P8J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O11 | sing | 1.43Å | 1.43Å | |
| O7 | C10 | sing | 1.43Å | 1.43Å | |
| O11 | C12 | sing | 1.43Å | 1.45Å | |
| O8 | C12 | sing | 1.43Å | 1.46Å | |
| O8 | C11 | sing | 1.43Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | O9 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| O5 | C9 | sing | 1.43Å | 1.42Å | |
| C15 | O10 | sing | 1.43Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | O6 | sing | 1.43Å | 1.43Å | |
| C4 | O1 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C9 | C5 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| O2 | C5 | sing | 1.43Å | 1.45Å | |
| O2 | C6 | sing | 1.43Å | 1.45Å | |
| N2 | N3 | doub | 1.29Å | 1.22Å | Aromatic |
| N2 | N1 | sing | 1.29Å | 1.25Å | Aromatic |
| N3 | C1 | sing | 1.34Å | 1.33Å | Aromatic |
| O6 | C3 | sing | 1.43Å | 1.43Å | |
| O4 | C8 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.49Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | O3 | sing | 1.43Å | 1.43Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | Aromatic |
| C1 | C3 | sing | 1.51Å | 1.54Å | |
| C1 | C2 | doub | 1.35Å | 1.32Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| O9 | H18 | sing | 0.97Å | 0.95Å | |
| O7 | H19 | sing | 0.97Å | 0.95Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| O10 | H21 | sing | 0.97Å | 0.95Å | |
| O1 | H22 | sing | 0.97Å | 0.95Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| O3 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O11 | C12 | 113.6° | 114.0° |
| O11 | C16 | H14 | 109.5° | 109.5° |
| O11 | C16 | H15 | 109.5° | 109.5° |
| O11 | C16 | H16 | 109.5° | 109.5° |
| O7 | C10 | C11 | 110.4° | 109.5° |
| O7 | C10 | H9 | 109.3° | 109.5° |
| O7 | C10 | H10 | 109.2° | 109.5° |
| C10 | O7 | H19 | 109.5° | 114.0° |
| O11 | C12 | O8 | 113.2° | 109.5° |
| O11 | C12 | C13 | 108.8° | 109.5° |
| O11 | C12 | H12 | 108.2° | 109.5° |
| C12 | O8 | C11 | 112.2° | 114.1° |
| O8 | C12 | C13 | 110.9° | 109.4° |
| O8 | C12 | H12 | 108.1° | 109.5° |
| O8 | C11 | C10 | 118.5° | 109.5° |
| O8 | C11 | C15 | 109.9° | 109.4° |
| O8 | C11 | H11 | 106.6° | 109.5° |
| C10 | C11 | C15 | 109.3° | 109.5° |
| C11 | C10 | H9 | 109.2° | 109.5° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C10 | C11 | H11 | 105.8° | 109.5° |
| C12 | C13 | O9 | 109.2° | 109.5° |
| C12 | C13 | C14 | 110.1° | 109.1° |
| C13 | C12 | H12 | 107.4° | 109.5° |
| C12 | C13 | H17 | 109.3° | 109.5° |
| C11 | C15 | O10 | 109.8° | 109.5° |
| C11 | C15 | C14 | 108.0° | 109.2° |
| C15 | C11 | H11 | 106.0° | 109.5° |
| C11 | C15 | H20 | 109.2° | 109.5° |
| O9 | C13 | C14 | 107.9° | 109.5° |
| O9 | C13 | H17 | 110.7° | 109.6° |
| C13 | O9 | H18 | 109.5° | 114.0° |
| C13 | C14 | C15 | 110.4° | 109.1° |
| C13 | C14 | O6 | 108.2° | 109.5° |
| C13 | C14 | H13 | 108.4° | 109.6° |
| C14 | C13 | H17 | 109.5° | 109.6° |
| O5 | C9 | C5 | 110.2° | 109.5° |
| O5 | C9 | C8 | 108.9° | 109.5° |
| O5 | C9 | H23 | 110.9° | 109.6° |
| C9 | O5 | H24 | 109.5° | 114.0° |
| O10 | C15 | C14 | 109.9° | 109.5° |
| O10 | C15 | H20 | 110.5° | 109.5° |
| C15 | O10 | H21 | 109.5° | 114.0° |
| C15 | C14 | O6 | 112.1° | 109.6° |
| C15 | C14 | H13 | 108.3° | 109.6° |
| C14 | C15 | H20 | 109.4° | 109.6° |
| C14 | O6 | C3 | 113.2° | 114.0° |
| O6 | C14 | H13 | 109.5° | 109.5° |
| O1 | C4 | C5 | 108.5° | 109.5° |
| O1 | C4 | H4 | 109.7° | 109.5° |
| O1 | C4 | H5 | 109.7° | 109.5° |
| C4 | O1 | H22 | 109.5° | 114.0° |
| C4 | C5 | C9 | 110.7° | 109.5° |
| C4 | C5 | O2 | 109.2° | 109.5° |
| C5 | C4 | H4 | 109.7° | 109.4° |
| C5 | C4 | H5 | 109.7° | 109.5° |
| C4 | C5 | H6 | 108.4° | 109.5° |
| C5 | C9 | C8 | 107.9° | 109.1° |
| C9 | C5 | O2 | 110.8° | 109.4° |
| C9 | C5 | H6 | 108.3° | 109.5° |
| C5 | C9 | H23 | 109.2° | 109.5° |
| C9 | C8 | O4 | 110.8° | 109.5° |
| C9 | C8 | C7 | 107.0° | 109.0° |
| C8 | C9 | H23 | 109.7° | 109.5° |
| C9 | C8 | H25 | 110.1° | 109.5° |
| C5 | O2 | C6 | 109.2° | 114.1° |
| O2 | C5 | H6 | 109.3° | 109.5° |
| O2 | C6 | C7 | 108.7° | 109.4° |
| O2 | C6 | N1 | 111.9° | 109.5° |
| O2 | C6 | H7 | 110.0° | 109.5° |
| N3 | N2 | N1 | 111.4° | 110.2° |
| N2 | N3 | C1 | 107.6° | 108.9° |
| N2 | N1 | C6 | 121.8° | 125.9° |
| N2 | N1 | C2 | 109.4° | 108.3° |
| N3 | C1 | C3 | 125.1° | 126.8° |
| N3 | C1 | C2 | 108.0° | 106.5° |
| O6 | C3 | C1 | 116.2° | 109.4° |
| O6 | C3 | H2 | 107.7° | 109.5° |
| O6 | C3 | H3 | 107.7° | 109.5° |
| O4 | C8 | C7 | 107.8° | 109.6° |
| O4 | C8 | H25 | 110.9° | 109.6° |
| C8 | O4 | H26 | 109.5° | 114.0° |
| C8 | C7 | C6 | 109.0° | 109.2° |
| C8 | C7 | O3 | 105.8° | 109.5° |
| C8 | C7 | H8 | 110.9° | 109.5° |
| C7 | C8 | H25 | 110.1° | 109.5° |
| C6 | C7 | O3 | 108.4° | 109.5° |
| C7 | C6 | N1 | 107.1° | 109.5° |
| C7 | C6 | H7 | 109.2° | 109.5° |
| C6 | C7 | H8 | 110.7° | 109.5° |
| O3 | C7 | H8 | 111.9° | 109.6° |
| C7 | O3 | H27 | 109.5° | 114.0° |
| C6 | N1 | C2 | 128.7° | 125.9° |
| N1 | C6 | H7 | 109.8° | 109.5° |
| N1 | C2 | C1 | 103.4° | 106.2° |
| N1 | C2 | H1 | 128.3° | 126.9° |
| C3 | C1 | C2 | 126.9° | 126.8° |
| C1 | C3 | H2 | 107.8° | 109.4° |
| C1 | C3 | H3 | 107.7° | 109.5° |
| C1 | C2 | H1 | 128.3° | 126.9° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H16 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | O11 | C12 | O8 | 58.5° | 65.1° |
| C16 | O11 | C12 | C13 | 177.7° | 175.0° |
| C16 | O11 | C12 | H12 | 61.4° | 55.0° |
| O11 | C16 | H14 | H15 | 120.0° | 120.0° |
| O11 | C16 | H14 | H16 | 120.0° | 120.0° |
| O11 | C16 | H15 | H16 | 120.0° | 120.0° |
| O7 | C10 | C11 | O8 | 61.7° | 65.1° |
| O7 | C10 | C11 | H9 | 120.2° | 120.0° |
| O7 | C10 | C11 | H10 | 120.1° | 120.0° |
| O7 | C10 | C11 | C15 | 171.5° | 175.0° |
| O7 | C10 | H9 | H10 | 119.6° | 120.0° |
| O7 | C10 | C11 | H11 | 57.7° | 55.0° |
| O11 | C12 | O8 | C13 | 122.6° | 120.0° |
| O11 | C12 | O8 | H12 | 119.9° | 120.0° |
| O11 | C12 | O8 | C11 | 179.7° | 178.8° |
| O11 | C12 | C13 | H12 | 117.0° | 120.0° |
| O11 | C12 | C13 | O9 | 61.7° | 62.5° |
| O11 | C12 | C13 | C14 | 179.9° | 177.6° |
| C12 | O11 | C16 | H14 | 180.0° | 180.0° |
| C12 | O11 | C16 | H15 | 60.0° | 60.0° |
| C12 | O11 | C16 | H16 | 60.0° | 60.0° |
| O11 | C12 | C13 | H17 | 59.6° | 57.7° |
| C12 | O8 | C11 | C10 | 173.4° | 178.9° |
| O8 | C12 | C13 | H12 | 117.9° | 120.0° |
| C12 | O8 | C11 | C15 | 60.1° | 61.2° |
| O8 | C12 | C13 | O9 | 173.1° | 177.5° |
| O8 | C12 | C13 | C14 | 54.8° | 57.6° |
| C12 | O8 | C11 | H11 | 54.3° | 58.8° |
| O8 | C12 | C13 | H17 | 65.5° | 62.3° |
| O8 | C11 | C10 | C15 | 126.8° | 119.9° |
| O8 | C11 | C10 | H11 | 119.4° | 120.1° |
| C11 | O8 | C12 | C13 | 57.0° | 61.2° |
| O8 | C11 | C15 | H11 | 114.8° | 120.0° |
| O8 | C11 | C15 | O10 | 59.8° | 62.3° |
| O8 | C11 | C15 | C14 | 60.0° | 57.6° |
| O8 | C11 | C10 | H9 | 58.5° | 174.9° |
| O8 | C11 | C10 | H10 | 178.2° | 54.9° |
| C11 | O8 | C12 | H12 | 60.4° | 58.8° |
| O8 | C11 | C15 | H20 | 178.9° | 177.6° |
| C10 | C11 | C15 | H11 | 113.6° | 120.0° |
| C10 | C11 | C15 | O10 | 71.8° | 57.7° |
| C10 | C11 | C15 | C14 | 168.4° | 177.6° |
| C11 | C10 | H9 | H10 | 119.6° | 120.0° |
| C11 | C10 | O7 | H19 | 180.0° | 180.0° |
| C10 | C11 | C15 | H20 | 49.6° | 62.4° |
| C12 | C13 | O9 | C14 | 119.7° | 119.6° |
| C12 | C13 | O9 | H17 | 120.5° | 120.1° |
| C12 | C13 | C14 | H17 | 120.2° | 119.9° |
| C12 | C13 | C14 | C15 | 57.0° | 57.0° |
| C12 | C13 | C14 | O6 | 179.9° | 176.8° |
| C12 | C13 | C14 | H13 | 61.5° | 63.0° |
| C12 | C13 | O9 | H18 | 180.0° | 60.1° |
| C11 | C15 | C14 | C13 | 59.3° | 57.0° |
| C11 | C15 | O10 | C14 | 118.6° | 119.7° |
| C11 | C15 | O10 | H20 | 120.5° | 120.1° |
| C11 | C15 | C14 | H20 | 118.8° | 119.9° |
| C11 | C15 | C14 | O6 | 180.0° | 176.8° |
| C15 | C11 | C10 | H9 | 68.4° | 55.0° |
| C15 | C11 | C10 | H10 | 51.3° | 65.0° |
| C11 | C15 | C14 | H13 | 59.2° | 62.9° |
| C11 | C15 | O10 | H21 | 180.0° | 60.0° |
| O9 | C13 | C14 | H17 | 120.6° | 120.2° |
| O9 | C13 | C14 | C15 | 176.1° | 176.8° |
| O9 | C13 | C14 | O6 | 60.9° | 63.3° |
| O9 | C13 | C12 | H12 | 55.2° | 57.5° |
| O9 | C13 | C14 | H13 | 57.7° | 56.8° |
| C13 | C14 | C15 | O10 | 60.4° | 62.9° |
| C13 | C14 | C15 | O6 | 120.7° | 119.8° |
| C13 | C14 | C15 | H13 | 118.5° | 119.9° |
| C13 | C14 | O6 | H13 | 117.9° | 120.2° |
| C13 | C14 | O6 | C3 | 174.5° | 90.2° |
| C14 | C13 | C12 | H12 | 63.1° | 62.4° |
| C14 | C13 | O9 | H18 | 60.3° | 179.7° |
| C13 | C14 | C15 | H20 | 178.1° | 176.9° |
| O5 | C9 | C5 | C4 | 62.5° | 57.6° |
| O5 | C9 | C5 | C8 | 118.7° | 119.9° |
| O5 | C9 | C5 | H23 | 122.1° | 120.2° |
| O5 | C9 | C8 | H23 | 121.5° | 120.2° |
| O5 | C9 | C5 | O2 | 58.8° | 62.3° |
| O5 | C9 | C8 | O4 | 57.8° | 57.0° |
| O5 | C9 | C8 | C7 | 59.5° | 62.9° |
| O5 | C9 | C5 | H6 | 178.8° | 177.7° |
| O5 | C9 | C8 | H25 | 179.1° | 177.2° |
| O10 | C15 | C14 | H20 | 121.5° | 120.1° |
| O10 | C15 | C14 | O6 | 60.3° | 56.9° |
| O10 | C15 | C11 | H11 | 174.6° | 177.7° |
| O10 | C15 | C14 | H13 | 178.9° | 177.1° |
| C15 | C14 | O6 | H13 | 120.1° | 120.3° |
| C15 | C14 | O6 | C3 | 52.5° | 150.3° |
| C14 | C15 | C11 | H11 | 54.7° | 62.4° |
| C15 | C14 | C13 | H17 | 63.3° | 62.9° |
| C14 | C15 | O10 | H21 | 61.4° | 179.7° |
| C14 | O6 | C3 | C1 | 51.9° | 180.0° |
| C14 | O6 | C3 | H2 | 172.9° | 60.0° |
| C14 | O6 | C3 | H3 | 69.1° | 60.0° |
| O6 | C14 | C13 | H17 | 59.7° | 56.9° |
| O6 | C14 | C15 | H20 | 61.2° | 63.2° |
| O1 | C4 | C5 | H4 | 119.9° | 120.0° |
| O1 | C4 | C5 | H5 | 119.8° | 120.0° |
| O1 | C4 | C5 | C9 | 177.7° | 175.0° |
| O1 | C4 | C5 | O2 | 60.0° | 65.1° |
| O1 | C4 | H4 | H5 | 120.5° | 120.0° |
| O1 | C4 | C5 | H6 | 59.0° | 55.0° |
| C4 | C5 | C9 | O2 | 121.3° | 119.9° |
| C4 | C5 | C9 | H6 | 118.8° | 120.0° |
| C4 | C5 | C9 | C8 | 178.8° | 177.6° |
| C4 | C5 | O2 | H6 | 118.5° | 120.1° |
| C4 | C5 | O2 | C6 | 177.4° | 178.9° |
| C5 | C4 | H4 | H5 | 120.4° | 120.0° |
| C5 | C4 | O1 | H22 | 180.0° | 180.0° |
| C4 | C5 | C9 | H23 | 59.6° | 62.6° |
| C5 | C9 | C8 | H23 | 118.9° | 119.9° |
| C9 | C5 | O2 | H6 | 119.3° | 120.0° |
| C9 | C5 | O2 | C6 | 60.4° | 61.2° |
| C5 | C9 | C8 | O4 | 177.4° | 176.9° |
| C5 | C9 | C8 | C7 | 60.1° | 57.0° |
| C9 | C5 | C4 | H4 | 62.4° | 55.1° |
| C9 | C5 | C4 | H5 | 57.9° | 64.9° |
| C5 | C9 | O5 | H24 | 180.0° | 180.0° |
| C5 | C9 | C8 | H25 | 59.5° | 62.9° |
| C8 | C9 | C5 | O2 | 59.9° | 57.6° |
| C9 | C8 | O4 | C7 | 116.8° | 119.6° |
| C9 | C8 | O4 | H25 | 122.6° | 120.2° |
| C9 | C8 | C7 | H25 | 119.6° | 119.8° |
| C9 | C8 | C7 | C6 | 63.5° | 57.0° |
| C9 | C8 | C7 | O3 | 179.9° | 176.9° |
| C8 | C9 | C5 | H6 | 60.0° | 62.4° |
| C9 | C8 | C7 | H8 | 58.6° | 63.0° |
| C8 | C9 | O5 | H24 | 61.9° | 60.3° |
| C9 | C8 | O4 | H26 | 180.0° | 179.6° |
| C5 | O2 | C6 | C7 | 61.8° | 61.1° |
| C5 | O2 | C6 | N1 | 179.9° | 178.8° |
| O2 | C5 | C4 | H4 | 59.8° | 175.0° |
| O2 | C5 | C4 | H5 | 179.9° | 55.0° |
| C5 | O2 | C6 | H7 | 57.7° | 58.8° |
| O2 | C5 | C9 | H23 | 179.1° | 177.5° |
| O2 | C6 | N1 | N2 | 96.6° | 65.0° |
| O2 | C6 | C7 | C8 | 64.3° | 57.6° |
| O2 | C6 | C7 | N1 | 121.1° | 120.0° |
| O2 | C6 | C7 | H7 | 120.0° | 120.0° |
| O2 | C6 | C7 | O3 | 179.0° | 177.5° |
| O2 | C6 | N1 | H7 | 122.4° | 120.0° |
| O2 | C6 | N1 | C2 | 79.0° | 115.4° |
| C6 | O2 | C5 | H6 | 58.9° | 58.8° |
| O2 | C6 | C7 | H8 | 57.9° | 62.3° |
| N3 | N2 | N1 | C6 | 179.5° | 179.9° |
| N3 | N2 | N1 | C2 | 3.1° | 0.4° |
| N2 | N3 | C1 | C3 | 178.7° | 180.0° |
| N2 | N3 | C1 | C2 | 0.3° | 0.1° |
| N1 | N2 | N3 | C1 | 1.7° | 0.3° |
| N2 | N1 | C6 | C7 | 22.5° | 55.0° |
| N2 | N1 | C6 | C2 | 175.6° | 179.6° |
| N2 | N1 | C2 | C1 | 3.0° | 0.4° |
| N2 | N1 | C2 | H1 | 177.0° | 179.9° |
| N2 | N1 | C6 | H7 | 141.0° | 175.0° |
| N3 | C1 | C3 | O6 | 100.6° | 179.9° |
| N3 | C1 | C2 | N1 | 2.0° | 0.2° |
| N3 | C1 | C3 | C2 | 178.8° | 179.9° |
| N3 | C1 | C2 | H1 | 178.0° | 180.0° |
| N3 | C1 | C3 | H2 | 138.4° | 60.1° |
| N3 | C1 | C3 | H3 | 20.4° | 59.9° |
| O6 | C3 | C1 | H2 | 121.0° | 120.0° |
| O6 | C3 | C1 | H3 | 121.0° | 120.0° |
| O6 | C3 | C1 | C2 | 80.6° | 0.0° |
| O6 | C3 | H2 | H3 | 116.9° | 120.1° |
| C3 | O6 | C14 | H13 | 67.6° | 30.0° |
| O4 | C8 | C7 | H25 | 121.1° | 120.3° |
| O4 | C8 | C7 | C6 | 177.2° | 176.8° |
| O4 | C8 | C7 | O3 | 60.8° | 63.2° |
| O4 | C8 | C7 | H8 | 60.7° | 56.9° |
| O4 | C8 | C9 | H23 | 63.7° | 63.2° |
| C8 | C7 | C6 | O3 | 114.7° | 119.9° |
| C8 | C7 | C6 | H8 | 122.2° | 119.9° |
| C8 | C7 | O3 | H8 | 120.9° | 120.1° |
| C8 | C7 | C6 | N1 | 174.5° | 177.6° |
| C8 | C7 | C6 | H7 | 55.7° | 62.4° |
| C7 | C8 | C9 | H23 | 179.0° | 176.8° |
| C7 | C8 | O4 | H26 | 63.2° | 60.0° |
| C8 | C7 | O3 | H27 | 180.0° | 60.0° |
| C6 | C7 | O3 | H8 | 122.4° | 120.2° |
| C7 | C6 | N1 | H7 | 118.5° | 120.0° |
| C7 | C6 | N1 | C2 | 161.9° | 124.6° |
| C6 | C7 | C8 | H25 | 56.1° | 62.9° |
| C6 | C7 | O3 | H27 | 63.2° | 179.7° |
| O3 | C7 | C6 | N1 | 59.8° | 62.5° |
| O3 | C7 | C6 | H7 | 59.0° | 57.5° |
| O3 | C7 | C8 | H25 | 60.3° | 57.1° |
| C6 | N1 | C2 | C1 | 179.1° | 180.0° |
| C6 | N1 | C2 | H1 | 0.9° | 0.2° |
| N1 | C6 | C7 | H8 | 63.2° | 57.7° |
| N1 | C2 | C1 | C3 | 177.0° | 179.7° |
| N1 | C2 | C1 | H1 | 180.0° | 179.8° |
| C2 | N1 | C6 | H7 | 43.4° | 4.6° |
| C3 | C1 | C2 | H1 | 3.0° | 0.0° |
| C1 | C3 | H2 | H3 | 116.9° | 120.0° |
| C2 | C1 | C3 | H2 | 40.3° | 120.0° |
| C2 | C1 | C3 | H3 | 158.4° | 120.0° |
| H4 | C4 | C5 | H6 | 178.9° | 65.0° |
| H4 | C4 | O1 | H22 | 60.2° | 60.0° |
| H5 | C4 | C5 | H6 | 60.8° | 175.0° |
| H5 | C4 | O1 | H22 | 60.2° | 60.0° |
| H6 | C5 | C9 | H23 | 59.2° | 57.5° |
| H7 | C6 | C7 | H8 | 177.9° | 177.7° |
| H8 | C7 | C8 | H25 | 178.2° | 177.2° |
| H8 | C7 | O3 | H27 | 59.1° | 60.1° |
| H9 | C10 | C11 | H11 | 177.9° | 65.0° |
| H9 | C10 | O7 | H19 | 59.8° | 60.0° |
| H10 | C10 | C11 | H11 | 62.4° | 175.0° |
| H10 | C10 | O7 | H19 | 59.9° | 60.0° |
| H11 | C11 | C15 | H20 | 64.1° | 57.5° |
| H12 | C12 | C13 | H17 | 176.6° | 177.7° |
| H13 | C14 | C13 | H17 | 178.3° | 177.1° |
| H13 | C14 | C15 | H20 | 59.6° | 57.0° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H17 | C13 | O9 | H18 | 59.5° | 60.1° |
| H20 | C15 | O10 | H21 | 59.5° | 60.1° |
| H23 | C9 | O5 | H24 | 58.9° | 59.9° |
| H23 | C9 | C8 | H25 | 59.3° | 57.0° |
| H25 | C8 | O4 | H26 | 57.4° | 60.2° |
