D99
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.40Å | 1.43Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C14 | sing | 1.35Å | 1.35Å | |
| N1 | C24 | sing | 1.47Å | 1.50Å | |
| O1 | C7 | sing | 1.43Å | 1.45Å | |
| CL1 | C9 | sing | 1.74Å | 1.78Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| N2 | C17 | sing | 1.35Å | 1.36Å | |
| N2 | C18 | sing | 1.47Å | 1.49Å | |
| N2 | C22 | sing | 1.47Å | 1.47Å | |
| O2 | C14 | doub | 1.21Å | 1.20Å | |
| CL2 | C4 | sing | 1.74Å | 1.80Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| O3 | C17 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| O4 | C23 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| O5 | C23 | sing | 1.34Å | 1.35Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C23 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C25 | C28 | sing | 1.53Å | 1.55Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 116.6° | 120.0° |
| N1 | C1 | C6 | 123.0° | 120.1° |
| C1 | N1 | C14 | 115.0° | 120.0° |
| C1 | N1 | C24 | 121.0° | 120.0° |
| C2 | C1 | C6 | 120.4° | 119.9° |
| C1 | C2 | C3 | 119.5° | 119.9° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C1 | C6 | C5 | 120.5° | 119.9° |
| C1 | C6 | C7 | 121.6° | 120.1° |
| C14 | N1 | C24 | 124.0° | 120.0° |
| N1 | C14 | O2 | 120.2° | 120.1° |
| N1 | C14 | C15 | 120.9° | 120.0° |
| N1 | C24 | C25 | 117.4° | 109.5° |
| N1 | C24 | H24 | 106.9° | 109.4° |
| N1 | C24 | H24A | 106.9° | 109.5° |
| O1 | C7 | C6 | 105.7° | 109.5° |
| O1 | C7 | C8 | 106.9° | 109.5° |
| C7 | O1 | HO1 | 109.5° | 114.1° |
| O1 | C7 | H7 | 116.5° | 109.5° |
| CL1 | C9 | C8 | 119.6° | 120.0° |
| CL1 | C9 | C10 | 118.8° | 120.0° |
| C2 | C3 | C4 | 118.8° | 120.0° |
| C3 | C2 | H2 | 120.3° | 120.0° |
| C2 | C3 | H3 | 120.6° | 120.0° |
| C17 | N2 | C18 | 122.6° | 120.6° |
| C17 | N2 | C22 | 120.5° | 120.6° |
| N2 | C17 | O3 | 121.7° | 120.0° |
| N2 | C17 | C16 | 118.5° | 120.0° |
| C18 | N2 | C22 | 116.6° | 118.7° |
| N2 | C18 | C19 | 110.4° | 108.8° |
| N2 | C18 | H18 | 109.2° | 109.6° |
| N2 | C18 | H18A | 109.1° | 109.6° |
| N2 | C22 | C21 | 106.6° | 109.0° |
| N2 | C22 | H22 | 110.4° | 109.6° |
| N2 | C22 | H22A | 110.4° | 109.6° |
| O2 | C14 | C15 | 119.0° | 120.0° |
| CL2 | C4 | C3 | 119.2° | 119.9° |
| CL2 | C4 | C5 | 119.4° | 119.9° |
| C3 | C4 | C5 | 121.3° | 120.1° |
| C4 | C3 | H3 | 120.6° | 120.0° |
| O3 | C17 | C16 | 119.8° | 120.0° |
| C4 | C5 | C6 | 119.3° | 120.1° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| O4 | C23 | O5 | 117.6° | 120.0° |
| O4 | C23 | C19 | 120.4° | 120.0° |
| C5 | C6 | C7 | 117.9° | 120.0° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| O5 | C23 | C19 | 122.0° | 120.0° |
| C23 | O5 | HO5 | 109.5° | 117.0° |
| C6 | C7 | C8 | 117.1° | 109.5° |
| C6 | C7 | H7 | 106.1° | 109.4° |
| C7 | C8 | C9 | 121.8° | 120.1° |
| C7 | C8 | C13 | 119.0° | 120.0° |
| C8 | C7 | H7 | 105.0° | 109.4° |
| C9 | C8 | C13 | 119.2° | 119.9° |
| C8 | C9 | C10 | 121.6° | 120.0° |
| C8 | C13 | C12 | 119.4° | 120.0° |
| C8 | C13 | H13 | 120.3° | 119.9° |
| C9 | C10 | C11 | 118.9° | 120.0° |
| C9 | C10 | H10 | 120.5° | 120.0° |
| C10 | C11 | C12 | 120.8° | 120.0° |
| C11 | C10 | H10 | 120.5° | 120.0° |
| C10 | C11 | H11 | 119.6° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C12 | C11 | H11 | 119.6° | 120.0° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.3° | 120.0° |
| C14 | C15 | C16 | 107.9° | 109.4° |
| C14 | C15 | H15 | 110.0° | 109.5° |
| C14 | C15 | H15A | 110.0° | 109.5° |
| C15 | C16 | C17 | 111.3° | 109.4° |
| C16 | C15 | H15 | 110.0° | 109.5° |
| C16 | C15 | H15A | 110.0° | 109.5° |
| C15 | C16 | H16 | 108.9° | 109.5° |
| C15 | C16 | H16A | 108.9° | 109.5° |
| C17 | C16 | H16 | 108.9° | 109.5° |
| C17 | C16 | H16A | 108.9° | 109.5° |
| C18 | C19 | C20 | 109.6° | 109.3° |
| C18 | C19 | C23 | 108.1° | 109.5° |
| C19 | C18 | H18 | 109.2° | 109.6° |
| C19 | C18 | H18A | 109.2° | 109.6° |
| C18 | C19 | H19 | 111.3° | 109.5° |
| C20 | C19 | C23 | 112.5° | 109.5° |
| C19 | C20 | C21 | 112.5° | 109.5° |
| C20 | C19 | H19 | 106.9° | 109.5° |
| C19 | C20 | H20 | 108.5° | 109.4° |
| C19 | C20 | H20A | 108.5° | 109.4° |
| C23 | C19 | H19 | 108.4° | 109.5° |
| C20 | C21 | C22 | 112.5° | 109.4° |
| C21 | C20 | H20 | 108.5° | 109.5° |
| C21 | C20 | H20A | 108.5° | 109.5° |
| C20 | C21 | H21 | 108.5° | 109.5° |
| C20 | C21 | H21A | 108.5° | 109.5° |
| C22 | C21 | H21 | 108.5° | 109.6° |
| C22 | C21 | H21A | 108.5° | 109.4° |
| C21 | C22 | H22 | 110.5° | 109.5° |
| C21 | C22 | H22A | 110.5° | 109.4° |
| C24 | C25 | C26 | 113.8° | 109.5° |
| C24 | C25 | C27 | 102.8° | 109.5° |
| C24 | C25 | C28 | 110.4° | 109.5° |
| C25 | C24 | H24 | 106.9° | 109.5° |
| C25 | C24 | H24A | 106.9° | 109.5° |
| C26 | C25 | C27 | 109.0° | 109.5° |
| C26 | C25 | C28 | 111.6° | 109.4° |
| C25 | C26 | H26 | 109.5° | 109.4° |
| C25 | C26 | H26A | 109.4° | 109.5° |
| C25 | C26 | H26B | 109.5° | 109.5° |
| C27 | C25 | C28 | 108.8° | 109.5° |
| C25 | C27 | H27 | 109.5° | 109.4° |
| C25 | C27 | H27A | 109.5° | 109.5° |
| C25 | C27 | H27B | 109.5° | 109.5° |
| C25 | C28 | H28 | 109.5° | 109.5° |
| C25 | C28 | H28A | 109.5° | 109.5° |
| C25 | C28 | H28B | 109.5° | 109.5° |
| H15 | C15 | H15A | 108.9° | 109.5° |
| H16 | C16 | H16A | 110.1° | 109.5° |
| H18 | C18 | H18A | 109.8° | 109.6° |
| H20 | C20 | H20A | 110.5° | 109.5° |
| H21 | C21 | H21A | 110.4° | 109.5° |
| H22 | C22 | H22A | 108.5° | 109.8° |
| H24 | C24 | H24A | 111.9° | 109.5° |
| H26 | C26 | H26A | 109.4° | 109.5° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.4° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | C6 | 178.6° | 179.7° |
| C1 | N1 | C14 | C24 | 179.4° | 180.0° |
| N1 | C1 | C2 | C3 | 178.6° | 180.0° |
| C1 | N1 | C14 | O2 | 178.2° | 3.6° |
| N1 | C1 | C6 | C5 | 179.6° | 179.7° |
| N1 | C1 | C6 | C7 | 1.6° | 0.0° |
| C1 | N1 | C14 | C15 | 2.4° | 176.4° |
| C1 | N1 | C24 | C25 | 86.2° | 84.2° |
| N1 | C1 | C2 | H2 | 1.4° | 0.1° |
| C1 | N1 | C24 | H24 | 33.8° | 155.9° |
| C1 | N1 | C24 | H24A | 153.8° | 35.8° |
| C2 | C1 | N1 | C14 | 78.7° | 67.5° |
| C2 | C1 | N1 | C24 | 101.8° | 112.5° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 5.0° | 0.0° |
| C2 | C1 | C6 | C5 | 1.1° | 0.7° |
| C2 | C1 | C6 | C7 | 176.9° | 179.7° |
| C1 | C2 | C3 | H3 | 175.0° | 180.0° |
| C6 | C1 | N1 | C14 | 99.8° | 112.8° |
| C6 | C1 | N1 | C24 | 79.6° | 67.1° |
| C1 | C6 | C7 | O1 | 91.1° | 122.4° |
| C6 | C1 | C2 | C3 | 2.8° | 0.4° |
| C1 | C6 | C5 | C4 | 1.5° | 0.7° |
| C1 | C6 | C5 | C7 | 178.0° | 179.6° |
| C1 | C6 | C7 | C8 | 150.1° | 117.6° |
| C6 | C1 | C2 | H2 | 177.2° | 179.8° |
| C1 | C6 | C5 | H5 | 178.5° | 179.7° |
| C1 | C6 | C7 | H7 | 33.3° | 2.4° |
| N1 | C14 | O2 | C15 | 179.4° | 180.0° |
| N1 | C14 | C15 | C16 | 159.1° | 173.8° |
| C14 | N1 | C24 | C25 | 94.4° | 95.9° |
| N1 | C14 | C15 | H15 | 39.1° | 53.8° |
| N1 | C14 | C15 | H15A | 80.9° | 66.2° |
| C14 | N1 | C24 | H24 | 145.6° | 24.1° |
| C14 | N1 | C24 | H24A | 25.6° | 144.2° |
| C24 | N1 | C14 | O2 | 2.4° | 176.4° |
| C24 | N1 | C14 | C15 | 177.0° | 3.7° |
| N1 | C24 | C25 | H24 | 120.0° | 119.9° |
| N1 | C24 | C25 | H24A | 120.0° | 120.0° |
| N1 | C24 | C25 | C26 | 44.3° | 59.1° |
| N1 | C24 | C25 | C27 | 162.0° | 179.1° |
| N1 | C24 | C25 | C28 | 82.1° | 60.9° |
| N1 | C24 | H24 | H24A | 116.7° | 120.0° |
| O1 | C7 | C6 | C5 | 87.0° | 57.9° |
| O1 | C7 | C6 | C8 | 118.8° | 120.0° |
| O1 | C7 | C6 | H7 | 124.3° | 120.0° |
| O1 | C7 | C8 | H7 | 124.3° | 120.0° |
| O1 | C7 | C8 | C9 | 165.4° | 151.2° |
| O1 | C7 | C8 | C13 | 13.6° | 29.1° |
| CL1 | C9 | C8 | C7 | 2.8° | 0.1° |
| CL1 | C9 | C8 | C10 | 178.7° | 180.0° |
| CL1 | C9 | C8 | C13 | 178.1° | 179.8° |
| CL1 | C9 | C10 | C11 | 178.8° | 180.0° |
| CL1 | C9 | C10 | H10 | 1.2° | 0.0° |
| C2 | C3 | C4 | CL2 | 176.4° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 5.6° | 0.1° |
| C17 | N2 | C18 | C22 | 174.1° | 179.8° |
| N2 | C17 | O3 | C16 | 177.8° | 180.0° |
| N2 | C17 | C16 | C15 | 179.9° | 180.0° |
| C17 | N2 | C18 | C19 | 164.0° | 126.3° |
| C17 | N2 | C22 | C21 | 119.5° | 126.4° |
| N2 | C17 | C16 | H16 | 60.0° | 60.0° |
| N2 | C17 | C16 | H16A | 59.9° | 60.0° |
| C17 | N2 | C18 | H18 | 44.0° | 113.8° |
| C17 | N2 | C18 | H18A | 76.0° | 6.6° |
| C17 | N2 | C22 | H22 | 120.5° | 6.6° |
| C17 | N2 | C22 | H22A | 0.5° | 113.9° |
| C18 | N2 | C17 | O3 | 165.2° | 0.0° |
| C18 | N2 | C17 | C16 | 16.9° | 180.0° |
| N2 | C18 | C19 | H18 | 120.0° | 119.9° |
| N2 | C18 | C19 | H18A | 120.0° | 119.8° |
| N2 | C18 | C19 | C20 | 39.6° | 54.7° |
| N2 | C18 | C19 | C23 | 162.6° | 174.6° |
| C18 | N2 | C22 | C21 | 66.3° | 53.4° |
| N2 | C18 | H18 | H18A | 119.6° | 120.4° |
| N2 | C18 | C19 | H19 | 78.4° | 65.3° |
| C18 | N2 | C22 | H22 | 53.7° | 173.2° |
| C18 | N2 | C22 | H22A | 173.7° | 66.3° |
| C22 | N2 | C17 | O3 | 20.9° | 179.8° |
| C22 | N2 | C17 | C16 | 156.9° | 0.3° |
| C22 | N2 | C18 | C19 | 21.9° | 53.4° |
| N2 | C22 | C21 | C20 | 44.1° | 54.4° |
| N2 | C22 | C21 | H22 | 120.0° | 119.9° |
| N2 | C22 | C21 | H22A | 120.0° | 119.8° |
| C22 | N2 | C18 | H18 | 141.9° | 66.4° |
| C22 | N2 | C18 | H18A | 98.1° | 173.2° |
| N2 | C22 | C21 | H21 | 75.9° | 174.4° |
| N2 | C22 | C21 | H21A | 164.1° | 65.5° |
| N2 | C22 | H22 | H22A | 121.1° | 120.4° |
| O2 | C14 | C15 | C16 | 20.3° | 6.2° |
| O2 | C14 | C15 | H15 | 140.3° | 126.2° |
| O2 | C14 | C15 | H15A | 99.7° | 113.8° |
| CL2 | C4 | C3 | C5 | 178.0° | 180.0° |
| CL2 | C4 | C5 | C6 | 178.1° | 179.7° |
| CL2 | C4 | C3 | H3 | 3.6° | 0.0° |
| CL2 | C4 | C5 | H5 | 1.9° | 0.1° |
| C3 | C4 | C5 | C6 | 3.9° | 0.4° |
| C4 | C3 | C2 | H2 | 175.0° | 179.9° |
| C3 | C4 | C5 | H5 | 176.2° | 180.0° |
| O3 | C17 | C16 | C15 | 2.1° | 0.0° |
| O3 | C17 | C16 | H16 | 122.1° | 120.0° |
| O3 | C17 | C16 | H16A | 117.9° | 120.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | C7 | 176.5° | 179.7° |
| C5 | C4 | C3 | H3 | 174.4° | 180.0° |
| O4 | C23 | O5 | C19 | 179.5° | 179.9° |
| O4 | C23 | C19 | C18 | 40.5° | 119.9° |
| O4 | C23 | C19 | C20 | 161.7° | 0.1° |
| O4 | C23 | C19 | H19 | 80.4° | 120.0° |
| O4 | C23 | O5 | HO5 | 0.0° | 0.1° |
| C5 | C6 | C7 | C8 | 31.9° | 62.1° |
| C5 | C6 | C7 | H7 | 148.7° | 178.0° |
| O5 | C23 | C19 | C18 | 140.1° | 60.0° |
| O5 | C23 | C19 | C20 | 18.9° | 179.8° |
| O5 | C23 | C19 | H19 | 99.1° | 60.1° |
| C6 | C7 | C8 | H7 | 117.4° | 120.0° |
| C6 | C7 | C8 | C9 | 76.4° | 88.8° |
| C6 | C7 | C8 | C13 | 104.6° | 90.9° |
| C6 | C7 | O1 | HO1 | 88.2° | 60.0° |
| C7 | C6 | C5 | H5 | 3.5° | 0.1° |
| C7 | C8 | C9 | C13 | 179.0° | 179.7° |
| C7 | C8 | C9 | C10 | 175.9° | 179.9° |
| C7 | C8 | C13 | C12 | 176.5° | 179.8° |
| C8 | C7 | O1 | HO1 | 146.3° | 60.0° |
| C7 | C8 | C13 | H13 | 3.5° | 0.1° |
| C8 | C9 | C10 | C11 | 2.4° | 0.0° |
| C9 | C8 | C13 | C12 | 2.5° | 0.6° |
| C9 | C8 | C7 | H7 | 41.1° | 31.2° |
| C8 | C9 | C10 | H10 | 177.6° | 179.9° |
| C9 | C8 | C13 | H13 | 177.4° | 179.8° |
| C13 | C8 | C9 | C10 | 3.1° | 0.3° |
| C8 | C13 | C12 | C11 | 1.3° | 0.6° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C13 | C8 | C7 | H7 | 138.0° | 149.1° |
| C8 | C13 | C12 | H12 | 178.7° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 1.1° | 0.0° |
| C9 | C10 | C11 | H11 | 178.9° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.3° |
| C10 | C11 | C12 | H12 | 179.4° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C12 | C11 | C10 | H10 | 178.9° | 179.9° |
| C11 | C12 | C13 | H13 | 178.7° | 179.8° |
| C13 | C12 | C11 | H11 | 179.4° | 179.7° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | C16 | C17 | 66.1° | 180.0° |
| C14 | C15 | H15 | H15A | 120.7° | 120.0° |
| C14 | C15 | C16 | H16 | 173.9° | 60.0° |
| C14 | C15 | C16 | H16A | 53.9° | 60.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C16 | C15 | H15 | H15A | 120.6° | 120.0° |
| C15 | C16 | H16 | H16A | 119.3° | 120.0° |
| C17 | C16 | C15 | H15 | 53.9° | 60.0° |
| C17 | C16 | C15 | H15A | 173.9° | 60.0° |
| C17 | C16 | H16 | H16A | 119.3° | 120.0° |
| C18 | C19 | C20 | C23 | 120.3° | 119.9° |
| C18 | C19 | C20 | H19 | 120.8° | 120.0° |
| C18 | C19 | C23 | H19 | 120.8° | 120.1° |
| C18 | C19 | C20 | C21 | 58.3° | 61.4° |
| C19 | C18 | H18 | H18A | 119.6° | 120.3° |
| C18 | C19 | C20 | H20 | 61.7° | 58.6° |
| C18 | C19 | C20 | H20A | 178.3° | 178.6° |
| C20 | C19 | C23 | H19 | 118.0° | 120.1° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 14.2° | 61.3° |
| C20 | C19 | C18 | H18 | 80.4° | 65.2° |
| C20 | C19 | C18 | H18A | 159.6° | 174.5° |
| C19 | C20 | H20 | H20A | 118.8° | 120.0° |
| C19 | C20 | C21 | H21 | 134.2° | 178.7° |
| C19 | C20 | C21 | H21A | 105.8° | 58.6° |
| C23 | C19 | C20 | C21 | 178.7° | 178.7° |
| C23 | C19 | C18 | H18 | 42.6° | 54.7° |
| C23 | C19 | C18 | H18A | 77.4° | 65.6° |
| C23 | C19 | C20 | H20 | 58.7° | 61.3° |
| C23 | C19 | C20 | H20A | 61.4° | 58.7° |
| C19 | C23 | O5 | HO5 | 179.5° | 180.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C21 | C20 | C19 | H19 | 62.5° | 58.6° |
| C21 | C20 | H20 | H20A | 118.8° | 120.0° |
| C20 | C21 | H21 | H21A | 118.8° | 120.0° |
| C20 | C21 | C22 | H22 | 75.9° | 174.3° |
| C20 | C21 | C22 | H22A | 164.1° | 65.4° |
| C22 | C21 | C20 | H20 | 105.8° | 58.7° |
| C22 | C21 | C20 | H20A | 134.2° | 178.7° |
| C22 | C21 | H21 | H21A | 118.8° | 120.0° |
| C21 | C22 | H22 | H22A | 121.2° | 120.1° |
| C24 | C25 | C26 | C27 | 114.0° | 120.0° |
| C24 | C25 | C26 | C28 | 125.8° | 120.0° |
| C24 | C25 | C27 | C28 | 117.0° | 120.0° |
| C25 | C24 | H24 | H24A | 116.8° | 120.0° |
| C24 | C25 | C26 | H26 | 180.0° | 67.0° |
| C24 | C25 | C26 | H26A | 60.0° | 172.9° |
| C24 | C25 | C26 | H26B | 60.0° | 52.9° |
| C24 | C25 | C27 | H27 | 180.0° | 60.0° |
| C24 | C25 | C27 | H27A | 60.0° | 180.0° |
| C24 | C25 | C27 | H27B | 60.0° | 60.0° |
| C24 | C25 | C28 | H28 | 180.0° | 69.4° |
| C24 | C25 | C28 | H28A | 60.0° | 170.5° |
| C24 | C25 | C28 | H28B | 60.0° | 50.6° |
| C26 | C25 | C27 | C28 | 121.9° | 120.0° |
| C26 | C25 | C24 | H24 | 164.3° | 60.8° |
| C26 | C25 | C24 | H24A | 75.7° | 179.1° |
| C25 | C26 | H26 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26B | 120.0° | 120.0° |
| C25 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C25 | C27 | H27 | 59.0° | 180.0° |
| C26 | C25 | C27 | H27A | 179.0° | 60.0° |
| C26 | C25 | C27 | H27B | 61.0° | 60.0° |
| C26 | C25 | C28 | H28 | 52.4° | 50.6° |
| C26 | C25 | C28 | H28A | 67.6° | 69.5° |
| C26 | C25 | C28 | H28B | 172.4° | 170.5° |
| C27 | C25 | C24 | H24 | 78.0° | 59.2° |
| C27 | C25 | C24 | H24A | 42.0° | 60.9° |
| C27 | C25 | C26 | H26 | 66.0° | 53.0° |
| C27 | C25 | C26 | H26A | 54.0° | 67.0° |
| C27 | C25 | C26 | H26B | 174.1° | 173.0° |
| C25 | C27 | H27 | H27A | 120.0° | 120.0° |
| C25 | C27 | H27 | H27B | 120.0° | 120.0° |
| C25 | C27 | H27A | H27B | 120.0° | 120.0° |
| C27 | C25 | C28 | H28 | 68.0° | 170.6° |
| C27 | C25 | C28 | H28A | 172.0° | 50.5° |
| C27 | C25 | C28 | H28B | 52.0° | 69.5° |
| C28 | C25 | C24 | H24 | 37.8° | 179.2° |
| C28 | C25 | C24 | H24A | 157.9° | 59.1° |
| C28 | C25 | C26 | H26 | 54.2° | 173.0° |
| C28 | C25 | C26 | H26A | 174.2° | 53.0° |
| C28 | C25 | C26 | H26B | 65.7° | 67.0° |
| C28 | C25 | C27 | H27 | 62.9° | 60.0° |
| C28 | C25 | C27 | H27A | 57.1° | 60.0° |
| C28 | C25 | C27 | H27B | 177.0° | 180.0° |
| C25 | C28 | H28 | H28A | 120.0° | 120.0° |
| C25 | C28 | H28 | H28B | 120.0° | 120.0° |
| C25 | C28 | H28A | H28B | 120.0° | 120.0° |
| HO1 | O1 | C7 | H7 | 29.4° | 180.0° |
| H2 | C2 | C3 | H3 | 5.0° | 0.1° |
| H10 | C10 | C11 | H11 | 1.1° | 0.1° |
| H11 | C11 | C12 | H12 | 0.6° | 0.0° |
| H12 | C12 | C13 | H13 | 1.3° | 0.0° |
| H15 | C15 | C16 | H16 | 66.1° | 180.0° |
| H15 | C15 | C16 | H16A | 173.9° | 60.0° |
| H15A | C15 | C16 | H16 | 53.9° | 60.0° |
| H15A | C15 | C16 | H16A | 66.1° | 180.0° |
| H18 | C18 | C19 | H19 | 161.6° | 174.8° |
| H18A | C18 | C19 | H19 | 41.6° | 54.5° |
| H19 | C19 | C20 | H20 | 177.5° | 178.6° |
| H19 | C19 | C20 | H20A | 57.5° | 61.4° |
| H20 | C20 | C21 | H21 | 14.2° | 61.4° |
| H20 | C20 | C21 | H21A | 134.2° | 178.6° |
| H20A | C20 | C21 | H21 | 105.8° | 58.7° |
| H20A | C20 | C21 | H21A | 14.2° | 61.4° |
| H21 | C21 | C22 | H22 | 164.1° | 65.7° |
| H21 | C21 | C22 | H22A | 44.1° | 54.6° |
| H21A | C21 | C22 | H22 | 44.1° | 54.3° |
| H21A | C21 | C22 | H22A | 75.9° | 174.7° |
| H26 | C26 | H26A | H26B | 119.9° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
