429
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | O2 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | O5 | sing | 1.36Å | 1.40Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O5 | C8 | sing | 1.43Å | 1.41Å | |
| C9 | N1 | sing | 1.46Å | 1.47Å | |
| C9 | C11 | sing | 1.51Å | 1.55Å | |
| C9 | C7 | sing | 1.53Å | 1.57Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| N1 | C10 | sing | 1.35Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C10 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | C23 | sing | 1.51Å | 1.53Å | |
| C11 | N2 | sing | 1.35Å | 1.36Å | |
| C11 | O8 | doub | 1.21Å | 1.23Å | |
| N2 | C12 | sing | 1.47Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | O1 | sing | 1.43Å | 1.42Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| O1 | C32 | sing | 1.36Å | 1.41Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.12Å | |
| C8 | C24 | sing | 1.51Å | 1.51Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C24 | O6 | sing | 1.34Å | 1.34Å | |
| C24 | O7 | doub | 1.21Å | 1.19Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C32 | C33 | doub | 1.39Å | 1.44Å | Aromatic |
| C32 | C37 | sing | 1.40Å | 1.45Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.39Å | 1.42Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.40Å | 1.44Å | Aromatic |
| C36 | O13 | sing | 1.36Å | 1.38Å | |
| C37 | C38 | sing | 1.47Å | 1.49Å | |
| C38 | O11 | doub | 1.22Å | 1.21Å | |
| C38 | O12 | sing | 1.35Å | 1.34Å | |
| O12 | C39 | sing | 1.45Å | 1.44Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.3° | 119.9° |
| C2 | C1 | O2 | 119.8° | 120.0° |
| C1 | C2 | C3 | 119.3° | 119.8° |
| C1 | C2 | O5 | 116.8° | 120.1° |
| C6 | C1 | O2 | 119.9° | 120.1° |
| C1 | C6 | C5 | 120.7° | 120.0° |
| C1 | C6 | H6 | 119.4° | 120.0° |
| C1 | O2 | HO2 | 119.8° | 106.8° |
| C3 | C2 | O5 | 123.8° | 120.1° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.7° | 120.0° |
| C2 | O5 | C8 | 115.9° | 106.8° |
| C4 | C3 | H3 | 119.3° | 120.0° |
| C3 | C4 | C5 | 120.8° | 120.2° |
| C3 | C4 | H4 | 119.0° | 120.0° |
| C5 | C4 | H4 | 120.2° | 119.8° |
| C4 | C5 | C6 | 118.9° | 120.1° |
| C4 | C5 | C7 | 120.8° | 119.9° |
| C6 | C5 | C7 | 120.3° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C5 | C7 | C9 | 113.3° | 109.5° |
| C5 | C7 | H71 | 110.8° | 109.5° |
| C5 | C7 | H72 | 110.8° | 109.5° |
| O5 | C8 | C24 | 107.6° | 109.5° |
| O5 | C8 | H81 | 112.9° | 109.5° |
| O5 | C8 | H82 | 112.9° | 109.4° |
| N1 | C9 | C11 | 107.8° | 109.4° |
| N1 | C9 | C7 | 110.6° | 109.5° |
| N1 | C9 | H9 | 110.3° | 109.5° |
| C9 | N1 | C10 | 122.4° | 120.0° |
| C9 | N1 | HN1 | 123.2° | 120.0° |
| C11 | C9 | C7 | 111.0° | 109.5° |
| C11 | C9 | H9 | 110.0° | 109.5° |
| C9 | C11 | N2 | 112.5° | 120.0° |
| C9 | C11 | O8 | 122.2° | 120.0° |
| C7 | C9 | H9 | 107.2° | 109.5° |
| C9 | C7 | H71 | 110.8° | 109.5° |
| C9 | C7 | H72 | 110.8° | 109.4° |
| C10 | N1 | HN1 | 114.4° | 120.0° |
| N1 | C10 | O4 | 125.7° | 120.0° |
| N1 | C10 | C23 | 112.7° | 120.0° |
| O4 | C10 | C23 | 121.6° | 120.0° |
| C10 | C23 | H231 | 111.0° | 109.4° |
| C10 | C23 | H232 | 112.7° | 109.6° |
| C10 | C23 | H233 | 111.0° | 109.5° |
| N2 | C11 | O8 | 125.3° | 120.0° |
| C11 | N2 | C12 | 121.8° | 120.0° |
| C11 | N2 | HN2 | 115.4° | 120.0° |
| C12 | N2 | HN2 | 122.9° | 120.0° |
| N2 | C12 | C13 | 108.8° | 109.5° |
| N2 | C12 | H121 | 112.4° | 109.4° |
| N2 | C12 | H122 | 112.5° | 109.5° |
| C13 | C12 | H121 | 112.4° | 109.5° |
| C13 | C12 | H122 | 112.4° | 109.4° |
| C12 | C13 | C15 | 113.8° | 109.4° |
| C12 | C13 | H131 | 110.6° | 109.5° |
| C12 | C13 | H132 | 110.6° | 109.5° |
| H121 | C12 | H122 | 98.0° | 109.5° |
| C15 | C13 | H131 | 110.6° | 109.5° |
| C15 | C13 | H132 | 110.6° | 109.5° |
| C13 | C15 | C14 | 111.8° | 109.4° |
| C13 | C15 | H151 | 111.3° | 109.4° |
| C13 | C15 | H152 | 111.3° | 109.5° |
| H131 | C13 | H132 | 99.7° | 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 | 111.3° | 109.5° |
| C14 | C15 | H152 | 111.3° | 109.5° |
| O1 | C14 | H141 | 112.4° | 109.4° |
| O1 | C14 | H142 | 112.3° | 109.5° |
| C14 | O1 | C32 | 116.9° | 106.8° |
| H141 | C14 | H142 | 98.1° | 109.5° |
| H151 | C15 | H152 | 99.0° | 109.5° |
| O1 | C32 | C33 | 122.1° | 120.1° |
| O1 | C32 | C37 | 119.1° | 120.2° |
| H231 | C23 | H232 | 111.0° | 109.5° |
| H231 | C23 | H233 | 99.3° | 109.4° |
| H232 | C23 | H233 | 111.0° | 109.5° |
| C24 | C8 | H81 | 112.9° | 109.5° |
| C24 | C8 | H82 | 112.9° | 109.5° |
| C8 | C24 | O6 | 111.0° | 120.0° |
| C8 | C24 | O7 | 124.7° | 120.0° |
| H81 | C8 | H82 | 97.5° | 109.4° |
| H71 | C7 | H72 | 99.5° | 109.5° |
| O6 | C24 | O7 | 124.3° | 120.0° |
| C24 | O6 | HO6 | 111.0° | 120.0° |
| C33 | C32 | C37 | 118.8° | 119.7° |
| C32 | C33 | C34 | 121.1° | 120.3° |
| C32 | C33 | H33 | 120.5° | 119.9° |
| C32 | C37 | C36 | 119.0° | 119.5° |
| C32 | C37 | C38 | 122.4° | 120.2° |
| C34 | C33 | H33 | 118.4° | 119.8° |
| C33 | C34 | C35 | 119.7° | 120.5° |
| C33 | C34 | H34 | 120.2° | 119.8° |
| C35 | C34 | H34 | 120.1° | 119.7° |
| C34 | C35 | C36 | 120.7° | 120.2° |
| C34 | C35 | H35 | 119.5° | 119.9° |
| C36 | C35 | H35 | 119.7° | 119.9° |
| C35 | C36 | C37 | 120.7° | 119.8° |
| C35 | C36 | O13 | 117.1° | 120.1° |
| C37 | C36 | O13 | 122.3° | 120.1° |
| C36 | C37 | C38 | 118.6° | 120.2° |
| C36 | O13 | H13 | 117.1° | 106.8° |
| C37 | C38 | O11 | 120.8° | 120.0° |
| C37 | C38 | O12 | 116.4° | 120.0° |
| O11 | C38 | O12 | 122.8° | 120.0° |
| C38 | O12 | C39 | 118.1° | 120.0° |
| O12 | C39 | H391 | 109.1° | 109.4° |
| O12 | C39 | H392 | 118.1° | 109.5° |
| O12 | C39 | H393 | 109.1° | 109.5° |
| H391 | C39 | H392 | 109.1° | 109.5° |
| H391 | C39 | H393 | 101.0° | 109.5° |
| H392 | C39 | H393 | 109.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O2 | 179.4° | 179.7° |
| C1 | C2 | C3 | O5 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | H3 | 179.5° | 179.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.5° |
| C2 | C1 | C6 | H6 | 179.6° | 180.0° |
| C1 | C2 | O5 | C8 | 139.1° | 180.0° |
| C2 | C1 | O2 | HO2 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.2° |
| C6 | C1 | C2 | O5 | 179.3° | 179.7° |
| C1 | C6 | C5 | C4 | 0.0° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.4° |
| C1 | C6 | C5 | C7 | 179.5° | 179.8° |
| C6 | C1 | O2 | HO2 | 0.6° | 89.7° |
| O2 | C1 | C2 | C3 | 180.0° | 180.0° |
| O2 | C1 | C2 | O5 | 0.2° | 0.0° |
| O2 | C1 | C6 | C5 | 179.8° | 179.8° |
| O2 | C1 | C6 | H6 | 0.2° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | O5 | C8 | 41.1° | 0.1° |
| O5 | C2 | C3 | C4 | 179.4° | 180.0° |
| O5 | C2 | C3 | H3 | 0.6° | 0.1° |
| C2 | O5 | C8 | C24 | 173.0° | 180.0° |
| C2 | O5 | C8 | H81 | 47.8° | 60.0° |
| C2 | O5 | C8 | H82 | 61.7° | 60.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | C7 | 179.4° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 179.9° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C6 | C7 | 179.5° | 179.7° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C7 | C9 | 104.0° | 90.0° |
| C4 | C5 | C7 | H71 | 130.7° | 30.0° |
| C4 | C5 | C7 | H72 | 21.2° | 150.0° |
| H4 | C4 | C5 | C6 | 179.9° | 179.7° |
| H4 | C4 | C5 | C7 | 0.6° | 0.0° |
| C6 | C5 | C7 | C9 | 75.4° | 90.3° |
| C6 | C5 | C7 | H71 | 49.8° | 149.7° |
| C6 | C5 | C7 | H72 | 159.3° | 29.7° |
| C7 | C5 | C6 | H6 | 0.5° | 0.3° |
| C5 | C7 | C9 | N1 | 179.6° | 65.0° |
| C5 | C7 | C9 | C11 | 60.8° | 175.0° |
| C5 | C7 | C9 | H71 | 125.3° | 120.0° |
| C5 | C7 | C9 | H72 | 125.3° | 119.9° |
| C5 | C7 | C9 | H9 | 59.3° | 55.0° |
| C5 | C7 | H71 | H72 | 116.7° | 120.0° |
| O5 | C8 | C24 | H81 | 125.3° | 120.0° |
| O5 | C8 | C24 | H82 | 125.3° | 120.0° |
| O5 | C8 | H81 | H82 | 118.9° | 120.0° |
| O5 | C8 | C24 | O6 | 102.0° | 180.0° |
| O5 | C8 | C24 | O7 | 77.7° | 0.0° |
| N1 | C9 | C11 | C7 | 121.2° | 120.0° |
| N1 | C9 | C11 | H9 | 120.4° | 120.0° |
| N1 | C9 | C7 | H9 | 120.3° | 120.0° |
| C9 | N1 | C10 | HN1 | 180.0° | 179.9° |
| C9 | N1 | C10 | O4 | 42.2° | 0.1° |
| C9 | N1 | C10 | C23 | 137.7° | 180.0° |
| N1 | C9 | C11 | N2 | 51.5° | 160.0° |
| N1 | C9 | C11 | O8 | 128.4° | 20.0° |
| N1 | C9 | C7 | H71 | 54.4° | 55.0° |
| N1 | C9 | C7 | H72 | 55.1° | 175.0° |
| C11 | C9 | C7 | H9 | 120.1° | 120.0° |
| C11 | C9 | N1 | C10 | 90.3° | 60.0° |
| C11 | C9 | N1 | HN1 | 89.7° | 120.0° |
| C9 | C11 | N2 | O8 | 179.9° | 180.0° |
| C9 | C11 | N2 | C12 | 138.3° | 180.0° |
| C9 | C11 | N2 | HN2 | 41.7° | 0.1° |
| C11 | C9 | C7 | H71 | 174.0° | 65.0° |
| C11 | C9 | C7 | H72 | 64.5° | 55.0° |
| C7 | C9 | N1 | C10 | 148.2° | 60.0° |
| C7 | C9 | N1 | HN1 | 31.8° | 120.0° |
| C7 | C9 | C11 | N2 | 69.7° | 80.0° |
| C7 | C9 | C11 | O8 | 110.4° | 99.9° |
| C9 | C7 | H71 | H72 | 116.6° | 120.0° |
| H9 | C9 | N1 | C10 | 29.8° | 180.0° |
| H9 | C9 | N1 | HN1 | 150.2° | 0.1° |
| H9 | C9 | C11 | N2 | 171.9° | 40.0° |
| H9 | C9 | C11 | O8 | 8.0° | 140.0° |
| H9 | C9 | C7 | H71 | 66.0° | 175.0° |
| H9 | C9 | C7 | H72 | 175.4° | 65.0° |
| N1 | C10 | O4 | C23 | 179.9° | 179.9° |
| N1 | C10 | C23 | H231 | 54.7° | 0.1° |
| N1 | C10 | C23 | H232 | 180.0° | 119.9° |
| N1 | C10 | C23 | H233 | 54.7° | 120.0° |
| HN1 | N1 | C10 | O4 | 137.8° | 180.0° |
| HN1 | N1 | C10 | C23 | 42.3° | 0.1° |
| O4 | C10 | C23 | H231 | 125.3° | 180.0° |
| O4 | C10 | C23 | H232 | 0.1° | 60.0° |
| O4 | C10 | C23 | H233 | 125.2° | 60.1° |
| C10 | C23 | H231 | H232 | 126.2° | 120.1° |
| C10 | C23 | H231 | H233 | 116.9° | 119.9° |
| C10 | C23 | H232 | H233 | 125.3° | 120.1° |
| C11 | N2 | C12 | HN2 | 180.0° | 179.9° |
| C11 | N2 | C12 | C13 | 156.7° | 180.0° |
| C11 | N2 | C12 | H121 | 31.4° | 60.0° |
| C11 | N2 | C12 | H122 | 78.1° | 60.0° |
| O8 | C11 | N2 | C12 | 41.9° | 0.0° |
| O8 | C11 | N2 | HN2 | 138.1° | 179.9° |
| N2 | C12 | C13 | H121 | 125.3° | 120.0° |
| N2 | C12 | C13 | H122 | 125.3° | 120.0° |
| N2 | C12 | H121 | H122 | 118.4° | 120.0° |
| N2 | C12 | C13 | C15 | 89.3° | 180.0° |
| N2 | C12 | C13 | H131 | 145.4° | 60.0° |
| N2 | C12 | C13 | H132 | 35.9° | 60.0° |
| HN2 | N2 | C12 | C13 | 23.3° | 0.1° |
| HN2 | N2 | C12 | H121 | 148.6° | 120.1° |
| HN2 | N2 | C12 | H122 | 101.9° | 119.9° |
| C13 | C12 | H121 | H122 | 118.4° | 120.0° |
| C12 | C13 | C15 | H131 | 125.3° | 120.1° |
| C12 | C13 | C15 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H132 | 116.4° | 120.0° |
| C12 | C13 | C15 | C14 | 179.4° | 180.0° |
| C12 | C13 | C15 | H151 | 54.1° | 60.0° |
| C12 | C13 | C15 | H152 | 55.4° | 60.0° |
| H121 | C12 | C13 | C15 | 35.9° | 60.0° |
| H121 | C12 | C13 | H131 | 89.3° | 180.0° |
| H121 | C12 | C13 | H132 | 161.2° | 60.0° |
| H122 | C12 | C13 | C15 | 145.4° | 60.1° |
| H122 | C12 | C13 | H131 | 20.1° | 60.0° |
| H122 | C12 | C13 | H132 | 89.3° | 180.0° |
| C15 | C13 | H131 | H132 | 116.5° | 120.0° |
| C13 | C15 | C14 | H151 | 125.3° | 119.9° |
| C13 | C15 | C14 | H152 | 125.3° | 120.0° |
| C13 | C15 | C14 | O1 | 114.5° | 180.0° |
| C13 | C15 | C14 | H141 | 10.8° | 60.1° |
| C13 | C15 | C14 | H142 | 120.3° | 60.0° |
| C13 | C15 | H151 | H152 | 117.2° | 120.0° |
| H131 | C13 | C15 | C14 | 55.3° | 60.0° |
| H131 | C13 | C15 | H151 | 179.4° | 179.9° |
| H131 | C13 | C15 | H152 | 69.9° | 60.0° |
| H132 | C13 | C15 | C14 | 54.2° | 60.0° |
| H132 | C13 | C15 | H151 | 71.1° | 60.0° |
| H132 | C13 | C15 | H152 | 179.4° | 180.0° |
| C15 | C14 | O1 | H141 | 125.3° | 119.9° |
| C15 | C14 | O1 | H142 | 125.2° | 120.0° |
| C15 | C14 | H141 | H142 | 118.3° | 120.1° |
| C14 | C15 | H151 | H152 | 117.2° | 120.1° |
| C15 | C14 | O1 | C32 | 165.3° | 179.9° |
| O1 | C14 | H141 | H142 | 118.3° | 120.0° |
| O1 | C14 | C15 | H151 | 120.2° | 60.1° |
| O1 | C14 | C15 | H152 | 10.8° | 60.0° |
| C14 | O1 | C32 | C33 | 41.9° | 0.0° |
| C14 | O1 | C32 | C37 | 138.4° | 179.5° |
| H141 | C14 | C15 | H151 | 114.5° | NaN° |
| H141 | C14 | C15 | H152 | 136.0° | 59.9° |
| H141 | C14 | O1 | C32 | 40.0° | 60.0° |
| H142 | C14 | C15 | H151 | 5.0° | 59.9° |
| H142 | C14 | C15 | H152 | 114.5° | 180.0° |
| H142 | C14 | O1 | C32 | 69.5° | 60.0° |
| O1 | C32 | C33 | C37 | 179.7° | 179.5° |
| O1 | C32 | C33 | C34 | 179.9° | 179.9° |
| O1 | C32 | C33 | H33 | 0.0° | 0.2° |
| O1 | C32 | C37 | C36 | 179.9° | 180.0° |
| O1 | C32 | C37 | C38 | 0.1° | 0.2° |
| H231 | C23 | H232 | H233 | 109.4° | 119.9° |
| C24 | C8 | H81 | H82 | 118.8° | 120.0° |
| C8 | C24 | O6 | O7 | 179.7° | 180.0° |
| C8 | C24 | O6 | HO6 | 180.0° | 180.0° |
| H81 | C8 | C24 | O6 | 132.7° | 60.0° |
| H81 | C8 | C24 | O7 | 47.6° | 120.0° |
| H82 | C8 | C24 | O6 | 23.2° | 60.0° |
| H82 | C8 | C24 | O7 | 157.0° | 120.0° |
| O7 | C24 | O6 | HO6 | 0.3° | 0.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.7° |
| C32 | C33 | C34 | C35 | 0.2° | 0.3° |
| C32 | C33 | C34 | H34 | 179.9° | 179.7° |
| C33 | C32 | C37 | C36 | 0.3° | 0.5° |
| C33 | C32 | C37 | C38 | 179.8° | 179.7° |
| C37 | C32 | C33 | C34 | 0.3° | 0.5° |
| C37 | C32 | C33 | H33 | 179.7° | 179.7° |
| C32 | C37 | C36 | C35 | 0.2° | 0.3° |
| C32 | C37 | C36 | C38 | 179.9° | 179.7° |
| C32 | C37 | C36 | O13 | 180.0° | 179.7° |
| C32 | C37 | C38 | O11 | 123.4° | 90.3° |
| C32 | C37 | C38 | O12 | 56.5° | 89.8° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C33 | C34 | C35 | H35 | 179.9° | 179.9° |
| H33 | C33 | C34 | C35 | 179.8° | 180.0° |
| H33 | C33 | C34 | H34 | 0.2° | 0.0° |
| 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 | 179.9° | 180.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.0° |
| C35 | C36 | C37 | O13 | 179.8° | 180.0° |
| C35 | C36 | C37 | C38 | 179.9° | 180.0° |
| C35 | C36 | O13 | H13 | 180.0° | 90.0° |
| H35 | C35 | C36 | C37 | 179.9° | 179.9° |
| H35 | C35 | C36 | O13 | 0.1° | 0.0° |
| C36 | C37 | C38 | O11 | 56.6° | 90.0° |
| C36 | C37 | C38 | O12 | 123.4° | 90.0° |
| C37 | C36 | O13 | H13 | 0.2° | 90.0° |
| O13 | C36 | C37 | C38 | 0.1° | 0.0° |
| C37 | C38 | O11 | O12 | 180.0° | 180.0° |
| C37 | C38 | O12 | C39 | 180.0° | 180.0° |
| O11 | C38 | O12 | C39 | 0.0° | 0.0° |
| C38 | O12 | C39 | H391 | 54.7° | 180.0° |
| C38 | O12 | C39 | H392 | 180.0° | 60.0° |
| C38 | O12 | C39 | H393 | 54.7° | 60.0° |
| O12 | C39 | H391 | H392 | 130.4° | 120.0° |
| O12 | C39 | H391 | H393 | 114.8° | 120.0° |
| O12 | C39 | H392 | H393 | 125.3° | 120.0° |
| H391 | C39 | H392 | H393 | 109.5° | 120.0° |
