QN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | N3 | sing | 1.31Å | 1.32Å | Aromatic |
| C22 | C27 | sing | 1.42Å | 1.42Å | Aromatic |
| C | O | sing | 1.43Å | 1.42Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| N3 | C20 | doub | 1.32Å | 1.34Å | Aromatic |
| O1 | C7 | doub | 1.21Å | 1.22Å | |
| C25 | C26 | doub | 1.36Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C27 | C19 | doub | 1.41Å | 1.43Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C19 | N2 | sing | 1.40Å | 1.41Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | N1 | sing | 1.35Å | 1.35Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| N2 | C18 | sing | 1.35Å | 1.36Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | N | sing | 1.47Å | 1.47Å | |
| N | C3 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C18 | C9 | sing | 1.51Å | 1.55Å | |
| C18 | O3 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | C17 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | O2 | sing | 1.43Å | 1.45Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | O2 | sing | 1.36Å | 1.38Å | |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | CL | sing | 1.74Å | 1.74Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| O | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 120.6° | 119.5° |
| C23 | C24 | C25 | 120.6° | 121.1° |
| C23 | C24 | H14 | 119.7° | 119.5° |
| C24 | C23 | H18 | 119.7° | 120.2° |
| C23 | C22 | C21 | 123.1° | 122.0° |
| C23 | C22 | C27 | 119.1° | 119.3° |
| C22 | C23 | H18 | 119.7° | 120.2° |
| C24 | C25 | C26 | 120.7° | 121.0° |
| C25 | C24 | H14 | 119.7° | 119.4° |
| C24 | C25 | H17 | 119.7° | 119.6° |
| C22 | C21 | N3 | 124.2° | 120.2° |
| C21 | C22 | C27 | 117.8° | 118.7° |
| C22 | C21 | H13 | 117.9° | 119.8° |
| C21 | N3 | C20 | 117.5° | 122.9° |
| N3 | C21 | H13 | 117.9° | 119.9° |
| C22 | C27 | C26 | 118.1° | 119.6° |
| C22 | C27 | C19 | 118.1° | 118.2° |
| O | C | C1 | 111.8° | 109.5° |
| O | C | H30 | 108.8° | 109.5° |
| O | C | H31 | 108.9° | 109.4° |
| C | O | H32 | 109.5° | 114.0° |
| C | C1 | C2 | 113.8° | 109.5° |
| C | C1 | H28 | 108.4° | 109.5° |
| C | C1 | H29 | 108.3° | 109.4° |
| C1 | C | H30 | 108.9° | 109.5° |
| C1 | C | H31 | 108.9° | 109.4° |
| N3 | C20 | C19 | 125.3° | 121.6° |
| N3 | C20 | H12 | 117.3° | 119.2° |
| O1 | C7 | N1 | 121.8° | 120.0° |
| O1 | C7 | C8 | 120.2° | 120.0° |
| C25 | C26 | C27 | 120.9° | 119.5° |
| C25 | C26 | H15 | 119.5° | 120.3° |
| C26 | C25 | H17 | 119.7° | 119.5° |
| C26 | C27 | C19 | 123.8° | 122.2° |
| C27 | C26 | H15 | 119.5° | 120.3° |
| C27 | C19 | C20 | 117.1° | 118.5° |
| C27 | C19 | N2 | 119.0° | 120.8° |
| C20 | C19 | N2 | 123.9° | 120.8° |
| C19 | C20 | H12 | 117.3° | 119.2° |
| C1 | C2 | N | 114.7° | 109.5° |
| C1 | C2 | H26 | 108.2° | 109.5° |
| C1 | C2 | H27 | 108.2° | 109.4° |
| C2 | C1 | H28 | 108.4° | 109.5° |
| C2 | C1 | H29 | 108.4° | 109.4° |
| C2 | N | C6 | 112.6° | 111.0° |
| C2 | N | C3 | 111.8° | 111.0° |
| N | C2 | H26 | 108.1° | 109.5° |
| N | C2 | H27 | 108.2° | 109.5° |
| C19 | N2 | C18 | 127.1° | 120.0° |
| C19 | N2 | H16 | 116.4° | 120.0° |
| N1 | C5 | C6 | 111.0° | 108.5° |
| C5 | N1 | C7 | 122.3° | 120.9° |
| C5 | N1 | C4 | 115.4° | 118.2° |
| N1 | C5 | H3 | 109.1° | 109.6° |
| N1 | C5 | H4 | 109.1° | 109.7° |
| C5 | C6 | N | 111.0° | 109.4° |
| C6 | C5 | H3 | 109.1° | 109.6° |
| C6 | C5 | H4 | 109.1° | 109.6° |
| C5 | C6 | H5 | 109.1° | 109.5° |
| C5 | C6 | H6 | 109.1° | 109.5° |
| N1 | C7 | C8 | 118.0° | 120.0° |
| C7 | N1 | C4 | 121.8° | 120.9° |
| C7 | C8 | C9 | 115.0° | 109.5° |
| C7 | C8 | H7 | 108.1° | 109.5° |
| C7 | C8 | H8 | 108.1° | 109.5° |
| N1 | C4 | C3 | 110.7° | 108.5° |
| N1 | C4 | H1 | 109.2° | 109.6° |
| N1 | C4 | H2 | 109.2° | 109.6° |
| N2 | C18 | C9 | 118.0° | 120.0° |
| N2 | C18 | O3 | 121.2° | 120.0° |
| C18 | N2 | H16 | 116.5° | 120.0° |
| C4 | C3 | N | 110.6° | 109.4° |
| C3 | C4 | H1 | 109.2° | 109.6° |
| C3 | C4 | H2 | 109.2° | 109.6° |
| C4 | C3 | H23 | 109.2° | 109.5° |
| C4 | C3 | H24 | 109.2° | 109.5° |
| C6 | N | C3 | 109.2° | 111.2° |
| N | C6 | H5 | 109.1° | 109.5° |
| N | C6 | H6 | 109.1° | 109.5° |
| N | C3 | H23 | 109.2° | 109.4° |
| N | C3 | H24 | 109.2° | 109.6° |
| C8 | C9 | C18 | 111.8° | 109.4° |
| C8 | C9 | C10 | 111.8° | 109.4° |
| C8 | C9 | C17 | 108.4° | 109.4° |
| C9 | C8 | H7 | 108.1° | 109.5° |
| C9 | C8 | H8 | 108.0° | 109.5° |
| C9 | C18 | O3 | 120.8° | 120.0° |
| C18 | C9 | C10 | 106.9° | 109.5° |
| C18 | C9 | C17 | 111.9° | 109.4° |
| C10 | C9 | C17 | 105.9° | 109.7° |
| C9 | C10 | C11 | 112.0° | 108.3° |
| C9 | C10 | H9 | 108.8° | 109.7° |
| C9 | C10 | H10 | 108.9° | 109.8° |
| C9 | C17 | C16 | 119.9° | 118.8° |
| C9 | C17 | C12 | 121.9° | 121.4° |
| C10 | C11 | O2 | 113.7° | 108.3° |
| C11 | C10 | H9 | 108.9° | 109.7° |
| C11 | C10 | H10 | 108.8° | 109.7° |
| C10 | C11 | H21 | 108.4° | 109.7° |
| C10 | C11 | H22 | 108.4° | 109.7° |
| C11 | O2 | C12 | 117.6° | 117.9° |
| O2 | C11 | H21 | 108.4° | 109.7° |
| O2 | C11 | H22 | 108.4° | 109.7° |
| C16 | C17 | C12 | 118.1° | 119.9° |
| C17 | C16 | C15 | 119.6° | 120.3° |
| C17 | C16 | H19 | 120.2° | 119.8° |
| C17 | C12 | O2 | 123.5° | 121.8° |
| C17 | C12 | C13 | 121.5° | 119.7° |
| C16 | C15 | CL | 118.8° | 120.0° |
| C16 | C15 | C14 | 121.9° | 120.0° |
| C15 | C16 | H19 | 120.2° | 119.9° |
| O2 | C12 | C13 | 115.0° | 118.5° |
| C12 | C13 | C14 | 119.5° | 120.2° |
| C12 | C13 | H11 | 120.2° | 119.9° |
| CL | C15 | C14 | 119.1° | 120.0° |
| C15 | C14 | C13 | 119.3° | 120.0° |
| C15 | C14 | H20 | 120.4° | 120.0° |
| C14 | C13 | H11 | 120.3° | 119.9° |
| C13 | C14 | H20 | 120.4° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.8° |
| H3 | C5 | H4 | 109.5° | 109.8° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.7° |
| H21 | C11 | H22 | 109.5° | 109.8° |
| H23 | C3 | H24 | 109.5° | 109.5° |
| H26 | C2 | H27 | 109.5° | 109.5° |
| H28 | C1 | H29 | 109.5° | 109.5° |
| H30 | C | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H18 | 180.0° | 180.0° |
| C23 | C24 | C25 | H14 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 179.3° | 180.0° |
| C24 | C23 | C22 | C27 | 0.1° | 0.1° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C23 | C24 | C25 | H17 | 179.8° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.1° |
| C23 | C22 | C21 | C27 | 179.3° | 180.0° |
| C23 | C22 | C21 | N3 | 179.4° | 180.0° |
| C23 | C22 | C27 | C26 | 0.0° | 0.0° |
| C23 | C22 | C27 | C19 | 179.3° | 180.0° |
| C23 | C22 | C21 | H13 | 0.6° | 0.0° |
| C22 | C23 | C24 | H14 | 180.0° | 180.0° |
| C24 | C25 | C26 | H17 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C24 | C25 | C26 | H15 | 179.7° | 180.0° |
| C25 | C24 | C23 | H18 | 180.0° | 179.9° |
| C22 | C21 | N3 | H13 | 180.0° | 180.0° |
| C22 | C21 | N3 | C20 | 0.2° | 0.0° |
| C21 | C22 | C27 | C26 | 179.3° | 180.0° |
| C21 | C22 | C27 | C19 | 0.1° | 0.0° |
| C21 | C22 | C23 | H18 | 0.7° | 0.1° |
| N3 | C21 | C22 | C27 | 0.1° | 0.0° |
| C21 | N3 | C20 | C19 | 0.6° | 0.0° |
| C21 | N3 | C20 | H12 | 179.3° | 180.0° |
| C22 | C27 | C26 | C25 | 0.2° | 0.0° |
| C22 | C27 | C26 | C19 | 179.2° | 180.0° |
| C22 | C27 | C19 | C20 | 0.5° | 0.0° |
| C22 | C27 | C19 | N2 | 176.7° | 180.0° |
| C27 | C22 | C21 | H13 | 179.9° | 180.0° |
| C22 | C27 | C26 | H15 | 179.8° | 180.0° |
| C27 | C22 | C23 | H18 | 179.9° | 179.9° |
| O | C | C1 | H30 | 120.3° | 120.0° |
| O | C | C1 | H31 | 120.3° | 119.9° |
| O | C | C1 | C2 | 91.5° | 180.0° |
| O | C | C1 | H28 | 29.1° | 60.0° |
| O | C | C1 | H29 | 147.8° | 60.1° |
| O | C | H30 | H31 | 118.9° | 120.0° |
| C | C1 | C2 | H28 | 120.6° | 120.1° |
| C | C1 | C2 | H29 | 120.6° | 119.9° |
| C | C1 | C2 | N | 138.2° | 180.0° |
| C | C1 | C2 | H26 | 101.1° | 59.9° |
| C | C1 | C2 | H27 | 17.4° | 60.1° |
| C | C1 | H28 | H29 | 118.0° | 120.0° |
| C1 | C | H30 | H31 | 118.9° | 120.0° |
| C1 | C | O | H32 | 180.0° | 180.0° |
| N3 | C20 | C19 | C27 | 0.8° | 0.0° |
| N3 | C20 | C19 | H12 | 180.0° | 180.0° |
| N3 | C20 | C19 | N2 | 176.2° | 180.0° |
| C20 | N3 | C21 | H13 | 179.8° | 180.0° |
| O1 | C7 | N1 | C5 | 102.9° | 179.7° |
| O1 | C7 | N1 | C8 | 177.5° | 180.0° |
| O1 | C7 | N1 | C4 | 69.1° | 0.0° |
| O1 | C7 | C8 | C9 | 74.6° | 0.7° |
| O1 | C7 | C8 | H7 | 164.6° | 119.3° |
| O1 | C7 | C8 | H8 | 46.2° | 120.7° |
| C25 | C26 | C27 | H15 | 180.0° | 180.0° |
| C25 | C26 | C27 | C19 | 179.4° | 180.0° |
| C26 | C25 | C24 | H14 | 179.8° | 180.0° |
| C26 | C27 | C19 | C20 | 179.6° | 180.0° |
| C26 | C27 | C19 | N2 | 2.5° | 0.0° |
| C27 | C26 | C25 | H17 | 179.7° | 179.9° |
| C27 | C19 | C20 | N2 | 177.0° | 179.9° |
| C27 | C19 | N2 | C18 | 100.7° | 150.8° |
| C27 | C19 | C20 | H12 | 179.2° | 180.0° |
| C19 | C27 | C26 | H15 | 0.6° | 0.0° |
| C27 | C19 | N2 | H16 | 79.3° | 29.2° |
| C20 | C19 | N2 | C18 | 76.2° | 29.2° |
| C20 | C19 | N2 | H16 | 103.8° | 150.9° |
| C1 | C2 | N | H26 | 120.8° | 120.0° |
| C1 | C2 | N | H27 | 120.8° | 119.9° |
| C1 | C2 | N | C6 | 137.9° | 170.0° |
| C1 | C2 | N | C3 | 98.7° | 65.7° |
| C1 | C2 | H26 | H27 | 117.7° | 120.0° |
| C2 | C1 | H28 | H29 | 118.0° | 120.0° |
| C2 | C1 | C | H30 | 148.1° | 60.0° |
| C2 | C1 | C | H31 | 28.8° | 60.0° |
| C2 | N | C6 | C5 | 64.3° | 172.8° |
| C2 | N | C3 | C4 | 63.5° | 172.8° |
| C2 | N | C6 | C3 | 124.8° | 124.2° |
| C2 | N | C6 | H5 | 55.9° | 67.3° |
| C2 | N | C6 | H6 | 175.5° | 52.8° |
| C2 | N | C3 | H23 | 176.3° | 52.8° |
| C2 | N | C3 | H24 | 56.6° | 67.2° |
| N | C2 | H26 | H27 | 117.6° | 120.0° |
| N | C2 | C1 | H28 | 17.5° | 60.0° |
| N | C2 | C1 | H29 | 101.2° | 60.0° |
| C19 | N2 | C18 | H16 | 180.0° | 180.0° |
| C19 | N2 | C18 | C9 | 177.8° | 173.5° |
| C19 | N2 | C18 | O3 | 2.8° | 6.6° |
| N2 | C19 | C20 | H12 | 3.8° | 0.1° |
| N1 | C5 | C6 | H3 | 120.2° | 119.7° |
| N1 | C5 | C6 | H4 | 120.2° | 119.7° |
| C5 | N1 | C7 | C4 | 171.9° | 179.8° |
| C5 | N1 | C7 | C8 | 74.6° | 0.3° |
| C5 | N1 | C4 | C3 | 49.5° | 51.2° |
| N1 | C5 | C6 | N | 53.0° | 53.9° |
| C5 | N1 | C4 | H1 | 169.7° | 68.5° |
| C5 | N1 | C4 | H2 | 70.7° | 170.9° |
| N1 | C5 | H3 | H4 | 119.3° | 120.5° |
| N1 | C5 | C6 | H5 | 173.2° | 66.1° |
| N1 | C5 | C6 | H6 | 67.2° | 173.9° |
| C6 | C5 | N1 | C7 | 139.3° | 128.6° |
| C6 | C5 | N1 | C4 | 48.3° | 51.2° |
| C5 | C6 | N | H5 | 120.2° | 120.0° |
| C5 | C6 | N | H6 | 120.2° | 120.0° |
| C5 | C6 | N | C3 | 60.5° | 63.1° |
| C6 | C5 | H3 | H4 | 119.3° | 120.5° |
| C5 | C6 | H5 | H6 | 119.3° | 120.0° |
| C7 | N1 | C4 | C3 | 138.1° | 128.5° |
| N1 | C7 | C8 | C9 | 107.9° | 179.3° |
| C7 | N1 | C4 | H1 | 17.9° | 111.7° |
| C7 | N1 | C4 | H2 | 101.7° | 8.9° |
| C7 | N1 | C5 | H3 | 100.4° | 8.9° |
| C7 | N1 | C5 | H4 | 19.1° | 111.7° |
| N1 | C7 | C8 | H7 | 13.0° | 60.7° |
| N1 | C7 | C8 | H8 | 131.4° | 59.3° |
| C8 | C7 | N1 | C4 | 113.5° | 180.0° |
| C7 | C8 | C9 | H7 | 120.8° | 120.0° |
| C7 | C8 | C9 | H8 | 120.8° | 120.0° |
| C7 | C8 | C9 | C18 | 90.1° | 59.7° |
| C7 | C8 | C9 | C10 | 29.8° | 60.2° |
| C7 | C8 | C9 | C17 | 146.1° | 179.6° |
| C7 | C8 | H7 | H8 | 117.5° | 120.0° |
| N1 | C4 | C3 | H1 | 120.2° | 119.7° |
| N1 | C4 | C3 | H2 | 120.2° | 119.7° |
| N1 | C4 | C3 | N | 55.4° | 53.9° |
| N1 | C4 | H1 | H2 | 119.5° | 120.4° |
| C4 | N1 | C5 | H3 | 72.0° | 170.9° |
| C4 | N1 | C5 | H4 | 168.5° | 68.5° |
| N1 | C4 | C3 | H23 | 64.7° | 173.8° |
| N1 | C4 | C3 | H24 | 175.6° | 66.2° |
| N2 | C18 | C9 | C8 | 36.9° | 55.2° |
| N2 | C18 | C9 | O3 | 179.5° | 179.9° |
| N2 | C18 | C9 | C10 | 85.8° | 175.1° |
| N2 | C18 | C9 | C17 | 158.8° | 64.7° |
| C4 | C3 | N | C6 | 61.8° | 63.1° |
| C4 | C3 | N | H23 | 120.2° | 120.0° |
| C4 | C3 | N | H24 | 120.2° | 120.0° |
| C3 | C4 | H1 | H2 | 119.4° | 120.5° |
| C4 | C3 | H23 | H24 | 119.5° | 120.0° |
| N | C6 | C5 | H3 | 67.2° | 173.6° |
| N | C6 | C5 | H4 | 173.3° | 65.9° |
| N | C6 | H5 | H6 | 119.3° | 120.1° |
| C6 | N | C3 | H23 | 58.4° | 176.9° |
| C6 | N | C3 | H24 | 178.0° | 56.9° |
| C6 | N | C2 | H26 | 17.1° | 70.0° |
| C6 | N | C2 | H27 | 101.3° | 50.0° |
| N | C3 | C4 | H1 | 175.6° | 65.9° |
| N | C3 | C4 | H2 | 64.8° | 173.5° |
| C3 | N | C6 | H5 | 179.2° | 56.9° |
| C3 | N | C6 | H6 | 59.7° | 177.0° |
| N | C3 | H23 | H24 | 119.5° | 120.1° |
| C3 | N | C2 | H26 | 140.6° | 54.3° |
| C3 | N | C2 | H27 | 22.1° | 174.3° |
| C8 | C9 | C18 | C10 | 122.7° | 119.9° |
| C8 | C9 | C18 | C17 | 121.8° | 119.8° |
| C8 | C9 | C18 | O3 | 143.6° | 124.9° |
| C8 | C9 | C10 | C17 | 117.8° | 120.1° |
| C8 | C9 | C10 | C11 | 169.7° | 168.4° |
| C8 | C9 | C17 | C16 | 35.1° | 42.2° |
| C8 | C9 | C17 | C12 | 148.1° | 138.0° |
| C9 | C8 | H7 | H8 | 117.4° | 120.0° |
| C8 | C9 | C10 | H9 | 69.9° | 72.0° |
| C8 | C9 | C10 | H10 | 49.3° | 48.7° |
| C18 | C9 | C10 | C17 | 119.4° | 120.1° |
| C18 | C9 | C10 | C11 | 67.6° | 71.8° |
| C18 | C9 | C17 | C16 | 88.7° | 77.6° |
| C18 | C9 | C17 | C12 | 88.1° | 102.2° |
| C18 | C9 | C8 | H7 | 149.1° | 179.7° |
| C18 | C9 | C8 | H8 | 30.7° | 60.3° |
| C18 | C9 | C10 | H9 | 52.8° | 47.9° |
| C18 | C9 | C10 | H10 | 172.1° | 168.5° |
| C9 | C18 | N2 | H16 | 2.2° | 6.5° |
| O3 | C18 | C9 | C10 | 93.7° | 5.0° |
| O3 | C18 | C9 | C17 | 21.8° | 115.3° |
| O3 | C18 | N2 | H16 | 177.2° | 173.4° |
| C9 | C10 | C11 | H9 | 120.4° | 119.7° |
| C9 | C10 | C11 | H10 | 120.4° | 119.7° |
| C9 | C10 | C11 | O2 | 56.5° | 64.7° |
| C10 | C9 | C17 | C16 | 155.2° | 162.3° |
| C10 | C9 | C17 | C12 | 28.0° | 18.0° |
| C10 | C9 | C8 | H7 | 91.1° | 59.8° |
| C10 | C9 | C8 | H8 | 150.6° | 179.8° |
| C9 | C10 | H9 | H10 | 118.9° | 120.7° |
| C9 | C10 | C11 | H21 | 64.1° | 55.0° |
| C9 | C10 | C11 | H22 | 177.1° | 175.6° |
| C17 | C9 | C10 | C11 | 51.9° | 48.3° |
| C9 | C17 | C16 | C12 | 176.9° | 179.8° |
| C9 | C17 | C16 | C15 | 172.9° | 179.6° |
| C9 | C17 | C12 | O2 | 4.8° | 0.6° |
| C9 | C17 | C12 | C13 | 174.1° | 179.5° |
| C17 | C9 | C8 | H7 | 25.2° | 60.4° |
| C17 | C9 | C8 | H8 | 93.1° | 59.6° |
| C17 | C9 | C10 | H9 | 172.3° | 168.0° |
| C17 | C9 | C10 | H10 | 68.5° | 71.4° |
| C9 | C17 | C16 | H19 | 7.2° | 0.4° |
| C10 | C11 | O2 | H21 | 120.6° | 119.7° |
| C10 | C11 | O2 | H22 | 120.6° | 119.7° |
| C10 | C11 | O2 | C12 | 30.8° | 49.2° |
| C11 | C10 | H9 | H10 | 118.8° | 120.5° |
| C10 | C11 | H21 | H22 | 118.1° | 120.6° |
| C11 | O2 | C12 | C17 | 5.0° | 17.3° |
| C11 | O2 | C12 | C13 | 174.0° | 162.9° |
| O2 | C11 | C10 | H9 | 176.9° | 175.6° |
| O2 | C11 | C10 | H10 | 63.9° | 55.0° |
| O2 | C11 | H21 | H22 | 118.1° | 120.5° |
| C17 | C16 | C15 | H19 | 180.0° | 180.0° |
| C16 | C17 | C12 | O2 | 178.4° | 179.6° |
| C16 | C17 | C12 | C13 | 2.7° | 0.2° |
| C17 | C16 | C15 | CL | 171.0° | 180.0° |
| C17 | C16 | C15 | C14 | 3.1° | 0.0° |
| C12 | C17 | C16 | C15 | 4.0° | 0.2° |
| C17 | C12 | O2 | C13 | 179.0° | 179.9° |
| C17 | C12 | C13 | C14 | 0.3° | 0.2° |
| C17 | C12 | C13 | H11 | 179.7° | 179.9° |
| C12 | C17 | C16 | H19 | 175.9° | 179.9° |
| C16 | C15 | CL | C14 | 174.3° | 180.0° |
| C16 | C15 | C14 | C13 | 0.7° | 0.0° |
| C16 | C15 | C14 | H20 | 179.3° | 180.0° |
| O2 | C12 | C13 | C14 | 179.3° | 179.7° |
| O2 | C12 | C13 | H11 | 0.7° | 0.3° |
| C12 | O2 | C11 | H21 | 89.8° | 70.5° |
| C12 | O2 | C11 | H22 | 151.4° | 168.9° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | H20 | 179.3° | 180.0° |
| CL | C15 | C14 | C13 | 173.5° | 179.9° |
| CL | C15 | C16 | H19 | 9.0° | 0.0° |
| CL | C15 | C14 | H20 | 6.5° | 0.1° |
| C15 | C14 | C13 | H20 | 180.0° | 180.0° |
| C15 | C14 | C13 | H11 | 179.3° | 180.0° |
| C14 | C15 | C16 | H19 | 176.9° | 180.0° |
| H1 | C4 | C3 | H23 | 55.4° | 54.1° |
| H1 | C4 | C3 | H24 | 64.2° | 174.1° |
| H2 | C4 | C3 | H23 | 175.1° | 66.5° |
| H2 | C4 | C3 | H24 | 55.4° | 53.5° |
| H3 | C5 | C6 | H5 | 53.0° | 53.6° |
| H3 | C5 | C6 | H6 | 172.6° | 66.5° |
| H4 | C5 | C6 | H5 | 66.5° | 174.1° |
| H4 | C5 | C6 | H6 | 53.0° | 54.1° |
| H9 | C10 | C11 | H21 | 56.3° | 64.7° |
| H9 | C10 | C11 | H22 | 62.5° | 55.9° |
| H10 | C10 | C11 | H21 | 175.5° | 174.7° |
| H10 | C10 | C11 | H22 | 56.8° | 64.6° |
| H11 | C13 | C14 | H20 | 0.7° | 0.0° |
| H14 | C24 | C25 | H17 | 0.2° | 0.1° |
| H14 | C24 | C23 | H18 | 0.0° | 0.0° |
| H15 | C26 | C25 | H17 | 0.3° | 0.1° |
| H26 | C2 | C1 | H28 | 138.3° | 180.0° |
| H26 | C2 | C1 | H29 | 19.5° | 60.0° |
| H27 | C2 | C1 | H28 | 103.2° | 60.0° |
| H27 | C2 | C1 | H29 | 138.0° | 180.0° |
| H28 | C1 | C | H30 | 91.2° | 180.0° |
| H28 | C1 | C | H31 | 149.5° | 60.0° |
| H29 | C1 | C | H30 | 27.5° | 60.0° |
| H29 | C1 | C | H31 | 91.8° | NaN° |
| H30 | C | O | H32 | 59.6° | 59.9° |
| H31 | C | O | H32 | 59.7° | 60.1° |
