588
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C24 | sing | 1.35Å | 1.20Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C24 | O7 | doub | 1.21Å | 1.36Å | |
| C24 | C8 | sing | 1.49Å | 1.56Å | |
| C8 | O5 | doub | 1.21Å | 1.24Å | |
| C8 | N4 | sing | 1.35Å | 1.42Å | |
| N4 | C2 | sing | 1.39Å | 1.41Å | |
| N4 | C26 | sing | 1.39Å | 1.45Å | |
| C2 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.45Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C1 | doub | 1.40Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1 | C17 | sing | 1.47Å | 1.52Å | |
| C17 | C18 | doub | 1.35Å | 1.53Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.46Å | 1.55Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | O1 | doub | 1.22Å | 1.22Å | |
| C19 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å | |
| C7 | C9 | sing | 1.53Å | 1.57Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C9 | N1 | sing | 1.46Å | 1.46Å | |
| C9 | C11 | sing | 1.51Å | 1.55Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| N1 | S1 | sing | 1.66Å | 1.75Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| S1 | O4 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S1 | C20 | sing | 1.81Å | 1.77Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.11Å | |
| C11 | O8 | doub | 1.21Å | 1.23Å | |
| C11 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C12 | sing | 1.46Å | 1.47Å | |
| 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 | 1.12Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | doub | 1.39Å | 1.46Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.48Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C25 | doub | 1.40Å | 1.43Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C25 | C31 | sing | 1.47Å | 1.50Å | |
| C31 | O9 | doub | 1.22Å | 1.21Å | |
| C31 | O10 | sing | 1.35Å | 1.22Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | O6 | HO6 | 120.8° | 120.0° |
| O6 | C24 | O7 | 120.8° | 120.0° |
| O6 | C24 | C8 | 122.0° | 120.0° |
| O7 | C24 | C8 | 117.2° | 120.0° |
| C24 | C8 | O5 | 117.3° | 120.0° |
| C24 | C8 | N4 | 121.0° | 120.0° |
| O5 | C8 | N4 | 121.7° | 120.0° |
| C8 | N4 | C2 | 118.5° | 120.0° |
| C8 | N4 | C26 | 122.0° | 120.0° |
| C2 | N4 | C26 | 119.4° | 120.0° |
| N4 | C2 | C3 | 116.7° | 120.2° |
| N4 | C2 | C1 | 124.6° | 120.2° |
| N4 | C26 | C27 | 117.7° | 120.2° |
| N4 | C26 | C25 | 126.7° | 120.2° |
| C3 | C2 | C1 | 118.7° | 119.6° |
| C2 | C3 | C4 | 121.7° | 120.1° |
| C2 | C3 | H3 | 120.5° | 120.0° |
| C2 | C1 | C6 | 118.3° | 119.6° |
| C2 | C1 | C17 | 122.5° | 120.2° |
| C4 | C3 | H3 | 117.8° | 119.9° |
| C3 | C4 | C5 | 120.4° | 120.4° |
| C3 | C4 | H4 | 119.2° | 119.8° |
| C5 | C4 | H4 | 120.4° | 119.8° |
| C4 | C5 | C6 | 119.1° | 120.3° |
| C4 | C5 | C7 | 119.6° | 119.8° |
| C6 | C5 | C7 | 121.3° | 119.9° |
| C5 | C6 | C1 | 121.8° | 119.9° |
| C5 | C6 | H6 | 118.9° | 120.0° |
| C5 | C7 | C9 | 113.9° | 109.5° |
| C5 | C7 | H71 | 110.6° | 109.5° |
| C5 | C7 | H72 | 110.6° | 109.5° |
| C1 | C6 | H6 | 119.3° | 120.0° |
| C6 | C1 | C17 | 119.1° | 120.2° |
| C1 | C17 | C18 | 115.8° | 120.0° |
| C1 | C17 | H17 | 121.7° | 120.0° |
| C18 | C17 | H17 | 122.5° | 120.0° |
| C17 | C18 | C19 | 109.1° | 120.0° |
| C17 | C18 | H18 | 125.0° | 120.0° |
| C19 | C18 | H18 | 125.9° | 120.0° |
| C18 | C19 | O1 | 121.4° | 120.0° |
| C18 | C19 | N3 | 115.3° | 120.0° |
| O1 | C19 | N3 | 123.3° | 120.0° |
| C19 | N3 | HN31 | 115.2° | 120.0° |
| C19 | N3 | HN32 | 123.4° | 120.0° |
| HN31 | N3 | HN32 | 121.4° | 120.0° |
| C9 | C7 | H71 | 110.6° | 109.5° |
| C9 | C7 | H72 | 110.6° | 109.4° |
| C7 | C9 | N1 | 108.8° | 109.5° |
| C7 | C9 | C11 | 111.9° | 109.5° |
| C7 | C9 | H9 | 108.9° | 109.5° |
| H71 | C7 | H72 | 99.7° | 109.5° |
| N1 | C9 | C11 | 111.2° | 109.5° |
| N1 | C9 | H9 | 109.6° | 109.5° |
| C9 | N1 | S1 | 119.0° | 120.0° |
| C9 | N1 | HN1 | 108.8° | 120.0° |
| C11 | C9 | H9 | 106.3° | 109.4° |
| C9 | C11 | O8 | 121.6° | 120.0° |
| C9 | C11 | N2 | 113.8° | 120.1° |
| S1 | N1 | HN1 | 108.8° | 120.0° |
| N1 | S1 | O4 | 103.8° | 102.8° |
| N1 | S1 | O2 | 104.3° | 102.8° |
| N1 | S1 | C20 | 108.7° | 103.2° |
| O4 | S1 | O2 | 118.3° | 122.0° |
| O4 | S1 | C20 | 111.5° | 111.7° |
| O2 | S1 | C20 | 109.5° | 111.7° |
| S1 | C20 | H201 | 112.5° | 109.5° |
| S1 | C20 | H202 | 108.7° | 109.4° |
| S1 | C20 | H203 | 112.5° | 109.5° |
| H201 | C20 | H202 | 112.5° | 109.4° |
| H201 | C20 | H203 | 97.9° | 109.5° |
| H202 | C20 | H203 | 112.5° | 109.5° |
| O8 | C11 | N2 | 124.6° | 119.9° |
| C11 | N2 | C12 | 122.3° | 120.1° |
| C11 | N2 | HN2 | 114.7° | 119.9° |
| C12 | N2 | HN2 | 123.0° | 120.0° |
| N2 | C12 | C13 | 109.8° | 109.5° |
| N2 | C12 | H121 | 112.1° | 109.4° |
| N2 | C12 | H122 | 112.1° | 109.4° |
| C13 | C12 | H121 | 112.1° | 109.5° |
| C13 | C12 | H122 | 112.1° | 109.5° |
| C12 | C13 | C15 | 112.4° | 109.5° |
| C12 | C13 | H131 | 111.1° | 109.5° |
| C12 | C13 | H132 | 111.1° | 109.5° |
| H121 | C12 | H122 | 98.3° | 109.5° |
| C15 | C13 | H131 | 111.1° | 109.5° |
| C15 | C13 | H132 | 111.1° | 109.5° |
| C13 | C15 | C14 | 112.4° | 109.5° |
| C13 | C15 | H151 | 111.1° | 109.5° |
| C13 | C15 | H152 | 111.1° | 109.5° |
| H131 | C13 | H132 | 99.3° | 109.4° |
| C14 | C15 | H151 | 111.1° | 109.5° |
| C14 | C15 | H152 | 111.1° | 109.4° |
| C15 | C14 | C16 | 112.4° | 109.5° |
| C15 | C14 | H141 | 111.1° | 109.5° |
| C15 | C14 | H142 | 111.1° | 109.4° |
| H151 | C15 | H152 | 99.2° | 109.4° |
| C16 | C14 | H141 | 111.1° | 109.5° |
| C16 | C14 | H142 | 111.1° | 109.5° |
| C14 | C16 | H161 | 111.1° | 109.5° |
| C14 | C16 | H162 | 112.4° | 109.5° |
| C14 | C16 | H163 | 111.1° | 109.5° |
| H141 | C14 | H142 | 99.2° | 109.4° |
| H161 | C16 | H162 | 111.1° | 109.5° |
| H161 | C16 | H163 | 99.2° | 109.4° |
| H162 | C16 | H163 | 111.1° | 109.5° |
| C27 | C26 | C25 | 115.7° | 119.6° |
| C26 | C27 | C28 | 123.1° | 120.0° |
| C26 | C27 | H27 | 120.2° | 120.0° |
| C26 | C25 | C30 | 119.2° | 119.6° |
| C26 | C25 | C31 | 125.9° | 120.2° |
| C28 | C27 | H27 | 116.7° | 120.0° |
| C27 | C28 | C29 | 120.0° | 120.4° |
| C27 | C28 | H28 | 120.1° | 119.8° |
| C29 | C28 | H28 | 119.9° | 119.8° |
| C28 | C29 | C30 | 119.7° | 120.4° |
| C28 | C29 | H29 | 120.0° | 119.8° |
| C30 | C29 | H29 | 120.3° | 119.8° |
| C29 | C30 | C25 | 122.3° | 119.9° |
| C29 | C30 | H30 | 118.1° | 120.1° |
| C25 | C30 | H30 | 119.5° | 120.1° |
| C30 | C25 | C31 | 114.9° | 120.2° |
| C25 | C31 | O9 | 118.3° | 120.0° |
| C25 | C31 | O10 | 124.5° | 120.0° |
| O9 | C31 | O10 | 117.2° | 120.0° |
| C31 | O10 | H10 | 124.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C24 | O7 | C8 | 178.6° | 180.0° |
| O6 | C24 | C8 | O5 | 112.5° | 0.0° |
| O6 | C24 | C8 | N4 | 67.1° | 180.0° |
| HO6 | O6 | C24 | O7 | 180.0° | 0.0° |
| HO6 | O6 | C24 | C8 | 1.5° | 180.0° |
| O7 | C24 | C8 | O5 | 68.9° | 180.0° |
| O7 | C24 | C8 | N4 | 111.5° | 0.0° |
| C24 | C8 | O5 | N4 | 179.5° | 180.0° |
| C24 | C8 | N4 | C2 | 16.9° | 0.0° |
| C24 | C8 | N4 | C26 | 165.0° | 180.0° |
| O5 | C8 | N4 | C2 | 163.6° | 180.0° |
| O5 | C8 | N4 | C26 | 14.6° | 0.0° |
| C8 | N4 | C2 | C26 | 178.2° | 180.0° |
| C8 | N4 | C2 | C3 | 79.8° | 96.9° |
| C8 | N4 | C2 | C1 | 99.9° | 83.1° |
| C8 | N4 | C26 | C27 | 129.7° | 97.6° |
| C8 | N4 | C26 | C25 | 50.2° | 82.2° |
| N4 | C2 | C3 | C1 | 179.7° | 180.0° |
| N4 | C2 | C3 | C4 | 179.8° | 180.0° |
| N4 | C2 | C3 | H3 | 0.2° | 0.0° |
| N4 | C2 | C1 | C6 | 179.6° | 179.8° |
| N4 | C2 | C1 | C17 | 0.5° | 0.0° |
| C2 | N4 | C26 | C27 | 48.4° | 82.4° |
| C2 | N4 | C26 | C25 | 131.7° | 97.8° |
| C26 | N4 | C2 | C3 | 98.4° | 83.0° |
| C26 | N4 | C2 | C1 | 81.9° | 96.9° |
| N4 | C26 | C27 | C25 | 179.9° | 179.8° |
| N4 | C26 | C27 | C28 | 179.9° | 180.0° |
| N4 | C26 | C27 | H27 | 0.1° | 0.0° |
| N4 | C26 | C25 | C30 | 179.9° | 179.7° |
| N4 | C26 | C25 | C31 | 0.1° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 179.9° |
| C3 | C2 | C1 | C6 | 0.7° | 0.2° |
| C3 | C2 | C1 | C17 | 179.2° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | H3 | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.5° |
| C2 | C1 | C6 | C17 | 179.9° | 179.8° |
| C2 | C1 | C6 | H6 | 179.7° | 180.0° |
| C2 | C1 | C17 | C18 | 106.4° | 174.9° |
| C2 | C1 | C17 | H17 | 73.6° | 5.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.3° |
| C3 | C4 | C5 | C7 | 178.9° | 180.0° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | C6 | C7 | 179.3° | 179.7° |
| C4 | C5 | C6 | C1 | 0.3° | 0.5° |
| C4 | C5 | C6 | H6 | 179.7° | 179.9° |
| C4 | C5 | C7 | C9 | 101.5° | 95.0° |
| C4 | C5 | C7 | H71 | 133.2° | 25.0° |
| C4 | C5 | C7 | H72 | 23.7° | 145.1° |
| H4 | C4 | C5 | C6 | 179.5° | 179.8° |
| H4 | C4 | C5 | C7 | 1.1° | 0.1° |
| C5 | C6 | C1 | H6 | 180.0° | 179.6° |
| C5 | C6 | C1 | C17 | 179.6° | 179.7° |
| C6 | C5 | C7 | C9 | 77.8° | 85.3° |
| C6 | C5 | C7 | H71 | 47.4° | 154.7° |
| C6 | C5 | C7 | H72 | 156.9° | 34.7° |
| C7 | C5 | C6 | C1 | 179.0° | 179.8° |
| C7 | C5 | C6 | H6 | 0.9° | 0.2° |
| C5 | C7 | C9 | H71 | 125.3° | 120.0° |
| C5 | C7 | C9 | H72 | 125.3° | 120.0° |
| C5 | C7 | H71 | H72 | 116.5° | 120.1° |
| C5 | C7 | C9 | N1 | 179.5° | 59.8° |
| C5 | C7 | C9 | C11 | 57.2° | 60.2° |
| C5 | C7 | C9 | H9 | 60.1° | 179.8° |
| C6 | C1 | C17 | C18 | 73.8° | 5.3° |
| C6 | C1 | C17 | H17 | 106.3° | 174.7° |
| H6 | C6 | C1 | C17 | 0.4° | 0.2° |
| C1 | C17 | C18 | H17 | 180.0° | 180.0° |
| C1 | C17 | C18 | C19 | 170.5° | 174.4° |
| C1 | C17 | C18 | H18 | 9.5° | 5.5° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | O1 | 117.5° | 5.1° |
| C17 | C18 | C19 | N3 | 62.6° | 174.8° |
| H17 | C17 | C18 | C19 | 9.5° | 5.6° |
| H17 | C17 | C18 | H18 | 170.5° | 174.5° |
| C18 | C19 | O1 | N3 | 179.9° | 179.9° |
| C18 | C19 | N3 | HN31 | 180.0° | 0.1° |
| C18 | C19 | N3 | HN32 | 0.1° | 179.9° |
| H18 | C18 | C19 | O1 | 62.5° | 174.8° |
| H18 | C18 | C19 | N3 | 117.4° | 5.2° |
| O1 | C19 | N3 | HN31 | 0.1° | 180.0° |
| O1 | C19 | N3 | HN32 | 180.0° | 0.0° |
| C19 | N3 | HN31 | HN32 | 179.9° | 180.0° |
| C9 | C7 | H71 | H72 | 116.4° | 119.9° |
| C7 | C9 | N1 | C11 | 123.8° | 120.0° |
| C7 | C9 | N1 | H9 | 119.0° | 120.1° |
| C7 | C9 | C11 | H9 | 118.8° | 120.0° |
| C7 | C9 | N1 | S1 | 147.1° | 95.2° |
| C7 | C9 | N1 | HN1 | 21.8° | 84.7° |
| C7 | C9 | C11 | O8 | 86.6° | 100.0° |
| C7 | C9 | C11 | N2 | 92.7° | 80.0° |
| H71 | C7 | C9 | N1 | 54.2° | 179.8° |
| H71 | C7 | C9 | C11 | 177.6° | 59.8° |
| H71 | C7 | C9 | H9 | 65.2° | 60.1° |
| H72 | C7 | C9 | N1 | 55.2° | 60.2° |
| H72 | C7 | C9 | C11 | 68.1° | 179.8° |
| H72 | C7 | C9 | H9 | 174.7° | 59.8° |
| N1 | C9 | C11 | H9 | 119.3° | 120.0° |
| C9 | N1 | S1 | HN1 | 125.3° | 180.0° |
| C9 | N1 | S1 | O4 | 85.3° | 53.5° |
| C9 | N1 | S1 | O2 | 39.2° | 178.9° |
| C9 | N1 | S1 | C20 | 155.9° | 62.7° |
| N1 | C9 | C11 | O8 | 151.5° | 20.0° |
| N1 | C9 | C11 | N2 | 29.3° | 160.0° |
| C11 | C9 | N1 | S1 | 89.1° | 144.8° |
| C11 | C9 | N1 | HN1 | 145.6° | 35.3° |
| C9 | C11 | O8 | N2 | 179.2° | 180.0° |
| C9 | C11 | N2 | C12 | 179.5° | 180.0° |
| C9 | C11 | N2 | HN2 | 0.5° | 0.0° |
| H9 | C9 | N1 | S1 | 28.2° | 24.8° |
| H9 | C9 | N1 | HN1 | 97.1° | 155.2° |
| H9 | C9 | C11 | O8 | 32.2° | 140.0° |
| H9 | C9 | C11 | N2 | 148.5° | 40.0° |
| N1 | S1 | O4 | O2 | 114.8° | 114.2° |
| N1 | S1 | O4 | C20 | 116.9° | 110.0° |
| N1 | S1 | O2 | C20 | 116.2° | 110.0° |
| N1 | S1 | C20 | H201 | 54.7° | 60.0° |
| N1 | S1 | C20 | H202 | 180.0° | 180.0° |
| N1 | S1 | C20 | H203 | 54.7° | 60.0° |
| HN1 | N1 | S1 | O4 | 149.4° | 126.5° |
| HN1 | N1 | S1 | O2 | 86.1° | 1.1° |
| HN1 | N1 | S1 | C20 | 30.6° | 117.3° |
| O4 | S1 | O2 | C20 | 129.3° | 135.8° |
| O4 | S1 | C20 | H201 | 168.5° | 169.8° |
| O4 | S1 | C20 | H202 | 66.2° | 70.3° |
| O4 | S1 | C20 | H203 | 59.0° | 49.7° |
| O2 | S1 | C20 | H201 | 58.6° | 49.7° |
| O2 | S1 | C20 | H202 | 66.7° | 70.3° |
| O2 | S1 | C20 | H203 | 168.1° | 169.8° |
| S1 | C20 | H201 | H202 | 123.2° | 120.0° |
| S1 | C20 | H201 | H203 | 118.4° | 120.1° |
| S1 | C20 | H202 | H203 | 125.3° | 120.0° |
| H201 | C20 | H202 | H203 | 109.5° | 120.0° |
| O8 | C11 | N2 | C12 | 0.3° | 0.0° |
| O8 | C11 | N2 | HN2 | 179.7° | 180.0° |
| C11 | N2 | C12 | HN2 | 180.0° | 180.0° |
| C11 | N2 | C12 | C13 | 145.1° | 180.0° |
| C11 | N2 | C12 | H121 | 19.8° | 60.0° |
| C11 | N2 | C12 | H122 | 89.6° | 60.0° |
| N2 | C12 | C13 | H121 | 125.3° | 120.0° |
| N2 | C12 | C13 | H122 | 125.3° | 120.0° |
| N2 | C12 | H121 | H122 | 118.0° | 119.9° |
| N2 | C12 | C13 | C15 | 70.4° | 180.0° |
| N2 | C12 | C13 | H131 | 164.4° | 60.0° |
| N2 | C12 | C13 | H132 | 54.8° | 60.0° |
| HN2 | N2 | C12 | C13 | 34.9° | 0.0° |
| HN2 | N2 | C12 | H121 | 160.2° | 120.0° |
| HN2 | N2 | C12 | H122 | 90.3° | 120.1° |
| C13 | C12 | H121 | H122 | 118.0° | 120.0° |
| C12 | C13 | C15 | H131 | 125.2° | 120.0° |
| C12 | C13 | C15 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H132 | 117.1° | 120.0° |
| C12 | C13 | C15 | C14 | 149.7° | 180.0° |
| C12 | C13 | C15 | H151 | 24.4° | 60.0° |
| C12 | C13 | C15 | H152 | 85.0° | 60.0° |
| H121 | C12 | C13 | C15 | 54.9° | 60.0° |
| H121 | C12 | C13 | H131 | 70.4° | 179.9° |
| H121 | C12 | C13 | H132 | 179.9° | 60.0° |
| H122 | C12 | C13 | C15 | 164.3° | 60.0° |
| H122 | C12 | C13 | H131 | 39.1° | 60.0° |
| H122 | C12 | C13 | H132 | 70.4° | 180.0° |
| C15 | C13 | H131 | H132 | 117.0° | 120.0° |
| C13 | C15 | C14 | H151 | 125.3° | 120.1° |
| C13 | C15 | C14 | H152 | 125.3° | 120.0° |
| C13 | C15 | H151 | H152 | 117.0° | 120.0° |
| C13 | C15 | C14 | C16 | 150.3° | 180.0° |
| C13 | C15 | C14 | H141 | 25.1° | 59.9° |
| C13 | C15 | C14 | H142 | 84.4° | 60.0° |
| H131 | C13 | C15 | C14 | 85.1° | 60.0° |
| H131 | C13 | C15 | H151 | 149.7° | 180.0° |
| H131 | C13 | C15 | H152 | 40.2° | 60.0° |
| H132 | C13 | C15 | C14 | 24.5° | 60.0° |
| H132 | C13 | C15 | H151 | 100.8° | 60.0° |
| H132 | C13 | C15 | H152 | 149.7° | 180.0° |
| C14 | C15 | H151 | H152 | 117.0° | 119.9° |
| C15 | C14 | C16 | H141 | 125.3° | 120.0° |
| C15 | C14 | C16 | H142 | 125.3° | 120.0° |
| C15 | C14 | H141 | H142 | 117.0° | 119.9° |
| C15 | C14 | C16 | H161 | 54.7° | 180.0° |
| C15 | C14 | C16 | H162 | 180.0° | 60.0° |
| C15 | C14 | C16 | H163 | 54.7° | 60.0° |
| H151 | C15 | C14 | C16 | 84.4° | 60.0° |
| H151 | C15 | C14 | H141 | 150.4° | 180.0° |
| H151 | C15 | C14 | H142 | 40.9° | 60.1° |
| H152 | C15 | C14 | C16 | 25.0° | 59.9° |
| H152 | C15 | C14 | H141 | 100.2° | 60.1° |
| H152 | C15 | C14 | H142 | 150.3° | 180.0° |
| C16 | C14 | H141 | H142 | 117.0° | 120.0° |
| C14 | C16 | H161 | H162 | 126.0° | 120.1° |
| C14 | C16 | H161 | H163 | 117.0° | 120.0° |
| C14 | C16 | H162 | H163 | 125.3° | 120.1° |
| H141 | C14 | C16 | H161 | 180.0° | 60.0° |
| H141 | C14 | C16 | H162 | 54.7° | 60.0° |
| H141 | C14 | C16 | H163 | 70.5° | 179.9° |
| H142 | C14 | C16 | H161 | 70.5° | 60.0° |
| H142 | C14 | C16 | H162 | 54.7° | 180.0° |
| H142 | C14 | C16 | H163 | NaN° | 60.0° |
| H161 | C16 | H162 | H163 | 109.5° | 119.9° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| C27 | C26 | C25 | C30 | 0.2° | 0.5° |
| C27 | C26 | C25 | C31 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.2° |
| C25 | C26 | C27 | H27 | 179.8° | 179.8° |
| C26 | C25 | C30 | C29 | 0.2° | 0.5° |
| C26 | C25 | C30 | C31 | 179.8° | 179.5° |
| C26 | C25 | C30 | H30 | 179.8° | 179.7° |
| C26 | C25 | C31 | O9 | 133.9° | 6.5° |
| C26 | C25 | C31 | O10 | 44.6° | 173.5° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C27 | C28 | C29 | H29 | 179.8° | 179.9° |
| H27 | C27 | C28 | C29 | 179.8° | 180.0° |
| H27 | C27 | C28 | H28 | 0.2° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 0.2° | 0.3° |
| C28 | C29 | C30 | H30 | 179.8° | 179.9° |
| H28 | C28 | C29 | C30 | 179.8° | 180.0° |
| H28 | C28 | C29 | H29 | 0.2° | 0.1° |
| C29 | C30 | C25 | H30 | 180.0° | 179.8° |
| C29 | C30 | C25 | C31 | 179.9° | 180.0° |
| H29 | C29 | C30 | C25 | 179.8° | 179.7° |
| H29 | C29 | C30 | H30 | 0.2° | 0.1° |
| C30 | C25 | C31 | O9 | 46.2° | 174.0° |
| C30 | C25 | C31 | O10 | 135.2° | 6.0° |
| H30 | C30 | C25 | C31 | 0.0° | 0.2° |
| C25 | C31 | O9 | O10 | 178.7° | 179.9° |
| C25 | C31 | O10 | H10 | 180.0° | 174.9° |
| O9 | C31 | O10 | H10 | 1.5° | 5.0° |
