9IQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C13 | doub | 1.21Å | 1.26Å | |
| O3 | C13 | sing | 1.34Å | 1.27Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | N2 | sing | 1.46Å | 1.44Å | |
| N2 | C11 | sing | 1.35Å | 1.33Å | |
| C11 | O1 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | sing | 1.47Å | 1.50Å | |
| C10 | N1 | doub | 1.34Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| N1 | C2 | sing | 1.31Å | 1.34Å | Aromatic |
| O4 | C9 | sing | 1.36Å | 1.34Å | |
| C9 | C8 | doub | 1.41Å | 1.44Å | Aromatic |
| C2 | O6 | sing | 1.36Å | 1.35Å | |
| C2 | C3 | doub | 1.42Å | 1.42Å | Aromatic |
| O6 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C29 | sing | 1.53Å | 1.50Å | |
| C8 | C3 | sing | 1.42Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C15 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | O5 | sing | 1.36Å | 1.39Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| O5 | C14 | sing | 1.36Å | 1.37Å | |
| C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C28 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | O29 | doub | 1.22Å | 1.23Å | |
| C28 | C20 | sing | 1.48Å | 1.49Å | |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C26 | sing | 1.51Å | 1.50Å | |
| C20 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C30 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C13 | O3 | 125.7° | 120.0° |
| O2 | C13 | C12 | 115.6° | 120.0° |
| O3 | C13 | C12 | 118.8° | 120.0° |
| C13 | O3 | H7 | 109.5° | 117.0° |
| C13 | C12 | N2 | 114.8° | 109.5° |
| C13 | C12 | H5 | 108.1° | 109.4° |
| C13 | C12 | H6 | 108.1° | 109.5° |
| C12 | N2 | C11 | 119.6° | 120.0° |
| C12 | N2 | H4 | 120.2° | 120.0° |
| N2 | C12 | H5 | 108.1° | 109.5° |
| N2 | C12 | H6 | 108.1° | 109.5° |
| N2 | C11 | O1 | 121.7° | 120.0° |
| N2 | C11 | C10 | 117.6° | 120.0° |
| C11 | N2 | H4 | 120.2° | 120.0° |
| O1 | C11 | C10 | 120.5° | 120.0° |
| C11 | C10 | N1 | 115.6° | 119.3° |
| C11 | C10 | C9 | 123.5° | 119.3° |
| N1 | C10 | C9 | 120.9° | 121.4° |
| C10 | N1 | C2 | 121.1° | 122.6° |
| C10 | C9 | O4 | 119.3° | 120.7° |
| C10 | C9 | C8 | 119.3° | 118.5° |
| N1 | C2 | O6 | 123.0° | 119.8° |
| N1 | C2 | C3 | 122.0° | 120.3° |
| O4 | C9 | C8 | 121.4° | 120.8° |
| C9 | O4 | H8 | 109.5° | 114.0° |
| C9 | C8 | C3 | 117.4° | 118.3° |
| C9 | C8 | C7 | 124.4° | 121.9° |
| O6 | C2 | C3 | 115.0° | 119.9° |
| C2 | O6 | C1 | 116.5° | 117.0° |
| C2 | C3 | C8 | 119.2° | 118.9° |
| C2 | C3 | C4 | 120.8° | 121.7° |
| O6 | C1 | C29 | 108.2° | 109.5° |
| O6 | C1 | H11 | 109.8° | 109.5° |
| O6 | C1 | H12 | 109.8° | 109.5° |
| C29 | C1 | H11 | 109.8° | 109.5° |
| C29 | C1 | H12 | 109.8° | 109.5° |
| C1 | C29 | H22 | 109.5° | 109.5° |
| C1 | C29 | H23 | 109.5° | 109.5° |
| C1 | C29 | H24 | 109.5° | 109.5° |
| C3 | C8 | C7 | 118.1° | 119.8° |
| C8 | C3 | C4 | 120.0° | 119.4° |
| C8 | C7 | C6 | 120.8° | 119.7° |
| C8 | C7 | H3 | 119.6° | 120.1° |
| C3 | C4 | C5 | 119.7° | 119.5° |
| C3 | C4 | H1 | 120.1° | 120.3° |
| C27 | C15 | C16 | 120.8° | 119.9° |
| C27 | C15 | C14 | 122.3° | 120.0° |
| C15 | C27 | H19 | 109.5° | 109.5° |
| C15 | C27 | H20 | 109.5° | 109.5° |
| C15 | C27 | H21 | 109.5° | 109.5° |
| C7 | C6 | C5 | 119.4° | 120.8° |
| C7 | C6 | H2 | 120.3° | 119.6° |
| C6 | C7 | H3 | 119.6° | 120.1° |
| C4 | C5 | C6 | 121.9° | 120.7° |
| C4 | C5 | O5 | 110.6° | 119.7° |
| C5 | C4 | H1 | 120.1° | 120.2° |
| C6 | C5 | O5 | 127.3° | 119.6° |
| C5 | C6 | H2 | 120.3° | 119.6° |
| C5 | O5 | C14 | 133.8° | 118.0° |
| C16 | C15 | C14 | 117.0° | 120.1° |
| C15 | C16 | C17 | 120.8° | 119.9° |
| C15 | C16 | H9 | 119.6° | 120.1° |
| C15 | C14 | O5 | 119.2° | 119.9° |
| C15 | C14 | C19 | 123.7° | 120.1° |
| C16 | C17 | C28 | 120.4° | 120.1° |
| C16 | C17 | C18 | 120.2° | 119.8° |
| C17 | C16 | H9 | 119.6° | 120.1° |
| O5 | C14 | C19 | 116.7° | 120.0° |
| C14 | C19 | C18 | 117.7° | 120.1° |
| C14 | C19 | C26 | 121.3° | 119.9° |
| C31 | C22 | C21 | 119.4° | 119.9° |
| C31 | C22 | C23 | 122.3° | 119.9° |
| C22 | C31 | H28 | 109.5° | 109.4° |
| C22 | C31 | H29 | 109.5° | 109.5° |
| C22 | C31 | H30 | 109.4° | 109.4° |
| C22 | C21 | C20 | 121.1° | 119.8° |
| C21 | C22 | C23 | 118.2° | 120.2° |
| C22 | C21 | H13 | 119.5° | 120.1° |
| C21 | C20 | C28 | 117.0° | 120.2° |
| C21 | C20 | C25 | 119.4° | 119.7° |
| C20 | C21 | H13 | 119.5° | 120.1° |
| C28 | C17 | C18 | 119.1° | 120.1° |
| C17 | C28 | O29 | 121.6° | 119.9° |
| C17 | C28 | C20 | 116.0° | 120.0° |
| C17 | C18 | C19 | 120.3° | 119.9° |
| C17 | C18 | H10 | 119.8° | 120.0° |
| C22 | C23 | C24 | 122.3° | 120.3° |
| C22 | C23 | H14 | 118.9° | 119.8° |
| O29 | C28 | C20 | 122.5° | 120.0° |
| C28 | C20 | C25 | 123.5° | 120.2° |
| C18 | C19 | C26 | 120.9° | 120.0° |
| C19 | C18 | H10 | 119.8° | 120.1° |
| C19 | C26 | H16 | 109.5° | 109.4° |
| C19 | C26 | H17 | 109.5° | 109.5° |
| C19 | C26 | H18 | 109.5° | 109.5° |
| C20 | C25 | C24 | 120.8° | 119.9° |
| C20 | C25 | H15 | 119.6° | 120.0° |
| C23 | C24 | C25 | 118.1° | 120.2° |
| C23 | C24 | C30 | 121.0° | 119.9° |
| C24 | C23 | H14 | 118.8° | 119.9° |
| C25 | C24 | C30 | 120.8° | 119.9° |
| C24 | C25 | H15 | 119.6° | 120.1° |
| C24 | C30 | H25 | 109.5° | 109.5° |
| C24 | C30 | H26 | 109.5° | 109.5° |
| C24 | C30 | H27 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H16 | C26 | H17 | 109.5° | 109.5° |
| H16 | C26 | H18 | 109.5° | 109.4° |
| H17 | C26 | H18 | 109.4° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.4° |
| H19 | C27 | H21 | 109.4° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.4° |
| H22 | C29 | H23 | 109.5° | 109.4° |
| H22 | C29 | H24 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.4° |
| H25 | C30 | H27 | 109.4° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.4° |
| H28 | C31 | H29 | 109.4° | 109.5° |
| H28 | C31 | H30 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C13 | O3 | C12 | 179.9° | 179.9° |
| O2 | C13 | C12 | N2 | 145.5° | 0.1° |
| O2 | C13 | C12 | H5 | 93.7° | 120.1° |
| O2 | C13 | C12 | H6 | 24.7° | 120.0° |
| O2 | C13 | O3 | H7 | 0.0° | 0.1° |
| O3 | C13 | C12 | N2 | 34.4° | 180.0° |
| O3 | C13 | C12 | H5 | 86.4° | 60.0° |
| O3 | C13 | C12 | H6 | 155.1° | 59.9° |
| C13 | C12 | N2 | H5 | 120.8° | 120.0° |
| C13 | C12 | N2 | H6 | 120.8° | 120.0° |
| C13 | C12 | N2 | C11 | 167.7° | 180.0° |
| C13 | C12 | N2 | H4 | 12.3° | 0.0° |
| C13 | C12 | H5 | H6 | 117.6° | 119.9° |
| C12 | C13 | O3 | H7 | 179.9° | 180.0° |
| C12 | N2 | C11 | H4 | 180.0° | 180.0° |
| C12 | N2 | C11 | O1 | 5.1° | 0.0° |
| C12 | N2 | C11 | C10 | 169.6° | 180.0° |
| N2 | C12 | H5 | H6 | 117.6° | 120.0° |
| N2 | C11 | O1 | C10 | 174.5° | 180.0° |
| N2 | C11 | C10 | N1 | 94.0° | 0.0° |
| N2 | C11 | C10 | C9 | 88.5° | 179.5° |
| C11 | N2 | C12 | H5 | 71.6° | 60.0° |
| C11 | N2 | C12 | H6 | 46.9° | 60.0° |
| O1 | C11 | C10 | N1 | 80.8° | 180.0° |
| O1 | C11 | C10 | C9 | 96.8° | 0.5° |
| O1 | C11 | N2 | H4 | 174.9° | 180.0° |
| C11 | C10 | N1 | C9 | 177.6° | 179.4° |
| C11 | C10 | N1 | C2 | 178.5° | 179.9° |
| C11 | C10 | C9 | O4 | 3.3° | 0.3° |
| C11 | C10 | C9 | C8 | 177.4° | 179.7° |
| C10 | C11 | N2 | H4 | 10.4° | 0.0° |
| N1 | C10 | C9 | O4 | 179.3° | 179.7° |
| N1 | C10 | C9 | C8 | 0.0° | 0.3° |
| C10 | N1 | C2 | O6 | 179.6° | 179.8° |
| C10 | N1 | C2 | C3 | 1.8° | 0.6° |
| C9 | C10 | N1 | C2 | 0.9° | 0.6° |
| C10 | C9 | O4 | C8 | 179.3° | 179.9° |
| C10 | C9 | C8 | C3 | 0.2° | 0.0° |
| C10 | C9 | C8 | C7 | 179.9° | 180.0° |
| C10 | C9 | O4 | H8 | 180.0° | 90.1° |
| N1 | C2 | O6 | C3 | 178.7° | 179.6° |
| N1 | C2 | O6 | C1 | 56.2° | 0.4° |
| N1 | C2 | C3 | C8 | 1.6° | 0.3° |
| N1 | C2 | C3 | C4 | 179.3° | 179.7° |
| O4 | C9 | C8 | C3 | 179.2° | 180.0° |
| O4 | C9 | C8 | C7 | 0.6° | 0.0° |
| C9 | C8 | C3 | C2 | 0.6° | 0.0° |
| C9 | C8 | C3 | C7 | 179.8° | 180.0° |
| C9 | C8 | C3 | C4 | 179.7° | 180.0° |
| C9 | C8 | C7 | C6 | 179.2° | 180.0° |
| C9 | C8 | C7 | H3 | 0.8° | 0.1° |
| C8 | C9 | O4 | H8 | 0.7° | 90.0° |
| C2 | O6 | C1 | C29 | 74.6° | 179.9° |
| O6 | C2 | C3 | C8 | 179.7° | 179.9° |
| O6 | C2 | C3 | C4 | 0.6° | 0.1° |
| C2 | O6 | C1 | H11 | 165.6° | 59.9° |
| C2 | O6 | C1 | H12 | 45.2° | 60.0° |
| C3 | C2 | O6 | C1 | 122.5° | 180.0° |
| C2 | C3 | C8 | C4 | 179.1° | 180.0° |
| C2 | C3 | C8 | C7 | 179.2° | 180.0° |
| C2 | C3 | C4 | C5 | 178.8° | 180.0° |
| C2 | C3 | C4 | H1 | 1.2° | 0.1° |
| O6 | C1 | C29 | H11 | 119.8° | 120.0° |
| O6 | C1 | C29 | H12 | 119.8° | 120.0° |
| O6 | C1 | H11 | H12 | 120.6° | 120.0° |
| O6 | C1 | C29 | H22 | 180.0° | 60.0° |
| O6 | C1 | C29 | H23 | 60.0° | 180.0° |
| O6 | C1 | C29 | H24 | 60.0° | 60.0° |
| C29 | C1 | H11 | H12 | 120.6° | 120.0° |
| C1 | C29 | H22 | H23 | 120.0° | 120.0° |
| C1 | C29 | H22 | H24 | 120.0° | 120.0° |
| C1 | C29 | H23 | H24 | 120.0° | 120.0° |
| C3 | C8 | C7 | C6 | 1.1° | 0.0° |
| C8 | C3 | C4 | C5 | 0.3° | 0.1° |
| C8 | C3 | C4 | H1 | 179.8° | 179.9° |
| C3 | C8 | C7 | H3 | 178.9° | 179.9° |
| C7 | C8 | C3 | C4 | 0.1° | 0.0° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 2.5° | 0.1° |
| C8 | C7 | C6 | H2 | 177.5° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.8° | 0.1° |
| C3 | C4 | C5 | O5 | 176.6° | 180.0° |
| C27 | C15 | C16 | C14 | 178.8° | 180.0° |
| C27 | C15 | C16 | C17 | 179.5° | 180.0° |
| C27 | C15 | C14 | O5 | 4.0° | 0.0° |
| C27 | C15 | C14 | C19 | 176.7° | 179.7° |
| C27 | C15 | C16 | H9 | 0.4° | 0.1° |
| C15 | C27 | H19 | H20 | 120.0° | 120.0° |
| C15 | C27 | H19 | H21 | 120.0° | 120.1° |
| C15 | C27 | H20 | H21 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 2.9° | 0.1° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | O5 | 176.9° | 180.0° |
| C4 | C5 | C6 | O5 | 173.9° | 179.9° |
| C4 | C5 | O5 | C14 | 137.7° | 180.0° |
| C4 | C5 | C6 | H2 | 177.1° | 180.0° |
| C6 | C5 | O5 | C14 | 47.8° | 0.1° |
| C6 | C5 | C4 | H1 | 178.2° | 179.9° |
| C5 | C6 | C7 | H3 | 177.5° | 179.9° |
| C5 | O5 | C14 | C15 | 67.5° | 89.8° |
| C5 | O5 | C14 | C19 | 119.2° | 89.9° |
| O5 | C5 | C4 | H1 | 3.4° | 0.1° |
| O5 | C5 | C6 | H2 | 3.2° | 0.0° |
| C15 | C16 | C17 | H9 | 180.0° | 179.9° |
| C16 | C15 | C14 | O5 | 177.2° | 180.0° |
| C16 | C15 | C14 | C19 | 4.5° | 0.2° |
| C15 | C16 | C17 | C28 | 176.7° | 179.9° |
| C15 | C16 | C17 | C18 | 3.0° | 0.0° |
| C16 | C15 | C27 | H19 | 89.4° | 90.1° |
| C16 | C15 | C27 | H20 | 150.6° | 150.0° |
| C16 | C15 | C27 | H21 | 30.6° | 30.0° |
| C14 | C15 | C16 | C17 | 0.7° | 0.0° |
| C15 | C14 | O5 | C19 | 173.3° | 179.7° |
| C15 | C14 | C19 | C18 | 4.3° | 0.5° |
| C15 | C14 | C19 | C26 | 176.4° | 179.7° |
| C14 | C15 | C16 | H9 | 179.3° | 179.9° |
| C14 | C15 | C27 | H19 | 89.4° | 90.0° |
| C14 | C15 | C27 | H20 | 30.6° | 30.0° |
| C14 | C15 | C27 | H21 | 150.6° | 150.0° |
| C16 | C17 | C28 | C18 | 173.8° | 180.0° |
| C16 | C17 | C28 | O29 | 93.8° | 7.6° |
| C16 | C17 | C28 | C20 | 85.8° | 172.5° |
| C16 | C17 | C18 | C19 | 3.2° | 0.2° |
| C16 | C17 | C18 | H10 | 176.8° | 180.0° |
| O5 | C14 | C19 | C18 | 177.2° | 179.8° |
| O5 | C14 | C19 | C26 | 3.5° | 0.0° |
| C14 | C19 | C18 | C17 | 0.3° | 0.5° |
| C14 | C19 | C18 | C26 | 179.3° | 179.8° |
| C14 | C19 | C18 | H10 | 179.7° | 179.7° |
| C14 | C19 | C26 | H16 | 89.6° | 90.0° |
| C14 | C19 | C26 | H17 | 150.4° | 150.0° |
| C14 | C19 | C26 | H18 | 30.4° | 30.0° |
| C31 | C22 | C21 | C23 | 179.2° | 180.0° |
| C31 | C22 | C21 | C20 | 179.8° | 180.0° |
| C31 | C22 | C23 | C24 | 179.2° | 180.0° |
| C31 | C22 | C21 | H13 | 0.2° | 0.0° |
| C31 | C22 | C23 | H14 | 0.8° | 0.0° |
| C22 | C31 | H28 | H29 | 120.0° | 120.0° |
| C22 | C31 | H28 | H30 | 120.0° | 120.0° |
| C22 | C31 | H29 | H30 | 120.0° | 120.0° |
| C22 | C21 | C20 | H13 | 180.0° | 180.0° |
| C22 | C21 | C20 | C28 | 178.3° | 179.7° |
| C22 | C21 | C20 | C25 | 2.0° | 0.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H14 | 180.0° | 180.0° |
| C21 | C22 | C31 | H28 | 89.6° | 90.0° |
| C21 | C22 | C31 | H29 | 150.4° | 150.0° |
| C21 | C22 | C31 | H30 | 30.4° | 30.0° |
| C21 | C20 | C28 | C17 | 37.2° | 34.3° |
| C20 | C21 | C22 | C23 | 1.0° | 0.0° |
| C21 | C20 | C28 | O29 | 142.4° | 145.8° |
| C21 | C20 | C28 | C25 | 176.2° | 179.7° |
| C21 | C20 | C25 | C24 | 2.0° | 0.0° |
| C21 | C20 | C25 | H15 | 177.9° | 180.0° |
| C17 | C28 | O29 | C20 | 179.6° | 179.9° |
| C28 | C17 | C18 | C19 | 177.0° | 179.8° |
| C17 | C28 | C20 | C25 | 139.0° | 146.0° |
| C28 | C17 | C16 | H9 | 3.3° | 0.0° |
| C28 | C17 | C18 | H10 | 3.0° | 0.0° |
| C18 | C17 | C28 | O29 | 92.4° | 172.4° |
| C18 | C17 | C28 | C20 | 88.0° | 7.5° |
| C17 | C18 | C19 | H10 | 180.0° | 179.8° |
| C17 | C18 | C19 | C26 | 179.6° | 179.7° |
| C18 | C17 | C16 | H9 | 177.0° | 179.9° |
| C22 | C23 | C24 | H14 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | C30 | 179.7° | 179.9° |
| C23 | C22 | C21 | H13 | 179.0° | 180.0° |
| C23 | C22 | C31 | H28 | 89.5° | 90.0° |
| C23 | C22 | C31 | H29 | 30.4° | 30.0° |
| C23 | C22 | C31 | H30 | 150.4° | 150.0° |
| O29 | C28 | C20 | C25 | 41.4° | 34.0° |
| C28 | C20 | C25 | C24 | 178.2° | 179.7° |
| C28 | C20 | C21 | H13 | 1.7° | 0.3° |
| C28 | C20 | C25 | H15 | 1.8° | 0.2° |
| C18 | C19 | C26 | H16 | 89.6° | 89.8° |
| C18 | C19 | C26 | H17 | 30.4° | 30.2° |
| C18 | C19 | C26 | H18 | 150.3° | 150.3° |
| C26 | C19 | C18 | H10 | 0.4° | 0.1° |
| C19 | C26 | H16 | H17 | 120.0° | 120.0° |
| C19 | C26 | H16 | H18 | 120.0° | 120.0° |
| C19 | C26 | H17 | H18 | 120.0° | 120.0° |
| C20 | C25 | C24 | C23 | 1.1° | 0.0° |
| C20 | C25 | C24 | H15 | 180.0° | 179.9° |
| C20 | C25 | C24 | C30 | 178.7° | 180.0° |
| C25 | C20 | C21 | H13 | 178.0° | 180.0° |
| C23 | C24 | C25 | C30 | 179.8° | 179.9° |
| C23 | C24 | C25 | H15 | 178.9° | 180.0° |
| C23 | C24 | C30 | H25 | 90.1° | 90.0° |
| C23 | C24 | C30 | H26 | 149.9° | 150.0° |
| C23 | C24 | C30 | H27 | 29.9° | 30.0° |
| C25 | C24 | C23 | H14 | 179.9° | 180.0° |
| C25 | C24 | C30 | H25 | 90.1° | 90.0° |
| C25 | C24 | C30 | H26 | 29.9° | 30.0° |
| C25 | C24 | C30 | H27 | 149.9° | 149.9° |
| C30 | C24 | C23 | H14 | 0.3° | 0.0° |
| C30 | C24 | C25 | H15 | 1.3° | 0.1° |
| C24 | C30 | H25 | H26 | 120.0° | 120.1° |
| C24 | C30 | H25 | H27 | 120.0° | 120.0° |
| C24 | C30 | H26 | H27 | 120.0° | 120.0° |
| H2 | C6 | C7 | H3 | 2.5° | 0.1° |
| H4 | N2 | C12 | H5 | 108.4° | 120.0° |
| H4 | N2 | C12 | H6 | 133.1° | 120.0° |
| H11 | C1 | C29 | H22 | 60.2° | 60.0° |
| H11 | C1 | C29 | H23 | 179.8° | 60.0° |
| H11 | C1 | C29 | H24 | 59.8° | 179.9° |
| H12 | C1 | C29 | H22 | 60.2° | 180.0° |
| H12 | C1 | C29 | H23 | 59.8° | 60.0° |
| H12 | C1 | C29 | H24 | 179.8° | 60.0° |
| H16 | C26 | H17 | H18 | 120.0° | 120.0° |
| H19 | C27 | H20 | H21 | 120.0° | 119.9° |
| H22 | C29 | H23 | H24 | 120.0° | 120.0° |
| H25 | C30 | H26 | H27 | 120.0° | 120.0° |
| H28 | C31 | H29 | H30 | 120.0° | 120.1° |
