PRD_000803
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C17 | doub | 1.21Å | 1.27Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | O4E | sing | 1.34Å | 1.35Å | |
| C1 | C12 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C12 | O2 | doub | 1.21Å | 1.19Å | |
| C12 | N2 | sing | 1.35Å | 1.46Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| N2 | C13 | sing | 1.47Å | 1.46Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | doub | 1.35Å | 1.51Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C3 | O12 | sing | 1.34Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.45Å | Aromatic |
| C11 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | sing | 1.39Å | 1.45Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.51Å | |
| C5 | N12 | doub | 1.31Å | 1.41Å | Aromatic |
| O12 | N12 | sing | 1.21Å | 1.47Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.50Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.43Å | Aromatic |
| C23 | C18 | sing | 1.39Å | 1.36Å | Aromatic |
| C14 | O1 | doub | 1.21Å | 1.19Å | |
| C14 | N1 | sing | 1.35Å | 1.45Å | |
| C9 | C18 | sing | 1.48Å | 1.53Å | |
| C9 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.44Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.49Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| O9 | C28 | doub | 1.21Å | 1.19Å | |
| N1 | C24 | sing | 1.46Å | 1.45Å | |
| C21 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C24 | sing | 1.51Å | 1.53Å | |
| C28 | N9 | sing | 1.35Å | 1.45Å | |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C20 | CL1 | sing | 1.74Å | 1.79Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| O8 | C27 | doub | 1.21Å | 1.41Å | |
| C27 | O8E | sing | 1.34Å | 1.19Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| N9 | H10 | sing | 0.97Å | 1.00Å | |
| N9 | H11 | sing | 0.97Å | 1.00Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| O4E | H28 | sing | 0.97Å | 0.95Å | |
| O8E | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C17 | C16 | 119.6° | 120.0° |
| O4 | C17 | O4E | 123.1° | 120.0° |
| C16 | C17 | O4E | 116.9° | 120.0° |
| C17 | C16 | C15 | 107.6° | 109.5° |
| C17 | C16 | H17 | 110.0° | 109.5° |
| C17 | C16 | H18 | 109.9° | 109.5° |
| C17 | O4E | H28 | 109.5° | 117.0° |
| C12 | C1 | C2 | 110.5° | 109.5° |
| C1 | C12 | O2 | 120.1° | 120.0° |
| C1 | C12 | N2 | 116.4° | 120.0° |
| C12 | C1 | H1 | 109.2° | 109.5° |
| C12 | C1 | H2 | 109.2° | 109.5° |
| C1 | C2 | C3 | 118.1° | 109.5° |
| C2 | C1 | H1 | 109.2° | 109.4° |
| C2 | C1 | H2 | 109.2° | 109.5° |
| C1 | C2 | H4 | 107.2° | 109.5° |
| C1 | C2 | H5 | 107.2° | 109.4° |
| C16 | C15 | C13 | 120.3° | 109.5° |
| C16 | C15 | H15 | 106.7° | 109.5° |
| C16 | C15 | H16 | 106.7° | 109.4° |
| C15 | C16 | H17 | 109.9° | 109.4° |
| C15 | C16 | H18 | 109.9° | 109.5° |
| O2 | C12 | N2 | 121.2° | 120.0° |
| C12 | N2 | C13 | 118.5° | 120.0° |
| C12 | N2 | H6 | 120.8° | 120.0° |
| C2 | C3 | C4 | 129.0° | 126.7° |
| C2 | C3 | O12 | 122.3° | 126.7° |
| C3 | C2 | H4 | 107.3° | 109.5° |
| C3 | C2 | H5 | 107.3° | 109.5° |
| N2 | C13 | C15 | 111.1° | 109.4° |
| N2 | C13 | C14 | 107.9° | 109.4° |
| C13 | N2 | H6 | 120.7° | 120.0° |
| N2 | C13 | H14 | 111.3° | 109.4° |
| C15 | C13 | C14 | 105.7° | 109.5° |
| C15 | C13 | H14 | 110.3° | 109.5° |
| C13 | C15 | H15 | 106.7° | 109.5° |
| C13 | C15 | H16 | 106.7° | 109.5° |
| C3 | C4 | C5 | 104.9° | 103.9° |
| C4 | C3 | O12 | 108.6° | 106.7° |
| C3 | C4 | H7 | 127.6° | 128.1° |
| C4 | C5 | C6 | 129.3° | 127.0° |
| C4 | C5 | N12 | 110.5° | 106.1° |
| C5 | C4 | H7 | 127.6° | 128.0° |
| C3 | O12 | N12 | 109.2° | 111.8° |
| C10 | C11 | C6 | 117.2° | 120.0° |
| C11 | C10 | C9 | 119.9° | 120.0° |
| C11 | C10 | H12 | 120.0° | 119.9° |
| C10 | C11 | H13 | 121.4° | 120.0° |
| C11 | C6 | C5 | 120.8° | 120.0° |
| C11 | C6 | C7 | 123.2° | 120.0° |
| C6 | C11 | H13 | 121.4° | 120.0° |
| C13 | C14 | O1 | 120.3° | 120.0° |
| C13 | C14 | N1 | 117.5° | 120.0° |
| C14 | C13 | H14 | 110.4° | 109.5° |
| C10 | C9 | C18 | 119.0° | 120.0° |
| C10 | C9 | C8 | 122.3° | 120.0° |
| C9 | C10 | H12 | 120.0° | 120.1° |
| C6 | C5 | N12 | 120.2° | 126.9° |
| C5 | C6 | C7 | 115.9° | 120.0° |
| C5 | N12 | O12 | 106.7° | 111.4° |
| C6 | C7 | C8 | 118.4° | 120.0° |
| C6 | C7 | H8 | 120.8° | 120.0° |
| C22 | C23 | C18 | 119.1° | 119.9° |
| C23 | C22 | C21 | 120.3° | 120.1° |
| C23 | C22 | H21 | 119.8° | 120.0° |
| C22 | C23 | H22 | 120.5° | 120.0° |
| C23 | C18 | C9 | 121.6° | 120.1° |
| C23 | C18 | C19 | 120.5° | 119.8° |
| C18 | C23 | H22 | 120.5° | 120.0° |
| O1 | C14 | N1 | 119.5° | 120.0° |
| C14 | N1 | C24 | 114.8° | 120.0° |
| C14 | N1 | H3 | 122.6° | 120.0° |
| C18 | C9 | C8 | 118.4° | 120.0° |
| C9 | C18 | C19 | 116.9° | 120.1° |
| C9 | C8 | C7 | 118.9° | 120.0° |
| C9 | C8 | H9 | 120.5° | 120.0° |
| C22 | C21 | C20 | 120.0° | 120.2° |
| C22 | C21 | H20 | 120.0° | 119.9° |
| C21 | C22 | H21 | 119.9° | 119.9° |
| C18 | C19 | C20 | 120.1° | 119.9° |
| C18 | C19 | H19 | 120.0° | 120.1° |
| C8 | C7 | H8 | 120.8° | 120.0° |
| C7 | C8 | H9 | 120.5° | 120.0° |
| O9 | C28 | C24 | 121.1° | 120.0° |
| O9 | C28 | N9 | 118.6° | 120.0° |
| N1 | C24 | C28 | 110.3° | 109.5° |
| N1 | C24 | C25 | 111.1° | 109.5° |
| C24 | N1 | H3 | 122.6° | 119.9° |
| N1 | C24 | H23 | 107.2° | 109.5° |
| C21 | C20 | C19 | 119.6° | 120.1° |
| C21 | C20 | CL1 | 122.0° | 120.0° |
| C20 | C21 | H20 | 120.0° | 119.9° |
| C24 | C28 | N9 | 119.6° | 120.0° |
| C28 | C24 | C25 | 115.5° | 109.5° |
| C28 | C24 | H23 | 106.2° | 109.4° |
| C28 | N9 | H10 | 120.0° | 120.0° |
| C28 | N9 | H11 | 120.0° | 120.1° |
| C19 | C20 | CL1 | 118.4° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.1° |
| C24 | C25 | C26 | 118.3° | 109.5° |
| C25 | C24 | H23 | 106.1° | 109.5° |
| C24 | C25 | H24 | 107.2° | 109.5° |
| C24 | C25 | H25 | 107.2° | 109.5° |
| C25 | C26 | C27 | 118.4° | 109.5° |
| C26 | C25 | H24 | 107.2° | 109.5° |
| C26 | C25 | H25 | 107.2° | 109.4° |
| C25 | C26 | H26 | 107.2° | 109.5° |
| C25 | C26 | H27 | 107.2° | 109.4° |
| C26 | C27 | O8 | 119.2° | 120.0° |
| C26 | C27 | O8E | 119.0° | 120.0° |
| C27 | C26 | H26 | 107.2° | 109.5° |
| C27 | C26 | H27 | 107.2° | 109.5° |
| O8 | C27 | O8E | 120.3° | 120.0° |
| C27 | O8E | H29 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H10 | N9 | H11 | 120.0° | 120.0° |
| H15 | C15 | H16 | 109.5° | 109.4° |
| H17 | C16 | H18 | 109.4° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H26 | C26 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C17 | C16 | O4E | 173.3° | 180.0° |
| O4 | C17 | C16 | C15 | 95.0° | 0.0° |
| O4 | C17 | C16 | H17 | 24.8° | 120.0° |
| O4 | C17 | C16 | H18 | 145.3° | 120.0° |
| O4 | C17 | O4E | H28 | 0.0° | 0.0° |
| C17 | C16 | C15 | H17 | 119.7° | 120.0° |
| C17 | C16 | C15 | H18 | 119.7° | 120.0° |
| C17 | C16 | C15 | C13 | 179.9° | 179.9° |
| C17 | C16 | C15 | H15 | 58.4° | 60.0° |
| C17 | C16 | C15 | H16 | 58.5° | 60.0° |
| C17 | C16 | H17 | H18 | 120.9° | 120.0° |
| C16 | C17 | O4E | H28 | 173.1° | 180.0° |
| O4E | C17 | C16 | C15 | 78.4° | 180.0° |
| O4E | C17 | C16 | H17 | 161.9° | 60.0° |
| O4E | C17 | C16 | H18 | 41.3° | 60.0° |
| C12 | C1 | C2 | H1 | 120.1° | 120.0° |
| C12 | C1 | C2 | H2 | 120.2° | 120.0° |
| C1 | C12 | O2 | N2 | 162.2° | 180.0° |
| C12 | C1 | C2 | C3 | 107.3° | 180.0° |
| C1 | C12 | N2 | C13 | 174.8° | 180.0° |
| C12 | C1 | H1 | H2 | 119.5° | 120.0° |
| C12 | C1 | C2 | H4 | 131.5° | 60.0° |
| C12 | C1 | C2 | H5 | 14.0° | 60.0° |
| C1 | C12 | N2 | H6 | 5.2° | 0.1° |
| C2 | C1 | C12 | O2 | 47.7° | 0.0° |
| C2 | C1 | C12 | N2 | 115.4° | 180.0° |
| C1 | C2 | C3 | H4 | 121.2° | 120.0° |
| C1 | C2 | C3 | H5 | 121.2° | 120.0° |
| C1 | C2 | C3 | C4 | 10.5° | 90.3° |
| C1 | C2 | C3 | O12 | 172.3° | 90.0° |
| C2 | C1 | H1 | H2 | 119.5° | 120.0° |
| C1 | C2 | H4 | H5 | 116.1° | 120.0° |
| C16 | C15 | C13 | N2 | 82.7° | 65.0° |
| C16 | C15 | C13 | H15 | 121.5° | 120.0° |
| C16 | C15 | C13 | H16 | 121.5° | 120.0° |
| C16 | C15 | C13 | C14 | 160.4° | 175.0° |
| C16 | C15 | C13 | H14 | 41.1° | 54.9° |
| C16 | C15 | H15 | H16 | 115.1° | 119.9° |
| C15 | C16 | H17 | H18 | 120.8° | 120.0° |
| O2 | C12 | N2 | C13 | 11.9° | 0.0° |
| O2 | C12 | C1 | H1 | 167.8° | 120.0° |
| O2 | C12 | C1 | H2 | 72.5° | 120.0° |
| O2 | C12 | N2 | H6 | 168.1° | 179.9° |
| C12 | N2 | C13 | H6 | 180.0° | 179.9° |
| C12 | N2 | C13 | C15 | 116.6° | 85.0° |
| C12 | N2 | C13 | C14 | 127.9° | 155.0° |
| N2 | C12 | C1 | H1 | 4.8° | 60.0° |
| N2 | C12 | C1 | H2 | 124.5° | 60.0° |
| C12 | N2 | C13 | H14 | 6.7° | 35.0° |
| C2 | C3 | C4 | O12 | 177.5° | 179.8° |
| C2 | C3 | C4 | C5 | 176.6° | 180.0° |
| C2 | C3 | O12 | N12 | 176.9° | 179.8° |
| C3 | C2 | C1 | H1 | 12.8° | 60.0° |
| C3 | C2 | C1 | H2 | 132.6° | 60.0° |
| C3 | C2 | H4 | H5 | 116.1° | 120.0° |
| C2 | C3 | C4 | H7 | 3.4° | 0.1° |
| N2 | C13 | C15 | C14 | 116.8° | 120.0° |
| N2 | C13 | C15 | H14 | 123.9° | 119.9° |
| N2 | C13 | C14 | H14 | 121.8° | 119.9° |
| N2 | C13 | C14 | O1 | 31.1° | 0.0° |
| N2 | C13 | C14 | N1 | 167.6° | 180.0° |
| N2 | C13 | C15 | H15 | 155.8° | 55.0° |
| N2 | C13 | C15 | H16 | 38.8° | 175.0° |
| C15 | C13 | C14 | H14 | 119.2° | 120.1° |
| C15 | C13 | C14 | O1 | 87.9° | 120.0° |
| C15 | C13 | C14 | N1 | 73.4° | 60.0° |
| C15 | C13 | N2 | H6 | 63.4° | 94.9° |
| C13 | C15 | H15 | H16 | 115.1° | 120.0° |
| C13 | C15 | C16 | H17 | 60.3° | 60.0° |
| C13 | C15 | C16 | H18 | 60.2° | 60.0° |
| C3 | C4 | C5 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 178.3° | 180.0° |
| C3 | C4 | C5 | N12 | 0.6° | 0.0° |
| C4 | C3 | O12 | N12 | 0.8° | 0.4° |
| C4 | C3 | C2 | H4 | 110.7° | 29.8° |
| C4 | C3 | C2 | H5 | 131.7° | 149.8° |
| C5 | C4 | C3 | O12 | 0.9° | 0.2° |
| C4 | C5 | C6 | C11 | 17.0° | 0.2° |
| C4 | C5 | C6 | N12 | 178.8° | 179.9° |
| C4 | C5 | N12 | O12 | 0.2° | 0.3° |
| C4 | C5 | C6 | C7 | 165.9° | 180.0° |
| C3 | O12 | N12 | C5 | 0.4° | 0.5° |
| O12 | C3 | C2 | H4 | 66.5° | 150.0° |
| O12 | C3 | C2 | H5 | 51.1° | 30.0° |
| O12 | C3 | C4 | H7 | 179.1° | 179.8° |
| C10 | C11 | C6 | H13 | 180.0° | 179.6° |
| C11 | C10 | C9 | H12 | 180.0° | 179.8° |
| C10 | C11 | C6 | C5 | 179.3° | 179.7° |
| C10 | C11 | C6 | C7 | 2.5° | 0.4° |
| C11 | C10 | C9 | C18 | 176.0° | 179.8° |
| C11 | C10 | C9 | C8 | 1.5° | 0.2° |
| C6 | C11 | C10 | C9 | 2.0° | 0.4° |
| C11 | C6 | C5 | C7 | 177.1° | 179.8° |
| C11 | C6 | C5 | N12 | 161.8° | 179.8° |
| C11 | C6 | C7 | C8 | 2.4° | 0.2° |
| C11 | C6 | C7 | H8 | 177.7° | 179.8° |
| C6 | C11 | C10 | H12 | 178.0° | 179.8° |
| C13 | C14 | O1 | N1 | 161.0° | 180.0° |
| C13 | C14 | N1 | C24 | 169.4° | 180.0° |
| C13 | C14 | N1 | H3 | 10.6° | 0.0° |
| C14 | C13 | N2 | H6 | 52.1° | 25.1° |
| C14 | C13 | C15 | H15 | 38.9° | 64.9° |
| C14 | C13 | C15 | H16 | 78.0° | 55.1° |
| C10 | C9 | C18 | C23 | 26.0° | 179.7° |
| C10 | C9 | C18 | C8 | 174.7° | 180.0° |
| C10 | C9 | C18 | C19 | 142.4° | 0.0° |
| C10 | C9 | C8 | C7 | 1.4° | 0.1° |
| C10 | C9 | C8 | H9 | 178.6° | 180.0° |
| C9 | C10 | C11 | H13 | 178.0° | 180.0° |
| C6 | C5 | N12 | O12 | 178.8° | 179.7° |
| C5 | C6 | C7 | C8 | 179.4° | 180.0° |
| C6 | C5 | C4 | H7 | 1.7° | 0.0° |
| C5 | C6 | C7 | H8 | 0.7° | 0.1° |
| C5 | C6 | C11 | H13 | 0.7° | 0.1° |
| N12 | C5 | C6 | C7 | 15.3° | 0.1° |
| N12 | C5 | C4 | H7 | 179.4° | 180.0° |
| C6 | C7 | C8 | C9 | 1.7° | 0.1° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C7 | C8 | H9 | 178.3° | 180.0° |
| C7 | C6 | C11 | H13 | 177.5° | 180.0° |
| C22 | C23 | C18 | H22 | 180.0° | 179.6° |
| C22 | C23 | C18 | C9 | 175.5° | 179.8° |
| C23 | C22 | C21 | H21 | 180.0° | 179.8° |
| C22 | C23 | C18 | C19 | 7.5° | 0.4° |
| C23 | C22 | C21 | C20 | 0.7° | 0.2° |
| C23 | C22 | C21 | H20 | 179.3° | 179.7° |
| C23 | C18 | C9 | C19 | 168.5° | 179.8° |
| C23 | C18 | C9 | C8 | 159.3° | 0.3° |
| C18 | C23 | C22 | C21 | 3.4° | 0.4° |
| C23 | C18 | C19 | C20 | 7.8° | 0.2° |
| C23 | C18 | C19 | H19 | 172.2° | 179.8° |
| C18 | C23 | C22 | H21 | 176.6° | 179.7° |
| O1 | C14 | N1 | C24 | 7.9° | 0.0° |
| O1 | C14 | N1 | H3 | 172.1° | 180.0° |
| O1 | C14 | C13 | H14 | 152.9° | 119.9° |
| C14 | N1 | C24 | H3 | 180.0° | 180.0° |
| C14 | N1 | C24 | C28 | 79.9° | 85.0° |
| C14 | N1 | C24 | C25 | 150.7° | 155.0° |
| N1 | C14 | C13 | H14 | 45.8° | 60.0° |
| C14 | N1 | C24 | H23 | 35.2° | 35.0° |
| C18 | C9 | C8 | C7 | 175.9° | 180.0° |
| C9 | C18 | C19 | C20 | 176.4° | 179.9° |
| C18 | C9 | C8 | H9 | 4.1° | 0.1° |
| C18 | C9 | C10 | H12 | 4.0° | 0.0° |
| C9 | C18 | C19 | H19 | 3.6° | 0.0° |
| C9 | C18 | C23 | H22 | 4.4° | 0.2° |
| C8 | C9 | C18 | C19 | 32.2° | 179.9° |
| C9 | C8 | C7 | H9 | 180.0° | 179.9° |
| C9 | C8 | C7 | H8 | 178.3° | 180.0° |
| C8 | C9 | C10 | H12 | 178.5° | 180.0° |
| C22 | C21 | C20 | H20 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.5° | 0.1° |
| C22 | C21 | C20 | CL1 | 178.5° | 180.0° |
| C21 | C22 | C23 | H22 | 176.6° | 180.0° |
| C18 | C19 | C20 | C21 | 3.5° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | CL1 | 177.5° | 180.0° |
| C19 | C18 | C23 | H22 | 172.5° | 180.0° |
| O9 | C28 | C24 | N1 | 11.5° | 0.1° |
| O9 | C28 | C24 | N9 | 170.1° | 180.0° |
| O9 | C28 | C24 | C25 | 115.5° | 120.0° |
| O9 | C28 | N9 | H10 | 0.0° | 179.9° |
| O9 | C28 | N9 | H11 | 180.0° | 0.0° |
| O9 | C28 | C24 | H23 | 127.2° | 120.0° |
| N1 | C24 | C28 | C25 | 127.0° | 120.0° |
| N1 | C24 | C28 | H23 | 115.8° | 120.0° |
| N1 | C24 | C28 | N9 | 158.6° | 180.0° |
| N1 | C24 | C25 | H23 | 116.1° | 120.0° |
| N1 | C24 | C25 | C26 | 102.0° | 65.0° |
| N1 | C24 | C25 | H24 | 136.8° | 55.0° |
| N1 | C24 | C25 | H25 | 19.3° | 175.0° |
| C21 | C20 | C19 | CL1 | 179.0° | 179.9° |
| C21 | C20 | C19 | H19 | 176.5° | 180.0° |
| C20 | C21 | C22 | H21 | 179.3° | 180.0° |
| C28 | C24 | C25 | H23 | 117.3° | 119.9° |
| C28 | C24 | C25 | C26 | 24.6° | 175.0° |
| C28 | C24 | N1 | H3 | 100.1° | 95.0° |
| C24 | C28 | N9 | H10 | 170.3° | 0.0° |
| C24 | C28 | N9 | H11 | 9.6° | 180.0° |
| C28 | C24 | C25 | H24 | 96.6° | 65.0° |
| C28 | C24 | C25 | H25 | 145.9° | 55.0° |
| N9 | C28 | C24 | C25 | 74.4° | 60.0° |
| C28 | N9 | H10 | H11 | 180.0° | 180.0° |
| N9 | C28 | C24 | H23 | 42.8° | 60.0° |
| C19 | C20 | C21 | H20 | 179.5° | 180.0° |
| C24 | C25 | C26 | H24 | 121.3° | 120.0° |
| C24 | C25 | C26 | H25 | 121.2° | 120.0° |
| C24 | C25 | C26 | C27 | 141.2° | 180.0° |
| C25 | C24 | N1 | H3 | 29.3° | 25.0° |
| C24 | C25 | H24 | H25 | 116.0° | 120.0° |
| C24 | C25 | C26 | H26 | 19.9° | 60.0° |
| C24 | C25 | C26 | H27 | 97.5° | 60.0° |
| CL1 | C20 | C19 | H19 | 2.5° | 0.0° |
| CL1 | C20 | C21 | H20 | 1.5° | 0.1° |
| C25 | C26 | C27 | H26 | 121.3° | 120.0° |
| C25 | C26 | C27 | H27 | 121.3° | 120.0° |
| C25 | C26 | C27 | O8 | 125.4° | 0.1° |
| C25 | C26 | C27 | O8E | 68.1° | 180.0° |
| C26 | C25 | C24 | H23 | 141.9° | 55.0° |
| C26 | C25 | H24 | H25 | 116.0° | 119.9° |
| C25 | C26 | H26 | H27 | 116.0° | 119.9° |
| C26 | C27 | O8 | O8E | 166.3° | 179.9° |
| C27 | C26 | C25 | H24 | 97.5° | 60.0° |
| C27 | C26 | C25 | H25 | 20.0° | 60.0° |
| C27 | C26 | H26 | H27 | 115.9° | 120.0° |
| C26 | C27 | O8E | H29 | 166.3° | 180.0° |
| O8 | C27 | C26 | H26 | 4.1° | 120.0° |
| O8 | C27 | C26 | H27 | 113.3° | 120.1° |
| O8 | C27 | O8E | H29 | 0.0° | 0.1° |
| O8E | C27 | C26 | H26 | 170.6° | 60.0° |
| O8E | C27 | C26 | H27 | 53.2° | 60.0° |
| H1 | C1 | C2 | H4 | 108.4° | 60.1° |
| H1 | C1 | C2 | H5 | 134.1° | 180.0° |
| H2 | C1 | C2 | H4 | 11.3° | 180.0° |
| H2 | C1 | C2 | H5 | 106.2° | 60.0° |
| H3 | N1 | C24 | H23 | 144.8° | 145.0° |
| H6 | N2 | C13 | H14 | 173.3° | 145.1° |
| H8 | C7 | C8 | H9 | 1.7° | 0.1° |
| H12 | C10 | C11 | H13 | 2.0° | 0.2° |
| H14 | C13 | C15 | H15 | 80.4° | 175.0° |
| H14 | C13 | C15 | H16 | 162.7° | 65.0° |
| H15 | C15 | C16 | H17 | 178.2° | 180.0° |
| H15 | C15 | C16 | H18 | 61.3° | 60.0° |
| H16 | C15 | C16 | H17 | 61.2° | 60.0° |
| H16 | C15 | C16 | H18 | 178.2° | 180.0° |
| H20 | C21 | C22 | H21 | 0.7° | 0.1° |
| H21 | C22 | C23 | H22 | 3.5° | 0.1° |
| H23 | C24 | C25 | H24 | 20.7° | 175.1° |
| H23 | C24 | C25 | H25 | 96.8° | 65.0° |
| H24 | C25 | C26 | H26 | 141.2° | 180.0° |
| H24 | C25 | C26 | H27 | 23.7° | 60.1° |
| H25 | C25 | C26 | H26 | 101.3° | 60.1° |
| H25 | C25 | C26 | H27 | 141.2° | 180.0° |
