KDQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C10 | C9 | sing | 1.54Å | 1.53Å | |
| C11 | C12 | sing | 1.55Å | 1.51Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| C | C9 | sing | 1.51Å | 1.53Å | |
| C12 | N1 | sing | 1.47Å | 1.47Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C8 | O1 | sing | 1.43Å | 1.40Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| N1 | C13 | sing | 1.35Å | 1.34Å | |
| C2 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N2 | sing | 1.46Å | 1.45Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | CL | sing | 1.74Å | 1.74Å | |
| O4 | S | doub | 1.42Å | 1.43Å | |
| N2 | S | sing | 1.66Å | 1.64Å | |
| S | O3 | doub | 1.42Å | 1.43Å | |
| S | C15 | sing | 1.81Å | 1.79Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N | H23 | sing | 0.97Å | 1.00Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 103.8° | 103.0° |
| C10 | C11 | C12 | 104.4° | 101.6° |
| C11 | C10 | H6 | 110.9° | 110.7° |
| C11 | C10 | H7 | 110.9° | 110.7° |
| C10 | C11 | H8 | 110.7° | 111.1° |
| C10 | C11 | H9 | 110.7° | 111.0° |
| C10 | C9 | C | 111.6° | 110.0° |
| C10 | C9 | N1 | 102.9° | 107.3° |
| C10 | C9 | H5 | 110.1° | 109.9° |
| C9 | C10 | H6 | 110.9° | 110.7° |
| C9 | C10 | H7 | 110.9° | 110.7° |
| C11 | C12 | N1 | 103.4° | 104.8° |
| C12 | C11 | H8 | 110.7° | 111.0° |
| C12 | C11 | H9 | 110.7° | 111.0° |
| C11 | C12 | H14 | 110.9° | 110.4° |
| C11 | C12 | H15 | 111.0° | 110.4° |
| O | C | N | 123.3° | 120.0° |
| O | C | C9 | 120.8° | 120.0° |
| N | C1 | C2 | 113.3° | 109.5° |
| C1 | N | C | 122.5° | 120.0° |
| C1 | N | H23 | 118.7° | 120.0° |
| N | C1 | H24 | 108.5° | 109.4° |
| N | C1 | H25 | 108.5° | 109.5° |
| C1 | C2 | C7 | 120.1° | 120.0° |
| C1 | C2 | C3 | 120.5° | 120.0° |
| C2 | C1 | H24 | 108.5° | 109.5° |
| C2 | C1 | H25 | 108.5° | 109.5° |
| N | C | C9 | 115.8° | 120.0° |
| C | N | H23 | 118.8° | 120.0° |
| C | C9 | N1 | 110.9° | 109.9° |
| C | C9 | H5 | 110.2° | 109.9° |
| C12 | N1 | C9 | 112.7° | 108.7° |
| C12 | N1 | C13 | 125.6° | 125.6° |
| N1 | C12 | H14 | 111.0° | 110.4° |
| N1 | C12 | H15 | 111.0° | 110.4° |
| C9 | N1 | C13 | 121.8° | 125.6° |
| N1 | C9 | H5 | 111.0° | 109.8° |
| O1 | C8 | C7 | 111.7° | 109.5° |
| O1 | C8 | H10 | 108.9° | 109.5° |
| O1 | C8 | H11 | 108.9° | 109.5° |
| C8 | O1 | H26 | 109.5° | 114.0° |
| C8 | C7 | C2 | 121.2° | 120.0° |
| C8 | C7 | C6 | 119.8° | 120.0° |
| C7 | C8 | H10 | 108.9° | 109.4° |
| C7 | C8 | H11 | 108.9° | 109.4° |
| N1 | C13 | O2 | 122.7° | 120.0° |
| N1 | C13 | C14 | 115.1° | 120.0° |
| C7 | C2 | C3 | 119.3° | 120.0° |
| C2 | C7 | C6 | 118.9° | 120.0° |
| C2 | C3 | C4 | 120.1° | 119.9° |
| C2 | C3 | H1 | 120.0° | 120.0° |
| C7 | C6 | C5 | 121.4° | 120.0° |
| C7 | C6 | H3 | 119.3° | 120.0° |
| O2 | C13 | C14 | 122.2° | 120.0° |
| C13 | C14 | N2 | 108.4° | 109.5° |
| C13 | C14 | H21 | 109.8° | 109.5° |
| C13 | C14 | H22 | 109.7° | 109.5° |
| C3 | C4 | C5 | 121.5° | 120.0° |
| C3 | C4 | CL | 119.0° | 120.0° |
| C4 | C3 | H1 | 120.0° | 120.0° |
| C14 | N2 | S | 118.3° | 120.0° |
| C14 | N2 | H20 | 107.2° | 120.0° |
| N2 | C14 | H21 | 109.7° | 109.4° |
| N2 | C14 | H22 | 109.7° | 109.5° |
| C6 | C5 | C4 | 118.9° | 120.0° |
| C6 | C5 | H2 | 120.6° | 120.0° |
| C5 | C6 | H3 | 119.3° | 120.0° |
| C5 | C4 | CL | 119.5° | 120.0° |
| C4 | C5 | H2 | 120.6° | 120.0° |
| O4 | S | N2 | 106.8° | 104.3° |
| O4 | S | O3 | 119.1° | 121.0° |
| O4 | S | C15 | 108.1° | 110.5° |
| N2 | S | O3 | 106.3° | 104.3° |
| N2 | S | C15 | 107.5° | 104.5° |
| S | N2 | H20 | 107.2° | 120.0° |
| O3 | S | C15 | 108.5° | 110.6° |
| S | C15 | C16 | 113.6° | 109.5° |
| S | C15 | H12 | 108.4° | 109.5° |
| S | C15 | H13 | 108.4° | 109.5° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C20 | C19 | C18 | 119.7° | 120.0° |
| C19 | C20 | H16 | 119.9° | 120.0° |
| C20 | C19 | H17 | 120.1° | 120.0° |
| C20 | C21 | C16 | 120.6° | 120.0° |
| C20 | C21 | H4 | 119.7° | 120.0° |
| C21 | C20 | H16 | 119.9° | 120.0° |
| C19 | C18 | C17 | 120.2° | 120.1° |
| C18 | C19 | H17 | 120.2° | 120.1° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C21 | C16 | C17 | 118.6° | 120.1° |
| C21 | C16 | C15 | 120.7° | 120.0° |
| C16 | C21 | H4 | 119.7° | 120.0° |
| C18 | C17 | C16 | 120.7° | 119.9° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C18 | C17 | H19 | 119.7° | 120.0° |
| C17 | C16 | C15 | 120.6° | 120.0° |
| C16 | C17 | H19 | 119.6° | 120.0° |
| C16 | C15 | H12 | 108.4° | 109.5° |
| C16 | C15 | H13 | 108.4° | 109.4° |
| H6 | C10 | H7 | 109.5° | 110.7° |
| H8 | C11 | H9 | 109.5° | 110.9° |
| H10 | C8 | H11 | 109.4° | 109.4° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.4° | 110.4° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H24 | C1 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H6 | 119.1° | 118.4° |
| C11 | C10 | C9 | H7 | 119.1° | 118.4° |
| C10 | C11 | C12 | H8 | 119.2° | 118.1° |
| C10 | C11 | C12 | H9 | 119.2° | 118.1° |
| C11 | C10 | C9 | C | 147.8° | 141.6° |
| C10 | C11 | C12 | N1 | 29.0° | 37.0° |
| C11 | C10 | C9 | N1 | 28.9° | 22.2° |
| C11 | C10 | C9 | H5 | 89.6° | 97.2° |
| C11 | C10 | H6 | H7 | 122.6° | 123.2° |
| C10 | C11 | H8 | H9 | 122.4° | 123.9° |
| C10 | C11 | C12 | H14 | 90.0° | 81.9° |
| C10 | C11 | C12 | H15 | 148.0° | 155.8° |
| C9 | C10 | C11 | C12 | 36.4° | 35.5° |
| C10 | C9 | C | O | 70.4° | 117.9° |
| C10 | C9 | C | N | 107.9° | 62.2° |
| C10 | C9 | C | N1 | 114.1° | 117.9° |
| C10 | C9 | C | H5 | 122.5° | 121.2° |
| C10 | C9 | N1 | C12 | 11.3° | 1.1° |
| C10 | C9 | N1 | H5 | 117.7° | 119.4° |
| C10 | C9 | N1 | C13 | 169.5° | 179.0° |
| C9 | C10 | H6 | H7 | 122.7° | 123.2° |
| C9 | C10 | C11 | H8 | 155.6° | 153.6° |
| C9 | C10 | C11 | H9 | 82.8° | 82.6° |
| C11 | C12 | N1 | H14 | 119.0° | 118.8° |
| C11 | C12 | N1 | H15 | 119.0° | 118.8° |
| C11 | C12 | N1 | C9 | 11.0° | 24.1° |
| C11 | C12 | N1 | C13 | 168.1° | 155.9° |
| C12 | C11 | C10 | H6 | 155.5° | 82.9° |
| C12 | C11 | C10 | H7 | 82.7° | 153.9° |
| C12 | C11 | H8 | H9 | 122.3° | 123.9° |
| C11 | C12 | H14 | H15 | 122.8° | 122.3° |
| O | C | N | C1 | 2.7° | 0.1° |
| O | C | N | C9 | 178.3° | 180.0° |
| O | C | C9 | N1 | 43.7° | 0.0° |
| O | C | C9 | H5 | 167.0° | 121.0° |
| O | C | N | H23 | 177.3° | 179.9° |
| N | C1 | C2 | H24 | 120.6° | 120.0° |
| N | C1 | C2 | H25 | 120.5° | 120.0° |
| C1 | N | C | H23 | 180.0° | 179.9° |
| C1 | N | C | C9 | 175.6° | 180.0° |
| N | C1 | C2 | C7 | 107.4° | 80.0° |
| N | C1 | C2 | C3 | 75.2° | 99.9° |
| N | C1 | H24 | H25 | 118.2° | 120.0° |
| C2 | C1 | N | C | 111.2° | 180.0° |
| C1 | C2 | C7 | C8 | 1.1° | 0.0° |
| C1 | C2 | C7 | C3 | 177.5° | 180.0° |
| C1 | C2 | C7 | C6 | 177.4° | 180.0° |
| C1 | C2 | C3 | C4 | 177.0° | 180.0° |
| C1 | C2 | C3 | H1 | 3.0° | 0.3° |
| C2 | C1 | N | H23 | 68.8° | 0.1° |
| C2 | C1 | H24 | H25 | 118.3° | 120.0° |
| N | C | C9 | N1 | 138.0° | 180.0° |
| N | C | C9 | H5 | 14.7° | 59.0° |
| C | N | C1 | H24 | 128.3° | 60.0° |
| C | N | C1 | H25 | 9.4° | 60.0° |
| C | C9 | N1 | C12 | 130.7° | 118.5° |
| C | C9 | N1 | H5 | 122.8° | 121.0° |
| C | C9 | N1 | C13 | 50.1° | 61.5° |
| C | C9 | C10 | H6 | 93.1° | 23.3° |
| C | C9 | C10 | H7 | 28.7° | 100.0° |
| C9 | C | N | H23 | 4.4° | 0.1° |
| C12 | N1 | C9 | C13 | 179.2° | 179.9° |
| C12 | N1 | C13 | O2 | 177.6° | 179.9° |
| C12 | N1 | C13 | C14 | 1.6° | 0.1° |
| C12 | N1 | C9 | H5 | 106.4° | 120.5° |
| N1 | C12 | C11 | H8 | 148.2° | 155.1° |
| N1 | C12 | C11 | H9 | 90.2° | 81.1° |
| N1 | C12 | H14 | H15 | 122.9° | 122.3° |
| C9 | N1 | C13 | O2 | 3.3° | 0.0° |
| C9 | N1 | C13 | C14 | 177.5° | 180.0° |
| N1 | C9 | C10 | H6 | 148.0° | 96.2° |
| N1 | C9 | C10 | H7 | 90.2° | 140.6° |
| C9 | N1 | C12 | H14 | 108.0° | 94.7° |
| C9 | N1 | C12 | H15 | 130.1° | 143.0° |
| O1 | C8 | C7 | H10 | 120.4° | 120.0° |
| O1 | C8 | C7 | H11 | 120.4° | 120.1° |
| O1 | C8 | C7 | C2 | 96.8° | 180.0° |
| O1 | C8 | C7 | C6 | 84.8° | 0.0° |
| O1 | C8 | H10 | H11 | 119.0° | 120.1° |
| C8 | C7 | C2 | C6 | 178.4° | 180.0° |
| C8 | C7 | C2 | C3 | 178.6° | 180.0° |
| C8 | C7 | C6 | C5 | 177.9° | 179.8° |
| C8 | C7 | C6 | H3 | 2.1° | 0.3° |
| C7 | C8 | H10 | H11 | 118.9° | 119.9° |
| C7 | C8 | O1 | H26 | 180.0° | 180.0° |
| N1 | C13 | O2 | C14 | 179.1° | 180.0° |
| N1 | C13 | C14 | N2 | 171.2° | 180.0° |
| C13 | N1 | C9 | H5 | 72.8° | 59.5° |
| C13 | N1 | C12 | H14 | 72.9° | 85.3° |
| C13 | N1 | C12 | H15 | 49.1° | 37.1° |
| N1 | C13 | C14 | H21 | 51.3° | 60.0° |
| N1 | C13 | C14 | H22 | 69.0° | 60.0° |
| C7 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C7 | C6 | C5 | 0.5° | 0.2° |
| C7 | C2 | C3 | H1 | 179.5° | 179.7° |
| C2 | C7 | C6 | H3 | 179.5° | 179.7° |
| C2 | C7 | C8 | H10 | 23.5° | 60.0° |
| C2 | C7 | C8 | H11 | 142.8° | 59.9° |
| C7 | C2 | C1 | H24 | 132.1° | 160.0° |
| C7 | C2 | C1 | H25 | 13.2° | 40.0° |
| C3 | C2 | C7 | C6 | 0.2° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C2 | C3 | C4 | CL | 179.4° | 179.7° |
| C3 | C2 | C1 | H24 | 45.4° | 20.0° |
| C3 | C2 | C1 | H25 | 164.3° | 140.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.9° | 0.4° |
| C7 | C6 | C5 | H2 | 179.1° | 180.0° |
| C6 | C7 | C8 | H10 | 154.9° | 120.0° |
| C6 | C7 | C8 | H11 | 35.6° | 120.1° |
| O2 | C13 | C14 | N2 | 8.0° | 0.0° |
| O2 | C13 | C14 | H21 | 127.9° | 120.0° |
| O2 | C13 | C14 | H22 | 111.8° | 120.0° |
| C13 | C14 | N2 | H21 | 119.9° | 120.0° |
| C13 | C14 | N2 | H22 | 119.8° | 120.1° |
| C13 | C14 | N2 | S | 174.4° | 165.0° |
| C13 | C14 | N2 | H20 | 53.2° | 15.0° |
| C13 | C14 | H21 | H22 | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.4° |
| C3 | C4 | C5 | CL | 179.3° | 179.9° |
| C3 | C4 | C5 | H2 | 179.5° | 180.0° |
| C14 | N2 | S | O4 | 30.4° | 51.1° |
| C14 | N2 | S | H20 | 121.2° | 180.0° |
| C14 | N2 | S | O3 | 158.6° | 178.9° |
| C14 | N2 | S | C15 | 85.4° | 65.0° |
| N2 | C14 | H21 | H22 | 120.5° | 120.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.6° |
| C6 | C5 | C4 | CL | 178.8° | 179.5° |
| C5 | C4 | C3 | H1 | 179.9° | 179.9° |
| C4 | C5 | C6 | H3 | 179.1° | 179.5° |
| CL | C4 | C3 | H1 | 0.6° | 0.0° |
| CL | C4 | C5 | H2 | 1.2° | 0.1° |
| O4 | S | N2 | O3 | 128.2° | 127.8° |
| O4 | S | N2 | C15 | 115.8° | 116.1° |
| O4 | S | O3 | C15 | 124.2° | 131.5° |
| O4 | S | C15 | C16 | 59.7° | 68.3° |
| O4 | S | C15 | H12 | 179.7° | 171.7° |
| O4 | S | C15 | H13 | 60.9° | 51.7° |
| O4 | S | N2 | H20 | 151.7° | 128.9° |
| N2 | S | O3 | C15 | 115.3° | 111.8° |
| N2 | S | C15 | C16 | 55.3° | 180.0° |
| N2 | S | C15 | H12 | 65.4° | 60.0° |
| N2 | S | C15 | H13 | 175.9° | 60.0° |
| S | N2 | C14 | H21 | 65.7° | 45.0° |
| S | N2 | C14 | H22 | 54.6° | 74.9° |
| O3 | S | C15 | C16 | 169.8° | 68.4° |
| O3 | S | C15 | H12 | 49.2° | 51.6° |
| O3 | S | C15 | H13 | 69.6° | 171.6° |
| O3 | S | N2 | H20 | 80.1° | 1.1° |
| S | C15 | C16 | C21 | 72.0° | 90.0° |
| S | C15 | C16 | C17 | 104.0° | 90.0° |
| S | C15 | C16 | H12 | 120.6° | 120.0° |
| S | C15 | C16 | H13 | 120.6° | 120.0° |
| S | C15 | H12 | H13 | 118.1° | 120.0° |
| C15 | S | N2 | H20 | 35.9° | 115.0° |
| C19 | C20 | C21 | H16 | 180.0° | 179.9° |
| C20 | C19 | C18 | H17 | 180.0° | 179.9° |
| C19 | C20 | C21 | C16 | 0.4° | 0.0° |
| C20 | C19 | C18 | C17 | 0.9° | 0.1° |
| C19 | C20 | C21 | H4 | 179.7° | 179.7° |
| C20 | C19 | C18 | H18 | 179.1° | 180.0° |
| C21 | C20 | C19 | C18 | 1.0° | 0.1° |
| C20 | C21 | C16 | H4 | 180.0° | 179.7° |
| C20 | C21 | C16 | C17 | 1.7° | 0.2° |
| C20 | C21 | C16 | C15 | 174.3° | 179.7° |
| C21 | C20 | C19 | H17 | 179.0° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.5° | 0.4° |
| C18 | C19 | C20 | H16 | 179.0° | 180.0° |
| C19 | C18 | C17 | H19 | 179.5° | 180.0° |
| C21 | C16 | C17 | C18 | 1.8° | 0.5° |
| C21 | C16 | C17 | C15 | 176.0° | 179.9° |
| C21 | C16 | C15 | H12 | 167.4° | 150.0° |
| C21 | C16 | C15 | H13 | 48.7° | 30.0° |
| C16 | C21 | C20 | H16 | 179.6° | 180.0° |
| C21 | C16 | C17 | H19 | 178.2° | 180.0° |
| C18 | C17 | C16 | H19 | 180.0° | 179.6° |
| C18 | C17 | C16 | C15 | 174.2° | 179.5° |
| C17 | C18 | C19 | H17 | 179.1° | 179.8° |
| C17 | C16 | C21 | H4 | 178.3° | 180.0° |
| C17 | C16 | C15 | H12 | 16.6° | 30.1° |
| C17 | C16 | C15 | H13 | 135.4° | 150.0° |
| C16 | C17 | C18 | H18 | 179.5° | 179.7° |
| C15 | C16 | C21 | H4 | 5.7° | 0.0° |
| C16 | C15 | H12 | H13 | 118.1° | 119.9° |
| C15 | C16 | C17 | H19 | 5.8° | 0.1° |
| H2 | C5 | C6 | H3 | 0.9° | 0.0° |
| H4 | C21 | C20 | H16 | 0.3° | 0.3° |
| H5 | C9 | C10 | H6 | 29.5° | 144.4° |
| H5 | C9 | C10 | H7 | 151.4° | 21.2° |
| H6 | C10 | C11 | H8 | 85.3° | 35.2° |
| H6 | C10 | C11 | H9 | 36.3° | 159.0° |
| H7 | C10 | C11 | H8 | 36.5° | 88.1° |
| H7 | C10 | C11 | H9 | 158.1° | 35.8° |
| H8 | C11 | C12 | H14 | 29.2° | 36.3° |
| H8 | C11 | C12 | H15 | 92.7° | 86.0° |
| H9 | C11 | C12 | H14 | 150.8° | 160.1° |
| H9 | C11 | C12 | H15 | 28.9° | 37.8° |
| H10 | C8 | O1 | H26 | 59.6° | 60.0° |
| H11 | C8 | O1 | H26 | 59.6° | 60.0° |
| H16 | C20 | C19 | H17 | 1.0° | 0.1° |
| H17 | C19 | C18 | H18 | 0.9° | 0.1° |
| H18 | C18 | C17 | H19 | 0.5° | 0.2° |
| H20 | N2 | C14 | H21 | 173.0° | 135.0° |
| H20 | N2 | C14 | H22 | 66.6° | 105.1° |
| H23 | N | C1 | H24 | 51.8° | 120.1° |
| H23 | N | C1 | H25 | 170.6° | 119.9° |
