941
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.47Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | O2 | sing | 1.36Å | 1.40Å | |
| C3 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C9 | N1 | sing | 1.47Å | 1.46Å | |
| C9 | C11 | sing | 1.51Å | 1.56Å | |
| C9 | C7 | sing | 1.53Å | 1.58Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| N1 | C10 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C10 | O4 | doub | 1.22Å | 1.20Å | |
| C10 | O9 | sing | 1.35Å | 1.35Å | |
| C11 | N2 | sing | 1.35Å | 1.34Å | |
| C11 | O8 | doub | 1.21Å | 1.25Å | |
| N2 | C12 | sing | 1.46Å | 1.48Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | O1 | sing | 1.43Å | 1.43Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| O1 | C32 | sing | 1.36Å | 1.43Å | |
| O9 | C41 | sing | 1.45Å | 1.51Å | |
| C8 | C16 | sing | 1.51Å | 1.55Å | |
| C8 | C24 | sing | 1.51Å | 1.54Å | |
| C8 | O2 | sing | 1.43Å | 1.44Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C16 | O3 | doub | 1.21Å | 1.19Å | |
| C16 | O5 | sing | 1.34Å | 1.36Å | |
| C24 | O6 | sing | 1.34Å | 1.19Å | |
| C24 | O7 | doub | 1.21Å | 1.36Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C32 | C33 | doub | 1.39Å | 1.47Å | Aromatic |
| C32 | C37 | sing | 1.40Å | 1.46Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.43Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.43Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.38Å | 1.43Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.40Å | 1.45Å | Aromatic |
| C36 | O13 | sing | 1.36Å | 1.37Å | |
| C37 | C38 | sing | 1.47Å | 1.49Å | |
| C38 | O11 | doub | 1.22Å | 1.22Å | |
| C38 | O12 | sing | 1.35Å | 1.35Å | |
| O12 | C39 | sing | 1.45Å | 1.46Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C41 | C42 | sing | 1.53Å | 1.57Å | |
| C41 | C43 | sing | 1.53Å | 1.55Å | |
| C41 | C44 | sing | 1.53Å | 1.56Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å | |
| C43 | H431 | sing | 1.09Å | 1.12Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C43 | H433 | sing | 1.09Å | 1.12Å | |
| C44 | H441 | sing | 1.09Å | 1.11Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 119.9° |
| C2 | C1 | H1 | 121.8° | 120.0° |
| C1 | C2 | C3 | 118.4° | 119.9° |
| C1 | C2 | O2 | 129.4° | 120.0° |
| C6 | C1 | H1 | 118.3° | 120.0° |
| C1 | C6 | C5 | 120.7° | 120.1° |
| C1 | C6 | H6 | 118.9° | 120.0° |
| C3 | C2 | O2 | 112.2° | 120.1° |
| C2 | C3 | C4 | 121.4° | 119.9° |
| C2 | C3 | H3 | 119.0° | 120.1° |
| C2 | O2 | C8 | 124.1° | 106.8° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.1° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C4 | C5 | C6 | 119.1° | 120.1° |
| C4 | C5 | C7 | 119.7° | 120.0° |
| C6 | C5 | C7 | 121.2° | 119.9° |
| C5 | C6 | H6 | 120.4° | 119.9° |
| C5 | C7 | C9 | 112.2° | 109.5° |
| C5 | C7 | H71 | 111.2° | 109.5° |
| C5 | C7 | H72 | 111.2° | 109.5° |
| N1 | C9 | C11 | 117.1° | 109.5° |
| N1 | C9 | C7 | 107.6° | 109.5° |
| N1 | C9 | H9 | 105.9° | 109.4° |
| C9 | N1 | C10 | 128.8° | 120.0° |
| C9 | N1 | HN1 | 120.7° | 120.0° |
| C11 | C9 | C7 | 110.7° | 109.5° |
| C11 | C9 | H9 | 102.5° | 109.5° |
| C9 | C11 | N2 | 114.8° | 120.0° |
| C9 | C11 | O8 | 120.0° | 120.0° |
| C7 | C9 | H9 | 113.0° | 109.5° |
| C9 | C7 | H71 | 111.2° | 109.5° |
| C9 | C7 | H72 | 111.2° | 109.5° |
| C10 | N1 | HN1 | 110.5° | 120.0° |
| N1 | C10 | O4 | 120.1° | 120.0° |
| N1 | C10 | O9 | 116.6° | 120.0° |
| O4 | C10 | O9 | 123.3° | 120.0° |
| C10 | O9 | C41 | 126.4° | 120.0° |
| N2 | C11 | O8 | 125.1° | 120.0° |
| C11 | N2 | C12 | 124.7° | 120.0° |
| C11 | N2 | HN2 | 112.2° | 120.0° |
| C12 | N2 | HN2 | 123.1° | 120.1° |
| N2 | C12 | C13 | 107.5° | 109.5° |
| N2 | C12 | H121 | 113.0° | 109.4° |
| N2 | C12 | H122 | 113.0° | 109.5° |
| C13 | C12 | H121 | 112.9° | 109.5° |
| C13 | C12 | H122 | 113.0° | 109.5° |
| C12 | C13 | C15 | 112.1° | 109.5° |
| C12 | C13 | H131 | 111.2° | 109.4° |
| C12 | C13 | H132 | 111.2° | 109.5° |
| H121 | C12 | H122 | 97.5° | 109.5° |
| C15 | C13 | H131 | 111.2° | 109.5° |
| C15 | C13 | H132 | 111.2° | 109.4° |
| C13 | C15 | C14 | 113.6° | 109.5° |
| C13 | C15 | H151 | 110.7° | 109.5° |
| C13 | C15 | H152 | 110.7° | 109.4° |
| H131 | C13 | H132 | 99.1° | 109.4° |
| C15 | C14 | O1 | 109.0° | 109.4° |
| C15 | C14 | H141 | 112.4° | 109.5° |
| C15 | C14 | H142 | 112.4° | 109.5° |
| C14 | C15 | H151 | 110.7° | 109.5° |
| C14 | C15 | H152 | 110.7° | 109.5° |
| O1 | C14 | H141 | 112.4° | 109.5° |
| O1 | C14 | H142 | 112.4° | 109.5° |
| C14 | O1 | C32 | 120.3° | 106.8° |
| H141 | C14 | H142 | 98.1° | 109.5° |
| H151 | C15 | H152 | 99.6° | 109.5° |
| O1 | C32 | C33 | 123.0° | 120.1° |
| O1 | C32 | C37 | 118.4° | 120.1° |
| O9 | C41 | C42 | 111.1° | 109.4° |
| O9 | C41 | C43 | 109.6° | 109.4° |
| O9 | C41 | C44 | 111.1° | 109.5° |
| C16 | C8 | C24 | 112.1° | 109.5° |
| C16 | C8 | O2 | 112.8° | 109.5° |
| C16 | C8 | H8 | 104.1° | 109.4° |
| C8 | C16 | O3 | 125.0° | 120.0° |
| C8 | C16 | O5 | 112.4° | 120.0° |
| C24 | C8 | O2 | 105.5° | 109.5° |
| C24 | C8 | H8 | 111.6° | 109.4° |
| C8 | C24 | O6 | 125.4° | 120.0° |
| C8 | C24 | O7 | 113.0° | 120.0° |
| O2 | C8 | H8 | 110.9° | 109.5° |
| H71 | C7 | H72 | 99.1° | 109.4° |
| O3 | C16 | O5 | 122.6° | 120.0° |
| C16 | O5 | HO5 | 112.4° | 119.9° |
| O6 | C24 | O7 | 121.5° | 120.0° |
| C24 | O6 | HO6 | 125.4° | 120.0° |
| C33 | C32 | C37 | 118.6° | 119.7° |
| C32 | C33 | C34 | 120.9° | 120.3° |
| C32 | C33 | H33 | 121.1° | 119.9° |
| C32 | C37 | C36 | 119.3° | 119.5° |
| C32 | C37 | C38 | 122.1° | 120.2° |
| C34 | C33 | H33 | 118.1° | 119.9° |
| C33 | C34 | C35 | 119.8° | 120.5° |
| C33 | C34 | H34 | 120.1° | 119.8° |
| C35 | C34 | H34 | 120.2° | 119.7° |
| C34 | C35 | C36 | 120.7° | 120.2° |
| C34 | C35 | H35 | 119.7° | 119.8° |
| C36 | C35 | H35 | 119.6° | 119.9° |
| C35 | C36 | C37 | 120.8° | 119.7° |
| C35 | C36 | O13 | 116.4° | 120.1° |
| C37 | C36 | O13 | 122.8° | 120.1° |
| C36 | C37 | C38 | 118.7° | 120.2° |
| C36 | O13 | H13 | 116.4° | 106.8° |
| C37 | C38 | O11 | 120.7° | 120.0° |
| C37 | C38 | O12 | 115.8° | 120.0° |
| O11 | C38 | O12 | 123.6° | 120.0° |
| C38 | O12 | C39 | 121.5° | 120.0° |
| O12 | C39 | H391 | 107.9° | 109.4° |
| O12 | C39 | H392 | 121.5° | 109.5° |
| O12 | C39 | H393 | 107.9° | 109.5° |
| H391 | C39 | H392 | 107.9° | 109.5° |
| H391 | C39 | H393 | 102.0° | 109.5° |
| H392 | C39 | H393 | 107.9° | 109.5° |
| C42 | C41 | C43 | 109.0° | 109.5° |
| C42 | C41 | C44 | 106.8° | 109.5° |
| C41 | C42 | H421 | 111.6° | 109.5° |
| C41 | C42 | H422 | 111.1° | 109.5° |
| C41 | C42 | H423 | 111.6° | 109.5° |
| C43 | C41 | C44 | 109.2° | 109.5° |
| C41 | C43 | H431 | 112.1° | 109.5° |
| C41 | C43 | H432 | 109.6° | 109.5° |
| C41 | C43 | H433 | 112.1° | 109.5° |
| C41 | C44 | H441 | 111.6° | 109.4° |
| C41 | C44 | H442 | 111.1° | 109.5° |
| C41 | C44 | H443 | 111.6° | 109.5° |
| H421 | C42 | H422 | 111.6° | 109.5° |
| H421 | C42 | H423 | 98.8° | 109.4° |
| H422 | C42 | H423 | 111.6° | 109.5° |
| H431 | C43 | H432 | 112.2° | 109.4° |
| H431 | C43 | H433 | 98.3° | 109.5° |
| H432 | C43 | H433 | 112.2° | 109.5° |
| H441 | C44 | H442 | 111.6° | 109.5° |
| H441 | C44 | H443 | 98.7° | 109.4° |
| H442 | C44 | H443 | 111.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | O2 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | H3 | 179.8° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C1 | C2 | O2 | C8 | 0.2° | 76.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C6 | C1 | C2 | O2 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.2° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 178.8° | 180.0° |
| H1 | C1 | C2 | C3 | 179.8° | 180.0° |
| H1 | C1 | C2 | O2 | 0.4° | 0.1° |
| H1 | C1 | C6 | C5 | 179.9° | 180.0° |
| H1 | C1 | C6 | H6 | 0.1° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.4° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | O2 | C8 | 179.7° | 103.0° |
| O2 | C2 | C3 | C4 | 179.7° | 179.8° |
| O2 | C2 | C3 | H3 | 0.3° | 0.2° |
| C2 | O2 | C8 | C16 | 70.5° | 95.1° |
| C2 | O2 | C8 | C24 | 166.8° | 144.8° |
| C2 | O2 | C8 | H8 | 45.8° | 24.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | C7 | 178.8° | 179.8° |
| H3 | C3 | C4 | C5 | 180.0° | 179.7° |
| H3 | C3 | C4 | H4 | 0.0° | 0.1° |
| C4 | C5 | C6 | C7 | 178.9° | 179.8° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C4 | C5 | C7 | C9 | 102.1° | 90.2° |
| C4 | C5 | C7 | H71 | 132.6° | 149.8° |
| C4 | C5 | C7 | H72 | 23.2° | 29.8° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | C7 | 1.2° | 0.2° |
| C6 | C5 | C7 | C9 | 76.8° | 90.0° |
| C6 | C5 | C7 | H71 | 48.4° | 30.0° |
| C6 | C5 | C7 | H72 | 157.9° | 150.0° |
| C7 | C5 | C6 | H6 | 1.2° | 0.0° |
| C5 | C7 | C9 | N1 | 179.1° | 65.0° |
| C5 | C7 | C9 | C11 | 50.0° | 175.0° |
| C5 | C7 | C9 | H71 | 125.3° | 120.0° |
| C5 | C7 | C9 | H72 | 125.3° | 120.0° |
| C5 | C7 | C9 | H9 | 64.3° | 54.9° |
| C5 | C7 | H71 | H72 | 117.1° | 120.0° |
| N1 | C9 | C11 | C7 | 123.8° | 120.0° |
| N1 | C9 | C11 | H9 | 115.4° | 120.0° |
| N1 | C9 | C7 | H9 | 116.6° | 119.9° |
| C9 | N1 | C10 | HN1 | 180.0° | 179.9° |
| C9 | N1 | C10 | O4 | 0.4° | 0.1° |
| C9 | N1 | C10 | O9 | 178.9° | 180.0° |
| N1 | C9 | C11 | N2 | 39.9° | 160.0° |
| N1 | C9 | C11 | O8 | 141.7° | 20.0° |
| N1 | C9 | C7 | H71 | 55.7° | 55.0° |
| N1 | C9 | C7 | H72 | 53.8° | 175.0° |
| C11 | C9 | C7 | H9 | 114.3° | 120.1° |
| C11 | C9 | N1 | C10 | 91.4° | 60.0° |
| C11 | C9 | N1 | HN1 | 88.6° | 120.0° |
| C9 | C11 | N2 | O8 | 178.3° | 180.0° |
| C9 | C11 | N2 | C12 | 178.5° | 180.0° |
| C9 | C11 | N2 | HN2 | 1.6° | 0.0° |
| C11 | C9 | C7 | H71 | 175.2° | 65.0° |
| C11 | C9 | C7 | H72 | 75.3° | 55.0° |
| C7 | C9 | N1 | C10 | 143.3° | 60.0° |
| C7 | C9 | N1 | HN1 | 36.7° | 120.0° |
| C7 | C9 | C11 | N2 | 83.9° | 80.0° |
| C7 | C9 | C11 | O8 | 94.5° | 100.0° |
| C9 | C7 | H71 | H72 | 117.1° | 120.0° |
| H9 | C9 | N1 | C10 | 22.2° | 180.0° |
| H9 | C9 | N1 | HN1 | 157.8° | 0.0° |
| H9 | C9 | C11 | N2 | 155.3° | 40.0° |
| H9 | C9 | C11 | O8 | 26.2° | 140.0° |
| H9 | C9 | C7 | H71 | 60.9° | 175.0° |
| H9 | C9 | C7 | H72 | 170.4° | 65.1° |
| N1 | C10 | O4 | O9 | 179.3° | 179.9° |
| N1 | C10 | O9 | C41 | 115.0° | 179.9° |
| HN1 | N1 | C10 | O4 | 179.6° | 180.0° |
| HN1 | N1 | C10 | O9 | 1.1° | 0.1° |
| O4 | C10 | O9 | C41 | 64.4° | 0.0° |
| C10 | O9 | C41 | C42 | 35.5° | 60.1° |
| C10 | O9 | C41 | C43 | 85.0° | 180.0° |
| C10 | O9 | C41 | C44 | 154.2° | 60.0° |
| C11 | N2 | C12 | HN2 | 180.0° | 180.0° |
| C11 | N2 | C12 | C13 | 150.6° | 180.0° |
| C11 | N2 | C12 | H121 | 25.3° | 60.0° |
| C11 | N2 | C12 | H122 | 84.1° | 60.0° |
| O8 | C11 | N2 | C12 | 0.1° | 0.0° |
| O8 | C11 | N2 | HN2 | 179.9° | 180.0° |
| N2 | C12 | C13 | H121 | 125.3° | 120.0° |
| N2 | C12 | C13 | H122 | 125.3° | 120.0° |
| N2 | C12 | H121 | H122 | 118.9° | 120.0° |
| N2 | C12 | C13 | C15 | 38.8° | 179.9° |
| N2 | C12 | C13 | H131 | 164.1° | 60.0° |
| N2 | C12 | C13 | H132 | 86.4° | 60.0° |
| HN2 | N2 | C12 | C13 | 29.5° | 0.0° |
| HN2 | N2 | C12 | H121 | 154.7° | 120.0° |
| HN2 | N2 | C12 | H122 | 95.8° | 120.0° |
| C13 | C12 | H121 | H122 | 118.9° | 120.0° |
| C12 | C13 | C15 | H131 | 125.3° | 120.0° |
| C12 | C13 | C15 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 117.1° | 120.0° |
| C12 | C13 | C15 | C14 | 179.7° | 180.0° |
| C12 | C13 | C15 | H151 | 54.4° | 60.0° |
| C12 | C13 | C15 | H152 | 55.1° | 60.0° |
| H121 | C12 | C13 | C15 | 86.4° | 60.0° |
| H121 | C12 | C13 | H131 | 38.8° | 180.0° |
| H121 | C12 | C13 | H132 | 148.3° | 60.0° |
| H122 | C12 | C13 | C15 | 164.1° | 60.0° |
| H122 | C12 | C13 | H131 | 70.6° | 60.0° |
| H122 | C12 | C13 | H132 | 38.8° | 180.0° |
| C15 | C13 | H131 | H132 | 117.1° | 120.0° |
| C13 | C15 | C14 | H151 | 125.3° | 120.0° |
| C13 | C15 | C14 | H152 | 125.3° | 119.9° |
| C13 | C15 | C14 | O1 | 68.4° | 180.0° |
| C13 | C15 | C14 | H141 | 56.8° | 60.0° |
| C13 | C15 | C14 | H142 | 166.3° | 60.1° |
| C13 | C15 | H151 | H152 | 116.6° | 120.0° |
| H131 | C13 | C15 | C14 | 55.0° | 60.0° |
| H131 | C13 | C15 | H151 | 179.7° | 180.0° |
| H131 | C13 | C15 | H152 | 70.2° | 60.0° |
| H132 | C13 | C15 | C14 | 54.4° | 60.0° |
| H132 | C13 | C15 | H151 | 70.9° | 60.0° |
| H132 | C13 | C15 | H152 | 179.7° | 179.9° |
| C15 | C14 | O1 | H141 | 125.2° | 120.0° |
| C15 | C14 | O1 | H142 | 125.3° | 120.0° |
| C15 | C14 | H141 | H142 | 118.4° | 120.0° |
| C14 | C15 | H151 | H152 | 116.5° | 120.0° |
| C15 | C14 | O1 | C32 | 154.5° | 180.0° |
| O1 | C14 | H141 | H142 | 118.3° | 120.0° |
| O1 | C14 | C15 | H151 | 166.3° | 60.0° |
| O1 | C14 | C15 | H152 | 56.9° | 60.0° |
| C14 | O1 | C32 | C33 | 27.7° | 0.0° |
| C14 | O1 | C32 | C37 | 152.5° | 179.4° |
| H141 | C14 | C15 | H151 | 68.4° | 180.0° |
| H141 | C14 | C15 | H152 | 177.9° | 59.9° |
| H141 | C14 | O1 | C32 | 29.2° | 60.0° |
| H142 | C14 | C15 | H151 | 41.1° | 60.0° |
| H142 | C14 | C15 | H152 | 68.4° | 180.0° |
| H142 | C14 | O1 | C32 | 80.2° | 60.0° |
| O1 | C32 | C33 | C37 | 179.8° | 179.4° |
| O1 | C32 | C33 | C34 | 179.8° | 180.0° |
| O1 | C32 | C33 | H33 | 0.2° | 0.3° |
| O1 | C32 | C37 | C36 | 179.9° | 180.0° |
| O1 | C32 | C37 | C38 | 0.0° | 0.3° |
| O9 | C41 | C42 | C43 | 120.9° | 119.9° |
| O9 | C41 | C42 | C44 | 121.3° | 120.1° |
| O9 | C41 | C43 | C44 | 121.9° | 120.0° |
| O9 | C41 | C42 | H421 | 54.7° | 59.9° |
| O9 | C41 | C42 | H422 | 180.0° | 180.0° |
| O9 | C41 | C42 | H423 | 54.7° | 60.0° |
| O9 | C41 | C43 | H431 | 54.7° | 60.1° |
| O9 | C41 | C43 | H432 | 180.0° | 180.0° |
| O9 | C41 | C43 | H433 | 54.7° | 60.0° |
| O9 | C41 | C44 | H441 | 54.7° | 60.0° |
| O9 | C41 | C44 | H442 | 180.0° | 180.0° |
| O9 | C41 | C44 | H443 | 54.7° | 59.9° |
| C16 | C8 | C24 | O2 | 123.1° | 120.1° |
| C16 | C8 | C24 | H8 | 116.4° | 120.0° |
| C16 | C8 | O2 | H8 | 116.3° | 120.0° |
| C8 | C16 | O3 | O5 | 179.4° | 180.0° |
| C16 | C8 | C24 | O6 | 93.1° | 59.9° |
| C16 | C8 | C24 | O7 | 86.8° | 120.0° |
| C8 | C16 | O5 | HO5 | 180.0° | 180.0° |
| C24 | C8 | O2 | H8 | 121.0° | 120.0° |
| C24 | C8 | C16 | O3 | 98.8° | 115.0° |
| C24 | C8 | C16 | O5 | 81.7° | 64.9° |
| C8 | C24 | O6 | O7 | 179.8° | 179.9° |
| C8 | C24 | O6 | HO6 | 180.0° | 180.0° |
| O2 | C8 | C16 | O3 | 20.1° | 5.0° |
| O2 | C8 | C16 | O5 | 159.3° | 175.0° |
| O2 | C8 | C24 | O6 | 30.0° | 180.0° |
| O2 | C8 | C24 | O7 | 150.1° | 0.1° |
| H8 | C8 | C16 | O3 | 140.4° | 125.0° |
| H8 | C8 | C16 | O5 | 39.0° | 55.0° |
| H8 | C8 | C24 | O6 | 150.5° | 60.0° |
| H8 | C8 | C24 | O7 | 29.6° | 120.1° |
| O3 | C16 | O5 | HO5 | 0.5° | 0.0° |
| O7 | C24 | O6 | HO6 | 0.1° | 0.1° |
| C32 | C33 | C34 | H33 | 180.0° | 179.7° |
| C32 | C33 | C34 | C35 | 0.0° | 0.3° |
| C32 | C33 | C34 | H34 | 180.0° | 179.7° |
| C33 | C32 | C37 | C36 | 0.0° | 0.6° |
| C33 | C32 | C37 | C38 | 179.9° | 179.7° |
| C37 | C32 | C33 | C34 | 0.0° | 0.6° |
| C37 | C32 | C33 | H33 | 180.0° | 179.7° |
| C32 | C37 | C36 | C35 | 0.1° | 0.3° |
| C32 | C37 | C36 | C38 | 179.9° | 179.8° |
| C32 | C37 | C36 | O13 | 179.9° | 179.7° |
| C32 | C37 | C38 | O11 | 118.1° | 90.3° |
| C32 | C37 | C38 | O12 | 62.2° | 89.8° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| H33 | C33 | C34 | C35 | 180.0° | 180.0° |
| H33 | C33 | C34 | H34 | 0.0° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C34 | C35 | C36 | O13 | 179.9° | 180.0° |
| H34 | C34 | C35 | C36 | 180.0° | 180.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.0° |
| C35 | C36 | C37 | O13 | 179.8° | 179.9° |
| C35 | C36 | C37 | C38 | 179.8° | 180.0° |
| C35 | C36 | O13 | H13 | 180.0° | 90.0° |
| H35 | C35 | C36 | C37 | 179.9° | 180.0° |
| H35 | C35 | C36 | O13 | 0.1° | 0.0° |
| C36 | C37 | C38 | O11 | 61.8° | 89.9° |
| C36 | C37 | C38 | O12 | 117.9° | 90.0° |
| C37 | C36 | O13 | H13 | 0.2° | 90.0° |
| O13 | C36 | C37 | C38 | 0.0° | 0.1° |
| C37 | C38 | O11 | O12 | 179.6° | 179.9° |
| C37 | C38 | O12 | C39 | 179.6° | 180.0° |
| O11 | C38 | O12 | C39 | 0.1° | 0.1° |
| C38 | O12 | C39 | H391 | 54.7° | 60.0° |
| C38 | O12 | C39 | H392 | 180.0° | 60.0° |
| C38 | O12 | C39 | H393 | 54.8° | 180.0° |
| O12 | C39 | H391 | H392 | 133.0° | 120.0° |
| O12 | C39 | H391 | H393 | 113.5° | 120.0° |
| O12 | C39 | H392 | H393 | 125.2° | 120.0° |
| H391 | C39 | H392 | H393 | 109.5° | 120.0° |
| C42 | C41 | C43 | C44 | 116.3° | 120.0° |
| C41 | C42 | H421 | H422 | 125.0° | 120.0° |
| C41 | C42 | H421 | H423 | 117.5° | 120.0° |
| C41 | C42 | H422 | H423 | 125.2° | 120.0° |
| C42 | C41 | C43 | H431 | 67.1° | 180.0° |
| C42 | C41 | C43 | H432 | 58.2° | 60.1° |
| C42 | C41 | C43 | H433 | 176.5° | 60.0° |
| C42 | C41 | C44 | H441 | 176.0° | 60.0° |
| C42 | C41 | C44 | H442 | 58.7° | 60.0° |
| C42 | C41 | C44 | H443 | 66.6° | 180.0° |
| C43 | C41 | C42 | H421 | 175.6° | 60.0° |
| C43 | C41 | C42 | H422 | 59.1° | 60.0° |
| C43 | C41 | C42 | H423 | 66.1° | 179.9° |
| C41 | C43 | H431 | H432 | 123.9° | 120.0° |
| C41 | C43 | H431 | H433 | 118.0° | 120.0° |
| C41 | C43 | H432 | H433 | 125.2° | 120.0° |
| C43 | C41 | C44 | H441 | 66.3° | 180.0° |
| C43 | C41 | C44 | H442 | 58.9° | 60.0° |
| C43 | C41 | C44 | H443 | 175.7° | 60.0° |
| C44 | C41 | C42 | H421 | 66.5° | 180.0° |
| C44 | C41 | C42 | H422 | 58.7° | 60.0° |
| C44 | C41 | C42 | H423 | 176.0° | 60.0° |
| C44 | C41 | C43 | H431 | 176.7° | 60.0° |
| C44 | C41 | C43 | H432 | 58.0° | 60.0° |
| C44 | C41 | C43 | H433 | 67.2° | 180.0° |
| C41 | C44 | H441 | H442 | 125.0° | 120.0° |
| C41 | C44 | H441 | H443 | 117.5° | 120.0° |
| C41 | C44 | H442 | H443 | 125.3° | 120.1° |
| H421 | C42 | H422 | H423 | 109.5° | 120.0° |
| H431 | C43 | H432 | H433 | 109.5° | 120.0° |
| H441 | C44 | H442 | H443 | 109.4° | 120.0° |
