | 0.5° | 0.1° |
| C18 | C19 | C20 | H13 | 179.6° | 179.9° |
| C18 | C17 | N3 | H12 | 180.0° | 179.9° |
| C18 | C17 | N3 | C16 | 0.0° | 0.0° |
| C17 | C18 | C23 | C22 | 179.8° | 180.0° |
| C17 | C18 | C23 | C15 | 0.1° | 0.0° |
| C17 | C18 | C19 | H33 | 0.2° | 0.1° |
| N3 | C17 | C18 | C23 | 0.1° | 0.0° |
| C17 | N3 | C16 | C15 | 0.0° | 0.0° |
| C17 | N3 | C16 | H34 | 180.0° | 180.0° |
| C20 | C21 | C22 | H14 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.1° |
| C20 | C21 | C22 | H15 | 179.7° | 180.0° |
| C21 | C20 | C19 | H33 | 179.7° | 180.0° |
| C18 | C23 | C22 | C21 | 0.3° | 0.1° |
| C18 | C23 | C22 | C15 | 179.9° | 180.0° |
| C18 | C23 | C15 | C16 | 0.1° | 0.1° |
| C18 | C23 | C15 | N2 | 175.4° | 180.0° |
| C23 | C18 | C17 | H12 | 179.9° | 180.0° |
| C18 | C23 | C22 | H15 | 179.6° | 180.0° |
| C23 | C18 | C19 | H33 | 179.6° | 180.0° |
| N3 | C16 | C15 | C23 | 0.0° | 0.1° |
| N3 | C16 | C15 | H34 | 180.0° | 180.0° |
| N3 | C16 | C15 | N2 | 175.1° | 180.0° |
| C16 | N3 | C17 | H12 | 180.0° | 180.0° |
| C21 | C22 | C23 | H15 | 180.0° | 179.9° |
| C21 | C22 | C23 | C15 | 179.6° | 179.9° |
| C22 | C21 | C20 | H13 | 179.7° | 180.0° |
| C22 | C23 | C15 | C16 | 179.9° | 180.0° |
| C22 | C23 | C15 | N2 | 4.5° | 0.0° |
| C23 | C22 | C21 | H14 | 179.7° | 179.9° |
| C23 | C15 | C16 | N2 | 175.1° | 180.0° |
| C23 | C15 | N2 | C14 | 88.9° | 155.2° |
| C15 | C23 | C22 | H15 | 0.5° | 0.0° |
| C23 | C15 | N2 | H32 | 91.1° | 24.7° |
| C23 | C15 | C16 | H34 | 180.0° | 180.0° |
| C16 | C15 | N2 | C14 | 86.2° | 24.9° |
| C16 | C15 | N2 | H32 | 93.8° | 155.2° |
| C15 | N2 | C14 | H32 | 180.0° | 179.9° |
| C15 | N2 | C14 | C13 | 178.2° | 174.5° |
| C15 | N2 | C14 | O1 | 0.0° | 5.5° |
| N2 | C15 | C16 | H34 | 4.9° | 0.0° |
| N2 | C14 | C13 | C12 | 75.5° | 179.6° |
| N2 | C14 | C13 | O1 | 178.2° | 180.0° |
| N2 | C14 | C13 | C28 | 163.9° | 60.0° |
| N2 | C14 | C13 | H11 | 43.1° | 59.8° |
| C13 | C12 | N1 | H30 | 119.9° | 119.7° |
| C13 | C12 | N1 | H31 | 119.9° | 119.7° |
| C12 | C13 | C14 | C28 | 120.6° | 120.4° |
| C12 | C13 | C14 | H11 | 118.7° | 119.7° |
| C12 | C13 | C14 | O1 | 102.7° | 0.5° |
| C12 | C13 | C28 | H11 | 120.2° | 120.0° |
| C13 | C12 | N1 | C11 | 164.6° | 165.3° |
| C13 | C12 | N1 | C24 | 68.8° | 71.3° |
| C12 | C13 | C28 | C29 | 157.0° | 163.1° |
| C12 | C13 | C28 | C25 | 24.4° | 16.8° |
| C13 | C12 | H30 | H31 | 120.2° | 120.5° |
| N1 | C12 | C13 | C14 | 65.7° | 69.7° |
| N1 | C12 | C13 | C28 | 55.4° | 50.4° |
| C12 | N1 | C11 | C24 | 125.9° | 123.0° |
| C12 | N1 | C11 | C10 | 154.9° | 170.9° |
| C12 | N1 | C24 | C25 | 47.0° | 52.5° |
| N1 | C12 | C13 | H11 | 175.6° | 170.5° |
| C12 | N1 | C24 | H16 | 167.5° | 172.8° |
| C12 | N1 | C24 | H17 | 73.5° | 67.8° |
| C12 | N1 | C11 | H26 | 34.3° | 51.0° |
| C12 | N1 | C11 | H27 | 84.6° | 69.0° |
| N1 | C12 | H30 | H31 | 120.2° | 120.5° |
| C14 | C13 | C28 | H11 | 120.6° | 119.9° |
| C14 | C13 | C28 | C29 | 83.8° | 76.8° |
| C14 | C13 | C28 | C25 | 94.8° | 103.3° |
| C14 | C13 | C12 | H30 | 54.2° | 170.6° |
| C14 | C13 | C12 | H31 | 174.4° | 50.0° |
| C13 | C14 | N2 | H32 | 1.8° | 5.6° |
| O1 | C14 | C13 | C28 | 17.9° | 120.0° |
| O1 | C14 | C13 | H11 | 138.6° | 120.2° |
| O1 | C14 | N2 | H32 | 180.0° | 174.4° |
| C13 | C28 | C29 | C25 | 178.6° | 179.9° |
| C13 | C28 | C29 | C30 | 176.3° | 179.8° |
| C13 | C28 | C25 | C24 | 4.9° | 0.2° |
| C13 | C28 | C25 | C26 | 175.7° | 179.7° |
| C13 | C28 | C29 | H28 | 3.6° | 0.1° |
| C28 | C13 | C12 | H30 | 175.3° | 69.3° |
| C28 | C13 | C12 | H31 | 64.5° | 170.1° |
| N1 | C11 | C10 | H26 | 120.6° | 120.0° |
| N1 | C11 | C10 | H27 | 120.6° | 120.1° |
| N1 | C11 | C10 | O2 | 153.3° | 0.1° |
| N1 | C11 | C10 | N | 26.4° | 180.0° |
| C11 | N1 | C24 | C25 | 173.4° | 175.8° |
| C11 | N1 | C24 | H16 | 66.1° | 63.8° |
| C11 | N1 | C24 | H17 | 52.9° | 55.6° |
| N1 | C11 | H26 | H27 | 118.1° | 120.0° |
| C11 | N1 | C12 | H30 | 44.6° | 75.0° |
| C11 | N1 | C12 | H31 | 75.5° | 45.6° |
| C10 | C11 | N1 | C24 | 79.3° | 66.1° |
| C11 | C10 | O2 | N | 179.6° | 179.9° |
| C11 | C10 | N | C9 | 174.6° | 180.0° |
| C11 | C10 | N | H19 | 5.5° | 0.1° |
| C10 | C11 | H26 | H27 | 118.1° | 120.0° |
| N1 | C24 | C25 | C28 | 15.2° | 17.3° |
| N1 | C24 | C25 | H16 | 120.5° | 120.3° |
| N1 | C24 | C25 | H17 | 120.5° | 120.3° |
| N1 | C24 | C25 | C26 | 165.4° | 162.6° |
| N1 | C24 | H16 | H17 | 118.6° | 119.5° |
| C24 | N1 | C11 | H26 | 160.1° | 173.9° |
| C24 | N1 | C11 | H27 | 41.3° | 54.0° |
| C24 | N1 | C12 | H30 | 171.3° | 48.4° |
| C24 | N1 | C12 | H31 | 51.1° | 169.0° |
| O2 | C10 | N | C9 | 5.8° | 0.0° |
| O2 | C10 | N | H19 | 174.2° | 180.0° |
| O2 | C10 | C11 | H26 | 86.1° | 120.0° |
| O2 | C10 | C11 | H27 | 32.7° | 120.0° |
| C10 | N | C9 | C4 | 40.8° | 60.0° |
| C10 | N | C9 | H19 | 180.0° | 179.9° |
| C10 | N | C9 | C7 | 160.1° | 60.0° |
| C10 | N | C9 | C8 | 81.6° | 180.0° |
| N | C10 | C11 | H26 | 94.2° | 60.0° |
| N | C10 | C11 | H27 | 147.0° | 59.9° |
| C2 | C4 | C9 | H2 | 120.0° | 120.0° |
| C2 | C4 | C9 | H3 | 120.0° | 119.9° |
| C2 | C4 | C9 | N | 177.5° | 180.0° |
| C4 | C2 | C3 | C1 | 119.6° | 120.0° |
| C4 | C2 | C3 | H20 | 120.2° | 119.9° |
| C4 | C2 | C3 | C6 | 60.1° | 60.1° |
| C2 | C4 | C9 | C7 | 59.6° | 60.0° |
| C4 | C2 | C1 | H20 | 120.3° | 120.0° |
| C2 | C4 | C9 | C8 | 59.4° | 60.0° |
| C4 | C2 | C1 | C | 60.0° | 60.0° |
| C2 | C4 | H2 | H3 | 119.8° | 120.0° |
| C4 | C2 | C1 | H21 | 180.0° | 179.9° |
| C4 | C2 | C1 | H22 | 59.9° | 60.0° |
| C4 | C2 | C3 | H23 | 60.0° | 179.9° |
| C4 | C2 | C3 | H24 | 179.9° | 60.0° |
| C4 | C9 | N | C7 | 119.3° | 120.0° |
| C4 | C9 | N | C8 | 122.4° | 120.0° |
| C9 | C4 | C2 | C3 | 60.0° | 60.0° |
| C4 | C9 | C7 | C8 | 119.1° | 120.0° |
| C4 | C9 | C7 | C6 | 59.5° | 60.0° |
| C9 | C4 | C2 | C1 | 59.6° | 60.0° |
| C4 | C9 | C8 | C | 59.5° | 60.0° |
| C9 | C4 | H2 | H3 | 119.8° | 120.1° |
| C4 | C9 | C7 | H7 | 179.5° | 60.0° |
| C4 | C9 | C7 | H8 | 60.6° | 179.9° |
| C4 | C9 | C8 | H9 | 60.5° | 59.9° |
| C4 | C9 | C8 | H10 | 179.6° | 180.0° |
| C4 | C9 | N | H19 | 139.2° | 120.0° |
| C9 | C4 | C2 | H20 | 179.8° | 180.0° |
| N | C9 | C7 | C8 | 119.2° | 120.0° |
| N | C9 | C7 | C6 | 178.8° | 180.0° |
| N | C9 | C8 | C | 176.1° | 180.0° |
| N | C9 | C4 | H2 | 62.5° | 60.0° |
| N | C9 | C4 | H3 | 57.4° | 60.1° |
| N | C9 | C7 | H7 | 58.8° | 60.0° |
| N | C9 | C7 | H8 | 61.1° | 60.0° |
| N | C9 | C8 | H9 | 63.9° | 60.0° |
| N | C9 | C8 | H10 | 56.0° | 60.0° |
| C28 | C29 | C30 | H28 | 180.0° | 179.9° |
| C29 | C28 | C25 | C24 | 176.6° | 179.7° |
| C29 | C28 | C25 | C26 | 2.8° | 0.4° |
| C28 | C29 | C30 | CL | 179.5° | 180.0° |
| C28 | C29 | C30 | C27 | 0.2° | 0.0° |
| C29 | C28 | C13 | H11 | 36.9° | 43.1° |
| C25 | C28 | C29 | C30 | 2.2° | 0.3° |
| C28 | C25 | C24 | C26 | 179.4° | 179.9° |
| C28 | C25 | C26 | C27 | 1.1° | 0.2° |
| C25 | C28 | C13 | H11 | 144.6° | 136.9° |
| C28 | C25 | C24 | H16 | 135.7° | 137.6° |
| C28 | C25 | C24 | H17 | 105.3° | 103.0° |
| C28 | C25 | C26 | H18 | 178.9° | 179.8° |
| C25 | C28 | C29 | H28 | 177.8° | 179.8° |
| C2 | C3 | C6 | H23 | 120.0° | 119.9° |
| C2 | C3 | C6 | H24 | 120.0° | 120.1° |
| C2 | C3 | C6 | C7 | 60.1° | 60.0° |
| C3 | C2 | C1 | H20 | 120.2° | 120.0° |
| C2 | C3 | C6 | C5 | 59.9° | 59.9° |
| C3 | C2 | C1 | C | 59.5° | 60.0° |
| C3 | C2 | C4 | H2 | 180.0° | 60.0° |
| C3 | C2 | C4 | H3 | 60.1° | 180.0° |
| C2 | C3 | C6 | H6 | 179.9° | 180.0° |
| C3 | C2 | C1 | H21 | 60.5° | 60.1° |
| C3 | C2 | C1 | H22 | 179.5° | 180.0° |
| C2 | C3 | H23 | H24 | 119.8° | 120.0° |
| C3 | C6 | C7 | C9 | 59.9° | 60.0° |
| C3 | C6 | C7 | C5 | 119.9° | 120.0° |
| C3 | C6 | C7 | H6 | 120.1° | 120.0° |
| C6 | C3 | C2 | C1 | 59.5° | 60.0° |
| C3 | C6 | C5 | H6 | 120.1° | 120.0° |
| C3 | C6 | C5 | C | 60.0° | 60.0° |
| C3 | C6 | C5 | H4 | 179.9° | 180.0° |
| C3 | C6 | C5 | H5 | 60.0° | 60.0° |
| C3 | C6 | C7 | H7 | 179.9° | 60.0° |
| C3 | C6 | C7 | H8 | 60.2° | 180.0° |
| C6 | C3 | C2 | H20 | 179.7° | 180.0° |
| C6 | C3 | H23 | H24 | 119.8° | 120.0° |
| C9 | C7 | C6 | H7 | 120.1° | 120.0° |
| C9 | C7 | C6 | H8 | 120.1° | 120.0° |
| C9 | C7 | C6 | C5 | 60.0° | 60.0° |
| C7 | C9 | C8 | C | 59.4° | 60.0° |
| C7 | C9 | C4 | H2 | 179.7° | 60.0° |
| C7 | C9 | C4 | H3 | 60.4° | 179.9° |
| C9 | C7 | C6 | H6 | 180.0° | 180.0° |
| C9 | C7 | H7 | H8 | 119.9° | 120.0° |
| C7 | C9 | C8 | H9 | 179.4° | 180.0° |
| C7 | C9 | C8 | H10 | 60.6° | 60.0° |
| C7 | C9 | N | H19 | 19.9° | 120.0° |
| C6 | C7 | C9 | C8 | 59.6° | 60.0° |
| C7 | C6 | C5 | H6 | 120.0° | 120.0° |
| C7 | C6 | C5 | C | 60.0° | 60.0° |
| C7 | C6 | C5 | H4 | 60.0° | 60.0° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C7 | H7 | H8 | 119.8° | 120.0° |
| C7 | C6 | C3 | H23 | 60.0° | 180.0° |
| C7 | C6 | C3 | H24 | 179.9° | 60.1° |
| C2 | C1 | C | H21 | 120.0° | 120.1° |
| C2 | C1 | C | H22 | 120.0° | 120.0° |
| C2 | C1 | C | C8 | 60.4° | 60.0° |
| C2 | C1 | C | C5 | 60.4° | 60.0° |
| C2 | C1 | C | O | 178.6° | 180.0° |
| C1 | C2 | C4 | H2 | 60.5° | 180.0° |
| C1 | C2 | C4 | H3 | 179.6° | 60.0° |
| C2 | C1 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | C3 | H23 | 179.5° | 60.0° |
| C1 | C2 | C3 | H24 | 60.5° | 180.0° |
| C29 | C30 | CL | C27 | 179.3° | 180.0° |
| C29 | C30 | C27 | C26 | 1.9° | 0.2° |
| C29 | C30 | C27 | H29 | 178.1° | 179.9° |
| C9 | C8 | C | C1 | 60.5° | 60.0° |
| C9 | C8 | C | H9 | 120.0° | 120.0° |
| C9 | C8 | C | H10 | 120.0° | 120.0° |
| C9 | C8 | C | C5 | 60.3° | 60.0° |
| C9 | C8 | C | O | 176.9° | 180.0° |
| C8 | C9 | C4 | H2 | 60.6° | 180.0° |
| C8 | C9 | C4 | H3 | 179.4° | 59.9° |
| C8 | C9 | C7 | H7 | 60.4° | 180.0° |
| C8 | C9 | C7 | H8 | 179.7° | 60.0° |
| C9 | C8 | H9 | H10 | 119.9° | 120.0° |
| C8 | C9 | N | H19 | 98.4° | 0.0° |
| C24 | C25 | C26 | C27 | 178.3° | 179.8° |
| C25 | C24 | H16 | H17 | 118.5° | 119.4° |
| C24 | C25 | C26 | H18 | 1.7° | 0.1° |
| C6 | C5 | C | C1 | 60.5° | 60.0° |
| C6 | C5 | C | C8 | 60.1° | 60.0° |
| C6 | C5 | C | H4 | 120.0° | 120.0° |
| C6 | C5 | C | H5 | 120.0° | 120.0° |
| C6 | C5 | C | O | 178.3° | 180.0° |
| C6 | C5 | H4 | H5 | 120.2° | 119.9° |
| C5 | C6 | C7 | H7 | 60.1° | 180.0° |
| C5 | C6 | C7 | H8 | 179.9° | 60.0° |
| C5 | C6 | C3 | H23 | 179.9° | 60.0° |
| C5 | C6 | C3 | H24 | 60.2° | 180.0° |
| C25 | C26 | C27 | C30 | 1.3° | 0.1° |
| C25 | C26 | C27 | H18 | 180.0° | 179.9° |
| C26 | C25 | C24 | H16 | 44.9° | 42.3° |
| C26 | C25 | C24 | H17 | 74.1° | 77.1° |
| C25 | C26 | C27 | H29 | 178.7° | 180.0° |
| CL | C30 | C27 | C26 | 178.8° | 179.8° |
| CL | C30 | C29 | H28 | 0.5° | 0.1° |
| CL | C30 | C27 | H29 | 1.2° | 0.1° |
| C30 | C27 | C26 | H29 | 180.0° | 179.9° |
| C30 | C27 | C26 | H18 | 178.8° | 179.9° |
| C27 | C30 | C29 | H28 | 179.8° | 179.9° |
| C1 | C | C8 | C5 | 120.8° | 120.0° |
| C1 | C | C8 | O | 122.6° | 120.0° |
| C1 | C | C5 | O | 121.2° | 120.0° |
| C1 | C | C5 | H4 | 179.5° | 180.0° |
| C1 | C | C5 | H5 | 59.5° | 60.0° |
| C1 | C | C8 | H9 | 59.5° | 60.0° |
| C1 | C | C8 | H10 | 179.5° | 180.0° |
| C | C1 | C2 | H20 | 179.7° | 180.0° |
| C | C1 | H21 | H22 | 120.0° | 120.0° |
| C1 | C | O | H25 | 180.0° | 60.0° |
| C8 | C | C5 | O | 118.1° | 120.0° |
| C8 | C | C5 | H4 | 59.9° | 60.0° |
| C8 | C | C5 | H5 | 179.9° | 179.9° |
| C | C8 | H9 | H10 | 119.9° | 120.0° |
| C8 | C | C1 | H21 | 179.6° | 179.9° |
| C8 | C | C1 | H22 | 59.6° | 60.0° |
| C8 | C | O | H25 | 58.7° | 180.0° |
| C | C5 | H4 | H5 | 120.1° | 120.1° |
| C | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C | C8 | H9 | 179.7° | 180.0° |
| C5 | C | C8 | H10 | 59.7° | 60.0° |
| C5 | C | C1 | H21 | 59.6° | 60.0° |
| C5 | C | C1 | H22 | 179.6° | 180.0° |
| C5 | C | O | H25 | 59.9° | 60.0° |
| O | C | C5 | H4 | 58.3° | 60.0° |
| O | C | C5 | H5 | 61.8° | 60.0° |
| O | C | C8 | H9 | 63.1° | 60.0° |
| O | C | C8 | H10 | 56.9° | 60.0° |
| O | C | C1 | H21 | 58.6° | 59.9° |
| O | C | C1 | H22 | 61.4° | 60.0° |
| H2 | C4 | C2 | H20 | 59.8° | 60.0° |
| H3 | C4 | C2 | H20 | 60.2° | 60.1° |
| H4 | C5 | C6 | H6 | 60.0° | 60.0° |
| H5 | C5 | C6 | H6 | 60.1° | 60.0° |
| H6 | C6 | C7 | H7 | 60.0° | 60.0° |
| H6 | C6 | C7 | H8 | 59.9° | 60.0° |
| H6 | C6 | C3 | H23 | 60.1° | 60.0° |
| H6 | C6 | C3 | H24 | 59.8° | 59.9° |
| H11 | C13 | C12 | H30 | 64.5° | 50.8° |
| H11 | C13 | C12 | H31 | 55.7° | 69.8° |
| H13 | C20 | C21 | H14 | 0.3° | 0.0° |
| H13 | C20 | C19 | H33 | 0.4° | 0.1° |
| H14 | C21 | C22 | H15 | 0.3° | 0.0° |
| H18 | C26 | C27 | H29 | 1.3° | 0.0° |
| H20 | C2 | C1 | H21 | 59.7° | 59.9° |
| H20 | C2 | C1 | H22 | 60.3° | 60.0° |
| H20 | C2 | C3 | H23 | 60.3° | 60.0° |
| H20 | C2 | C3 | H24 | 59.7° | 59.9° |
