9IY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S | sing | 1.76Å | 1.76Å | |
| O2 | S | doub | 1.42Å | 1.44Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| S | C4 | sing | 1.76Å | 1.77Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.42Å | |
| N | C | sing | 1.35Å | 1.38Å | |
| O | C | doub | 1.22Å | 1.23Å | |
| C | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C13 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | O3 | sing | 1.44Å | 1.44Å | |
| C18 | C22 | sing | 1.55Å | 1.54Å | |
| O3 | C19 | sing | 1.44Å | 1.44Å | |
| C22 | O9 | sing | 1.43Å | 1.42Å | |
| C22 | C21 | sing | 1.55Å | 1.53Å | |
| C21 | C19 | sing | 1.55Å | 1.52Å | |
| C21 | O8 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C20 | O4 | sing | 1.43Å | 1.45Å | |
| O4 | P | sing | 1.61Å | 1.62Å | |
| P | O6 | doub | 1.48Å | 1.53Å | |
| P | O7 | sing | 1.61Å | 1.49Å | |
| P | O5 | sing | 1.61Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| O7 | H10 | sing | 0.97Å | 0.95Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| O8 | H16 | sing | 0.97Å | 0.95Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| O9 | H18 | sing | 0.97Å | 0.95Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| N | H24 | sing | 0.97Å | 1.00Å | |
| C11 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.08Å | 1.08Å | |
| C8 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.1° | 120.1° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C8 | C9 | H5 | 119.8° | 120.1° |
| C9 | C8 | H27 | 120.0° | 119.9° |
| C8 | C7 | C6 | 120.5° | 120.0° |
| C8 | C7 | H4 | 119.8° | 120.0° |
| C7 | C8 | H27 | 120.0° | 120.0° |
| C9 | C10 | C5 | 119.1° | 120.0° |
| C10 | C9 | H5 | 119.8° | 120.0° |
| C9 | C10 | H6 | 120.5° | 120.0° |
| C7 | C6 | C5 | 119.1° | 120.0° |
| C7 | C6 | H3 | 120.5° | 120.0° |
| C6 | C7 | H4 | 119.7° | 120.0° |
| C10 | C5 | C6 | 120.9° | 120.0° |
| C10 | C5 | S | 119.7° | 120.0° |
| C5 | C10 | H6 | 120.5° | 120.0° |
| C6 | C5 | S | 119.5° | 120.0° |
| C5 | C6 | H3 | 120.4° | 120.0° |
| C5 | S | O2 | 108.0° | 106.4° |
| C5 | S | O1 | 108.1° | 106.4° |
| C5 | S | C4 | 105.3° | 107.2° |
| O2 | S | O1 | 118.6° | 123.1° |
| O2 | S | C4 | 108.0° | 106.4° |
| O1 | S | C4 | 108.1° | 106.5° |
| S | C4 | C3 | 119.4° | 120.0° |
| S | C4 | C11 | 119.9° | 119.9° |
| C3 | C4 | C11 | 120.6° | 120.1° |
| C4 | C3 | C2 | 119.6° | 120.1° |
| C4 | C3 | H26 | 120.2° | 120.0° |
| C4 | C11 | C12 | 119.5° | 120.1° |
| C4 | C11 | H25 | 120.3° | 120.0° |
| C3 | C2 | C1 | 120.6° | 119.9° |
| C3 | C2 | H2 | 119.7° | 120.1° |
| C2 | C3 | H26 | 120.2° | 119.9° |
| C11 | C12 | C1 | 120.4° | 119.9° |
| C11 | C12 | H7 | 119.8° | 120.0° |
| C12 | C11 | H25 | 120.2° | 120.0° |
| C2 | C1 | C12 | 119.2° | 119.9° |
| C2 | C1 | N | 121.3° | 120.1° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| C12 | C1 | N | 119.5° | 120.1° |
| C1 | C12 | H7 | 119.8° | 120.1° |
| C1 | N | C | 128.2° | 120.0° |
| C1 | N | H24 | 115.9° | 120.0° |
| N | C | O | 123.6° | 120.0° |
| N | C | N1 | 113.9° | 120.0° |
| C | N | H24 | 115.9° | 120.0° |
| O | C | N1 | 122.3° | 120.0° |
| C | N1 | C13 | 122.3° | 120.0° |
| C | N1 | H1 | 118.9° | 120.0° |
| N1 | C13 | C14 | 115.1° | 109.5° |
| C13 | N1 | H1 | 118.8° | 120.0° |
| N1 | C13 | H8 | 108.0° | 109.5° |
| N1 | C13 | H9 | 108.1° | 109.5° |
| C13 | C14 | C15 | 121.1° | 120.0° |
| C13 | C14 | C24 | 120.8° | 120.0° |
| C14 | C13 | H8 | 108.1° | 109.5° |
| C14 | C13 | H9 | 108.1° | 109.4° |
| C15 | C14 | C24 | 118.0° | 120.0° |
| C14 | C15 | C16 | 121.0° | 120.0° |
| C14 | C15 | H21 | 119.5° | 120.0° |
| C14 | C24 | C23 | 121.0° | 120.0° |
| C14 | C24 | H23 | 119.5° | 120.0° |
| C15 | C16 | C17 | 121.1° | 120.0° |
| C15 | C16 | H20 | 119.4° | 120.0° |
| C16 | C15 | H21 | 119.5° | 120.0° |
| C24 | C23 | C17 | 121.0° | 120.0° |
| C24 | C23 | H22 | 119.5° | 120.0° |
| C23 | C24 | H23 | 119.5° | 120.0° |
| C16 | C17 | C23 | 117.9° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C17 | C16 | H20 | 119.5° | 120.0° |
| C23 | C17 | C18 | 122.0° | 120.0° |
| C17 | C23 | H22 | 119.5° | 120.0° |
| C17 | C18 | O3 | 111.0° | 109.9° |
| C17 | C18 | C22 | 116.1° | 109.9° |
| C17 | C18 | H19 | 107.8° | 110.0° |
| O3 | C18 | C22 | 105.4° | 107.2° |
| C18 | O3 | C19 | 110.4° | 107.0° |
| O3 | C18 | H19 | 108.8° | 109.9° |
| C18 | C22 | O9 | 110.7° | 110.4° |
| C18 | C22 | C21 | 102.0° | 104.2° |
| C18 | C22 | H17 | 110.3° | 110.6° |
| C22 | C18 | H19 | 107.6° | 109.8° |
| O3 | C19 | C21 | 105.3° | 103.6° |
| O3 | C19 | C20 | 109.1° | 110.6° |
| O3 | C19 | H14 | 109.5° | 110.7° |
| O9 | C22 | C21 | 111.1° | 110.5° |
| O9 | C22 | H17 | 112.0° | 110.4° |
| C22 | O9 | H18 | 109.5° | 114.0° |
| C22 | C21 | C19 | 101.9° | 102.1° |
| C22 | C21 | O8 | 111.4° | 110.9° |
| C22 | C21 | H15 | 110.1° | 111.0° |
| C21 | C22 | H17 | 110.4° | 110.5° |
| C19 | C21 | O8 | 111.2° | 110.9° |
| C21 | C19 | C20 | 115.7° | 110.6° |
| C21 | C19 | H14 | 108.4° | 110.6° |
| C19 | C21 | H15 | 110.2° | 110.9° |
| O8 | C21 | H15 | 111.7° | 110.8° |
| C21 | O8 | H16 | 109.5° | 114.0° |
| C19 | C20 | O4 | 108.4° | 109.5° |
| C19 | C20 | H12 | 109.7° | 109.5° |
| C19 | C20 | H13 | 109.7° | 109.5° |
| C20 | C19 | H14 | 108.7° | 110.5° |
| C20 | O4 | P | 118.7° | 123.0° |
| O4 | C20 | H12 | 109.8° | 109.5° |
| O4 | C20 | H13 | 109.8° | 109.5° |
| O4 | P | O6 | 108.6° | 109.5° |
| O4 | P | O7 | 107.4° | 109.5° |
| O4 | P | O5 | 104.5° | 109.5° |
| O6 | P | O7 | 115.1° | 109.5° |
| O6 | P | O5 | 106.3° | 109.4° |
| O7 | P | O5 | 114.3° | 109.5° |
| P | O7 | H10 | 109.5° | 114.0° |
| P | O5 | H11 | 109.5° | 114.0° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H12 | C20 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H27 | 180.0° | 179.0° |
| C8 | C9 | C10 | H5 | 180.0° | 179.3° |
| C9 | C8 | C7 | C6 | 0.6° | 0.6° |
| C8 | C9 | C10 | C5 | 0.5° | 0.7° |
| C9 | C8 | C7 | H4 | 179.4° | 179.4° |
| C8 | C9 | C10 | H6 | 179.5° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 1.0° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.7° | 0.0° |
| C8 | C7 | C6 | H3 | 179.3° | 180.0° |
| C7 | C8 | C9 | H5 | 180.0° | 179.7° |
| C9 | C10 | C5 | H6 | 180.0° | 179.3° |
| C9 | C10 | C5 | C6 | 0.4° | 0.0° |
| C9 | C10 | C5 | S | 179.8° | 179.7° |
| C10 | C9 | C8 | H27 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.2° | 0.3° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | S | 179.6° | 180.0° |
| C6 | C7 | C8 | H27 | 179.4° | 179.7° |
| C10 | C5 | C6 | S | 179.8° | 179.7° |
| C10 | C5 | S | O2 | 7.0° | 23.3° |
| C10 | C5 | S | O1 | 136.5° | 156.2° |
| C10 | C5 | S | C4 | 108.2° | 90.2° |
| C10 | C5 | C6 | H3 | 179.8° | 179.7° |
| C5 | C10 | C9 | H5 | 179.5° | 180.0° |
| C6 | C5 | S | O2 | 172.8° | 156.5° |
| C6 | C5 | S | O1 | 43.3° | 23.6° |
| C6 | C5 | S | C4 | 72.0° | 90.0° |
| C5 | C6 | C7 | H4 | 179.2° | 180.0° |
| C6 | C5 | C10 | H6 | 179.6° | 179.3° |
| C5 | S | O2 | O1 | 123.3° | 122.9° |
| C5 | S | O2 | C4 | 113.4° | 114.1° |
| C5 | S | O1 | C4 | 113.5° | 114.1° |
| C5 | S | C4 | C3 | 106.2° | 90.0° |
| C5 | S | C4 | C11 | 75.6° | 90.0° |
| S | C5 | C6 | H3 | 0.4° | 0.0° |
| S | C5 | C10 | H6 | 0.2° | 0.4° |
| O2 | S | O1 | C4 | 123.2° | 122.9° |
| O2 | S | C4 | C3 | 9.1° | 23.5° |
| O2 | S | C4 | C11 | 169.1° | 156.4° |
| O1 | S | C4 | C3 | 138.5° | 156.4° |
| O1 | S | C4 | C11 | 39.7° | 23.5° |
| S | C4 | C3 | C11 | 178.2° | 179.9° |
| S | C4 | C3 | C2 | 176.3° | 180.0° |
| S | C4 | C11 | C12 | 177.3° | 179.7° |
| S | C4 | C11 | H25 | 2.7° | 0.0° |
| S | C4 | C3 | H26 | 3.7° | 0.0° |
| C4 | C3 | C2 | H26 | 180.0° | 180.0° |
| C3 | C4 | C11 | C12 | 0.9° | 0.4° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C4 | C3 | C2 | H2 | 179.4° | 179.7° |
| C3 | C4 | C11 | H25 | 179.1° | 180.0° |
| C11 | C4 | C3 | C2 | 1.9° | 0.1° |
| C4 | C11 | C12 | H25 | 180.0° | 179.7° |
| C4 | C11 | C12 | C1 | 1.3° | 0.6° |
| C4 | C11 | C12 | H7 | 178.6° | 180.0° |
| C11 | C4 | C3 | H26 | 178.1° | 180.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C3 | C2 | C1 | C12 | 1.6° | 0.3° |
| C3 | C2 | C1 | N | 177.4° | 179.8° |
| C11 | C12 | C1 | C2 | 2.6° | 0.6° |
| C11 | C12 | C1 | H7 | 180.0° | 179.4° |
| C11 | C12 | C1 | N | 176.5° | 179.5° |
| C2 | C1 | C12 | N | 179.1° | 179.9° |
| C2 | C1 | N | C | 2.7° | 144.9° |
| C2 | C1 | C12 | H7 | 177.4° | 180.0° |
| C2 | C1 | N | H24 | 177.3° | 35.1° |
| C1 | C2 | C3 | H26 | 179.4° | 180.0° |
| C12 | C1 | N | C | 176.4° | 35.0° |
| C12 | C1 | C2 | H2 | 178.4° | 180.0° |
| C12 | C1 | N | H24 | 3.6° | 144.9° |
| C1 | C12 | C11 | H25 | 178.7° | 179.7° |
| C1 | N | C | H24 | 180.0° | 180.0° |
| C1 | N | C | O | 0.8° | 4.6° |
| C1 | N | C | N1 | 176.8° | 175.4° |
| N | C1 | C2 | H2 | 2.6° | 0.1° |
| N | C1 | C12 | H7 | 3.5° | 0.1° |
| N | C | O | N1 | 175.7° | 180.0° |
| N | C | N1 | C13 | 172.7° | 180.0° |
| N | C | N1 | H1 | 7.2° | 0.2° |
| O | C | N1 | C13 | 3.3° | 0.0° |
| O | C | N1 | H1 | 176.7° | 179.7° |
| O | C | N | H24 | 179.2° | 175.4° |
| C | N1 | C13 | H1 | 180.0° | 179.8° |
| C | N1 | C13 | C14 | 91.6° | 179.8° |
| C | N1 | C13 | H8 | 147.6° | 59.7° |
| C | N1 | C13 | H9 | 29.3° | 60.3° |
| N1 | C | N | H24 | 3.2° | 4.6° |
| N1 | C13 | C14 | H8 | 120.8° | 120.1° |
| N1 | C13 | C14 | H9 | 120.8° | 120.0° |
| N1 | C13 | C14 | C15 | 40.0° | 90.0° |
| N1 | C13 | C14 | C24 | 142.9° | 89.7° |
| N1 | C13 | H8 | H9 | 117.4° | 120.0° |
| C13 | C14 | C15 | C24 | 177.1° | 179.7° |
| C13 | C14 | C15 | C16 | 176.2° | 180.0° |
| C13 | C14 | C24 | C23 | 176.1° | 180.0° |
| C14 | C13 | N1 | H1 | 88.4° | 0.0° |
| C14 | C13 | H8 | H9 | 117.5° | 119.9° |
| C13 | C14 | C15 | H21 | 3.7° | 0.0° |
| C13 | C14 | C24 | H23 | 3.9° | 0.0° |
| C14 | C15 | C16 | H21 | 180.0° | 179.9° |
| C15 | C14 | C24 | C23 | 1.0° | 0.3° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | C14 | C13 | H8 | 160.8° | 30.1° |
| C15 | C14 | C13 | H9 | 80.8° | 150.0° |
| C14 | C15 | C16 | H20 | 179.8° | 180.0° |
| C15 | C14 | C24 | H23 | 179.0° | 179.7° |
| C24 | C14 | C15 | C16 | 0.9° | 0.3° |
| C14 | C24 | C23 | H23 | 180.0° | 180.0° |
| C14 | C24 | C23 | C17 | 0.2° | 0.1° |
| C24 | C14 | C13 | H8 | 22.1° | 150.2° |
| C24 | C14 | C13 | H9 | 96.2° | 30.3° |
| C24 | C14 | C15 | H21 | 179.1° | 179.7° |
| C14 | C24 | C23 | H22 | 179.9° | 180.0° |
| C15 | C16 | C17 | H20 | 180.0° | 180.0° |
| C15 | C16 | C17 | C23 | 1.1° | 0.4° |
| C15 | C16 | C17 | C18 | 176.5° | 180.0° |
| C24 | C23 | C17 | C16 | 0.9° | 0.4° |
| C24 | C23 | C17 | H22 | 180.0° | 179.9° |
| C24 | C23 | C17 | C18 | 176.6° | 180.0° |
| C16 | C17 | C23 | C18 | 177.5° | 179.6° |
| C16 | C17 | C18 | O3 | 162.3° | 141.4° |
| C16 | C17 | C18 | C22 | 77.5° | 100.7° |
| C16 | C17 | C18 | H19 | 43.3° | 20.3° |
| C17 | C16 | C15 | H21 | 179.8° | 179.9° |
| C16 | C17 | C23 | H22 | 179.1° | 179.7° |
| C23 | C17 | C18 | O3 | 15.1° | 38.2° |
| C23 | C17 | C18 | C22 | 105.1° | 79.6° |
| C23 | C17 | C18 | H19 | 134.2° | 159.3° |
| C23 | C17 | C16 | H20 | 178.9° | 179.6° |
| C17 | C23 | C24 | H23 | 179.9° | 179.9° |
| C17 | C18 | O3 | C22 | 126.4° | 119.5° |
| C17 | C18 | O3 | H19 | 118.5° | 121.2° |
| C17 | C18 | C22 | H19 | 120.9° | 121.2° |
| C17 | C18 | O3 | C19 | 116.6° | 145.9° |
| C17 | C18 | C22 | O9 | 148.7° | 119.8° |
| C17 | C18 | C22 | C21 | 93.1° | 121.5° |
| C17 | C18 | C22 | H17 | 24.2° | 2.7° |
| C18 | C17 | C16 | H20 | 3.5° | 0.0° |
| C18 | C17 | C23 | H22 | 3.4° | 0.1° |
| O3 | C18 | C22 | H19 | 115.9° | 119.3° |
| O3 | C18 | C22 | O9 | 88.1° | 120.7° |
| O3 | C18 | C22 | C21 | 30.1° | 2.0° |
| C18 | O3 | C19 | C21 | 14.8° | 40.0° |
| C18 | O3 | C19 | C20 | 139.6° | 158.6° |
| C18 | O3 | C19 | H14 | 101.6° | 78.6° |
| O3 | C18 | C22 | H17 | 147.4° | 116.7° |
| C22 | C18 | O3 | C19 | 9.8° | 26.4° |
| C18 | C22 | O9 | C21 | 112.6° | 114.7° |
| C18 | C22 | O9 | H17 | 123.5° | 122.7° |
| C18 | C22 | C21 | H17 | 117.2° | 118.8° |
| C18 | C22 | C21 | C19 | 38.1° | 20.8° |
| C18 | C22 | C21 | O8 | 156.7° | 139.0° |
| C18 | C22 | C21 | H15 | 78.8° | 97.4° |
| C18 | C22 | O9 | H18 | 180.0° | 176.2° |
| O3 | C19 | C21 | C22 | 33.2° | 37.0° |
| O3 | C19 | C21 | C20 | 120.6° | 118.6° |
| O3 | C19 | C21 | H14 | 117.1° | 118.6° |
| O3 | C19 | C21 | O8 | 152.0° | 155.2° |
| O3 | C19 | C20 | H14 | 119.3° | 122.9° |
| O3 | C19 | C20 | O4 | 75.7° | 68.6° |
| O3 | C19 | C20 | H12 | 164.4° | 51.4° |
| O3 | C19 | C20 | H13 | 44.1° | 171.4° |
| O3 | C19 | C21 | H15 | 83.7° | 81.3° |
| C19 | O3 | C18 | H19 | 124.9° | 92.8° |
| O9 | C22 | C21 | H17 | 124.8° | 122.6° |
| O9 | C22 | C21 | C19 | 79.9° | 97.8° |
| O9 | C22 | C21 | O8 | 38.7° | 20.4° |
| O9 | C22 | C21 | H15 | 163.2° | 144.0° |
| O9 | C22 | C18 | H19 | 27.8° | 1.3° |
| C22 | C21 | C19 | O8 | 118.8° | 118.2° |
| C22 | C21 | C19 | H15 | 116.9° | 118.3° |
| C22 | C21 | O8 | H15 | 123.6° | 123.7° |
| C22 | C21 | C19 | C20 | 153.7° | 155.5° |
| C22 | C21 | C19 | H14 | 83.9° | 81.7° |
| C22 | C21 | O8 | H16 | 180.0° | 67.2° |
| C21 | C22 | O9 | H18 | 67.4° | 61.5° |
| C21 | C22 | C18 | H19 | 146.1° | 117.3° |
| C19 | C21 | O8 | H15 | 123.5° | 123.6° |
| C21 | C19 | C20 | H14 | 122.2° | 122.8° |
| C21 | C19 | C20 | O4 | 165.8° | 177.2° |
| C21 | C19 | C20 | H12 | 45.9° | 62.8° |
| C21 | C19 | C20 | H13 | 74.3° | 57.2° |
| C19 | C21 | O8 | H16 | 67.1° | 179.9° |
| C19 | C21 | C22 | H17 | 155.3° | 139.6° |
| O8 | C21 | C19 | C20 | 87.5° | 86.2° |
| O8 | C21 | C19 | H14 | 34.9° | 36.6° |
| O8 | C21 | C22 | H17 | 86.1° | 102.1° |
| C19 | C20 | O4 | H12 | 119.8° | 120.0° |
| C19 | C20 | O4 | H13 | 119.8° | 120.0° |
| C19 | C20 | O4 | P | 117.5° | 180.0° |
| C19 | C20 | H12 | H13 | 120.5° | 120.0° |
| C20 | C19 | C21 | H15 | 36.9° | 37.3° |
| C20 | O4 | P | O6 | 175.8° | 55.0° |
| C20 | O4 | P | O7 | 50.7° | 65.0° |
| C20 | O4 | P | O5 | 71.1° | 175.0° |
| O4 | C20 | H12 | H13 | 120.5° | 120.0° |
| O4 | C20 | C19 | H14 | 43.6° | 54.3° |
| O4 | P | O6 | O7 | 120.4° | 120.0° |
| O4 | P | O6 | O5 | 111.9° | 120.0° |
| O4 | P | O7 | O5 | 115.4° | 120.0° |
| O4 | P | O7 | H10 | 121.1° | 60.0° |
| O4 | P | O5 | H11 | 114.8° | 180.0° |
| P | O4 | C20 | H12 | 2.3° | 60.0° |
| P | O4 | C20 | H13 | 122.6° | 60.0° |
| O6 | P | O7 | O5 | 123.5° | 120.0° |
| O6 | P | O7 | H10 | 0.0° | 180.0° |
| O6 | P | O5 | H11 | 0.0° | 60.0° |
| O7 | P | O5 | H11 | 128.1° | 60.0° |
| O5 | P | O7 | H10 | 123.5° | 60.0° |
| H1 | N1 | C13 | H8 | 32.4° | 120.0° |
| H1 | N1 | C13 | H9 | 150.7° | 120.0° |
| H2 | C2 | C3 | H26 | 0.6° | 0.3° |
| H3 | C6 | C7 | H4 | 0.8° | 0.0° |
| H4 | C7 | C8 | H27 | 0.7° | 0.3° |
| H5 | C9 | C10 | H6 | 0.6° | 0.7° |
| H5 | C9 | C8 | H27 | 0.0° | 0.7° |
| H7 | C12 | C11 | H25 | 1.4° | 0.3° |
| H12 | C20 | C19 | H14 | 76.3° | 174.3° |
| H13 | C20 | C19 | H14 | 163.4° | 65.7° |
| H14 | C19 | C21 | H15 | 159.2° | 160.1° |
| H15 | C21 | O8 | H16 | 56.4° | 56.5° |
| H15 | C21 | C22 | H17 | 38.4° | 21.4° |
| H17 | C22 | O9 | H18 | 56.5° | 61.2° |
| H17 | C22 | C18 | H19 | 96.7° | 123.9° |
| H20 | C16 | C15 | H21 | 0.2° | 0.1° |
| H22 | C23 | C24 | H23 | 0.1° | 0.0° |
