SRL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.45Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | C12 | sing | 1.51Å | 1.55Å | |
| C2 | C3 | sing | 1.39Å | 1.46Å | Aromatic |
| C2 | O11 | sing | 1.36Å | 1.32Å | |
| C3 | C4 | doub | 1.38Å | 1.45Å | Aromatic |
| C3 | C13 | sing | 1.51Å | 1.57Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.44Å | |
| C6 | HC6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.33Å | 1.31Å | |
| C7 | HC7 | sing | 1.08Å | 1.08Å | |
| C8 | P9 | sing | 1.81Å | 1.87Å | |
| C8 | P10 | sing | 1.81Å | 1.82Å | |
| P9 | O20 | doub | 1.48Å | 1.52Å | |
| P9 | O21 | sing | 1.61Å | 1.60Å | |
| P9 | O24 | sing | 1.61Å | 1.56Å | |
| P10 | O27 | doub | 1.48Å | 1.44Å | |
| P10 | O28 | sing | 1.61Å | 1.61Å | |
| P10 | O31 | sing | 1.61Å | 1.61Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C12 | C14 | sing | 1.53Å | 1.56Å | |
| C12 | C15 | sing | 1.53Å | 1.55Å | |
| C12 | C16 | sing | 1.53Å | 1.59Å | |
| C13 | C17 | sing | 1.53Å | 1.58Å | |
| C13 | C18 | sing | 1.53Å | 1.58Å | |
| C13 | C19 | sing | 1.53Å | 1.59Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| O21 | C22 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| O24 | C25 | sing | 1.43Å | 1.40Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| O28 | C29 | sing | 1.43Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| O31 | C32 | sing | 1.43Å | 1.38Å | |
| C32 | C33 | sing | 1.53Å | 1.49Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 113.6° | 120.1° |
| C2 | C1 | C12 | 126.3° | 120.0° |
| C1 | C2 | C3 | 126.8° | 120.1° |
| C1 | C2 | O11 | 117.2° | 119.9° |
| C6 | C1 | C12 | 120.2° | 120.0° |
| C1 | C6 | C5 | 123.8° | 119.9° |
| C1 | C6 | HC6 | 118.1° | 120.0° |
| C1 | C12 | C14 | 109.0° | 109.5° |
| C1 | C12 | C15 | 110.2° | 109.4° |
| C1 | C12 | C16 | 114.8° | 109.5° |
| C3 | C2 | O11 | 116.0° | 119.9° |
| C2 | C3 | C4 | 112.6° | 120.1° |
| C2 | C3 | C13 | 131.2° | 119.9° |
| C2 | O11 | H11 | 109.5° | 106.8° |
| C4 | C3 | C13 | 116.2° | 120.0° |
| C3 | C4 | C5 | 123.7° | 119.9° |
| C3 | C4 | HC4 | 118.2° | 120.0° |
| C3 | C13 | C17 | 109.2° | 109.4° |
| C3 | C13 | C18 | 116.5° | 109.5° |
| C3 | C13 | C19 | 109.5° | 109.4° |
| C5 | C4 | HC4 | 118.2° | 120.1° |
| C4 | C5 | C6 | 119.6° | 119.8° |
| C4 | C5 | C7 | 121.1° | 120.1° |
| C6 | C5 | C7 | 119.2° | 120.1° |
| C5 | C6 | HC6 | 118.1° | 120.0° |
| C5 | C7 | C8 | 120.2° | 119.9° |
| C5 | C7 | HC7 | 119.9° | 120.1° |
| C8 | C7 | HC7 | 119.9° | 120.0° |
| C7 | C8 | P9 | 116.3° | 120.0° |
| C7 | C8 | P10 | 126.3° | 120.0° |
| P9 | C8 | P10 | 117.1° | 120.0° |
| C8 | P9 | O20 | 106.4° | 109.5° |
| C8 | P9 | O21 | 108.7° | 109.5° |
| C8 | P9 | O24 | 117.3° | 109.5° |
| C8 | P10 | O27 | 118.8° | 109.5° |
| C8 | P10 | O28 | 107.6° | 109.5° |
| C8 | P10 | O31 | 107.8° | 109.4° |
| O20 | P9 | O21 | 104.1° | 109.4° |
| O20 | P9 | O24 | 103.7° | 109.5° |
| O21 | P9 | O24 | 115.3° | 109.5° |
| P9 | O21 | C22 | 114.1° | 106.8° |
| P9 | O24 | C25 | 115.9° | 106.9° |
| O27 | P10 | O28 | 109.0° | 109.5° |
| O27 | P10 | O31 | 111.2° | 109.5° |
| O28 | P10 | O31 | 100.9° | 109.4° |
| P10 | O28 | C29 | 110.7° | 106.8° |
| P10 | O31 | C32 | 112.2° | 106.7° |
| C14 | C12 | C15 | 111.0° | 109.4° |
| C14 | C12 | C16 | 104.8° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.4° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C15 | C12 | C16 | 107.0° | 109.4° |
| C12 | C15 | H151 | 109.5° | 109.4° |
| C12 | C15 | H152 | 109.4° | 109.5° |
| C12 | C15 | H153 | 109.5° | 109.5° |
| C12 | C16 | H161 | 109.5° | 109.5° |
| C12 | C16 | H162 | 109.5° | 109.5° |
| C12 | C16 | H163 | 109.5° | 109.5° |
| C17 | C13 | C18 | 105.7° | 109.5° |
| C17 | C13 | C19 | 108.4° | 109.4° |
| C13 | C17 | H171 | 109.5° | 109.5° |
| C13 | C17 | H172 | 109.5° | 109.5° |
| C13 | C17 | H173 | 109.5° | 109.5° |
| C18 | C13 | C19 | 107.2° | 109.5° |
| C13 | C18 | H181 | 109.5° | 109.5° |
| C13 | C18 | H182 | 109.5° | 109.5° |
| C13 | C18 | H183 | 109.5° | 109.5° |
| C13 | C19 | H191 | 109.5° | 109.5° |
| C13 | C19 | H192 | 109.5° | 109.4° |
| C13 | C19 | H193 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H163 | 109.4° | 109.4° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| O21 | C22 | C23 | 110.4° | 109.5° |
| O21 | C22 | H221 | 109.2° | 109.4° |
| O21 | C22 | H222 | 109.0° | 109.5° |
| C23 | C22 | H221 | 109.2° | 109.5° |
| C23 | C22 | H222 | 109.0° | 109.5° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.4° | 109.5° |
| H221 | C22 | H222 | 110.2° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H233 | 109.4° | 109.4° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| O24 | C25 | C26 | 109.2° | 109.5° |
| O24 | C25 | H251 | 109.5° | 109.4° |
| O24 | C25 | H252 | 109.6° | 109.5° |
| C26 | C25 | H251 | 109.5° | 109.5° |
| C26 | C25 | H252 | 109.6° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.3° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| O28 | C29 | C30 | 111.5° | 109.5° |
| O28 | C29 | H291 | 108.8° | 109.5° |
| O28 | C29 | H292 | 108.3° | 109.5° |
| C30 | C29 | H291 | 108.8° | 109.5° |
| C30 | C29 | H292 | 108.3° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.4° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| H291 | C29 | H292 | 111.1° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| O31 | C32 | C33 | 108.6° | 109.4° |
| O31 | C32 | H321 | 109.7° | 109.5° |
| O31 | C32 | H322 | 109.9° | 109.5° |
| C33 | C32 | H321 | 109.8° | 109.5° |
| C33 | C32 | H322 | 109.9° | 109.4° |
| C32 | C33 | H331 | 109.5° | 109.5° |
| C32 | C33 | H332 | 109.5° | 109.5° |
| C32 | C33 | H333 | 109.4° | 109.5° |
| H321 | C32 | H322 | 108.8° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C12 | 180.0° | 179.6° |
| C1 | C2 | C3 | O11 | 179.6° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | C13 | 179.7° | 179.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.7° |
| C2 | C1 | C6 | HC6 | 179.6° | 180.0° |
| C1 | C2 | O11 | H11 | 108.3° | 89.9° |
| C2 | C1 | C12 | C14 | 57.4° | 179.9° |
| C2 | C1 | C12 | C15 | 179.3° | 60.1° |
| C2 | C1 | C12 | C16 | 59.8° | 59.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.3° |
| C6 | C1 | C2 | O11 | 179.8° | 179.6° |
| C1 | C6 | C5 | C4 | 0.5° | 0.7° |
| C1 | C6 | C5 | HC6 | 180.0° | 179.3° |
| C1 | C6 | C5 | C7 | 178.6° | 179.7° |
| C6 | C1 | C12 | C14 | 122.6° | 0.3° |
| C6 | C1 | C12 | C15 | 0.7° | 120.3° |
| C6 | C1 | C12 | C16 | 120.2° | 119.8° |
| C12 | C1 | C2 | C3 | 179.8° | 180.0° |
| C12 | C1 | C2 | O11 | 0.2° | 0.0° |
| C12 | C1 | C6 | C5 | 179.6° | 179.7° |
| C12 | C1 | C6 | HC6 | 0.4° | 0.3° |
| C1 | C12 | C14 | C15 | 121.5° | 120.0° |
| C1 | C12 | C14 | C16 | 123.3° | 120.1° |
| C1 | C12 | C15 | C16 | 125.4° | 120.0° |
| C1 | C12 | C14 | H141 | 30.2° | 173.9° |
| C1 | C12 | C14 | H142 | 89.8° | 54.0° |
| C1 | C12 | C14 | H143 | 150.2° | 66.0° |
| C1 | C12 | C15 | H151 | 115.4° | 60.0° |
| C1 | C12 | C15 | H152 | 124.6° | 60.0° |
| C1 | C12 | C15 | H153 | 4.6° | 180.0° |
| C1 | C12 | C16 | H161 | 132.0° | 60.0° |
| C1 | C12 | C16 | H162 | 12.0° | 180.0° |
| C1 | C12 | C16 | H163 | 108.1° | 60.0° |
| C2 | C3 | C4 | C13 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | HC4 | 179.7° | 180.0° |
| C3 | C2 | O11 | H11 | 72.1° | 90.0° |
| C2 | C3 | C13 | C17 | 179.1° | 180.0° |
| C2 | C3 | C13 | C18 | 59.5° | 60.0° |
| C2 | C3 | C13 | C19 | 62.4° | 60.0° |
| O11 | C2 | C3 | C4 | 179.8° | 180.0° |
| O11 | C2 | C3 | C13 | 0.7° | 0.0° |
| C3 | C4 | C5 | HC4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.3° |
| C3 | C4 | C5 | C7 | 178.7° | 180.0° |
| C4 | C3 | C13 | C17 | 1.4° | 0.1° |
| C4 | C3 | C13 | C18 | 120.9° | 120.0° |
| C4 | C3 | C13 | C19 | 117.2° | 120.0° |
| C13 | C3 | C4 | C5 | 179.9° | 179.9° |
| C13 | C3 | C4 | HC4 | 0.1° | 0.1° |
| C3 | C13 | C17 | C18 | 126.0° | 120.1° |
| C3 | C13 | C17 | C19 | 119.3° | 119.9° |
| C3 | C13 | C18 | C19 | 123.1° | 120.0° |
| C3 | C13 | C17 | H171 | 74.5° | 59.9° |
| C3 | C13 | C17 | H172 | 165.5° | 60.1° |
| C3 | C13 | C17 | H173 | 45.5° | 180.0° |
| C3 | C13 | C18 | H181 | 52.0° | 60.0° |
| C3 | C13 | C18 | H182 | 68.0° | 179.9° |
| C3 | C13 | C18 | H183 | 171.9° | 60.0° |
| C3 | C13 | C19 | H191 | 162.4° | 179.9° |
| C3 | C13 | C19 | H192 | 42.4° | 60.0° |
| C3 | C13 | C19 | H193 | 77.6° | 59.9° |
| C4 | C5 | C6 | C7 | 179.1° | 179.6° |
| C4 | C5 | C6 | HC6 | 179.5° | 180.0° |
| C4 | C5 | C7 | C8 | 137.4° | 131.4° |
| C4 | C5 | C7 | HC7 | 42.6° | 48.6° |
| HC4 | C4 | C5 | C6 | 179.6° | 179.7° |
| HC4 | C4 | C5 | C7 | 1.3° | 0.0° |
| C6 | C5 | C7 | C8 | 41.7° | 49.0° |
| C6 | C5 | C7 | HC7 | 138.4° | 131.0° |
| C7 | C5 | C6 | HC6 | 1.4° | 0.4° |
| C5 | C7 | C8 | HC7 | 180.0° | 180.0° |
| C5 | C7 | C8 | P9 | 173.5° | 172.7° |
| C5 | C7 | C8 | P10 | 0.3° | 7.3° |
| C7 | C8 | P9 | P10 | 174.4° | 180.0° |
| C7 | C8 | P9 | O20 | 11.0° | 0.1° |
| C7 | C8 | P9 | O21 | 100.6° | 120.0° |
| C7 | C8 | P9 | O24 | 126.4° | 120.0° |
| C7 | C8 | P10 | O27 | 72.0° | 39.0° |
| C7 | C8 | P10 | O28 | 52.3° | 81.1° |
| C7 | C8 | P10 | O31 | 160.4° | 159.0° |
| HC7 | C7 | C8 | P9 | 6.5° | 7.3° |
| HC7 | C7 | C8 | P10 | 179.7° | 172.7° |
| C8 | P9 | O20 | O21 | 114.7° | 120.0° |
| C8 | P9 | O20 | O24 | 124.3° | 120.1° |
| C8 | P9 | O21 | O24 | 134.1° | 120.1° |
| P9 | C8 | P10 | O27 | 114.2° | 141.1° |
| P9 | C8 | P10 | O28 | 121.5° | 98.9° |
| P9 | C8 | P10 | O31 | 13.4° | 21.1° |
| C8 | P9 | O21 | C22 | 36.2° | 77.4° |
| C8 | P9 | O24 | C25 | 170.1° | 173.5° |
| P10 | C8 | P9 | O20 | 174.6° | 180.0° |
| P10 | C8 | P9 | O21 | 73.8° | 60.0° |
| P10 | C8 | P9 | O24 | 59.2° | 60.0° |
| C8 | P10 | O27 | O28 | 123.6° | 120.0° |
| C8 | P10 | O27 | O31 | 126.0° | 120.0° |
| C8 | P10 | O28 | O31 | 112.8° | 119.9° |
| C8 | P10 | O28 | C29 | 179.1° | 64.5° |
| C8 | P10 | O31 | C32 | 86.9° | 173.1° |
| O20 | P9 | O21 | O24 | 112.8° | 120.0° |
| O20 | P9 | O21 | C22 | 76.9° | 42.6° |
| O20 | P9 | O24 | C25 | 73.0° | 53.5° |
| P9 | O21 | C22 | C23 | 179.5° | 174.4° |
| P9 | O21 | C22 | H221 | 60.5° | 54.4° |
| P9 | O21 | C22 | H222 | 59.9° | 65.6° |
| O21 | P9 | O24 | C25 | 40.1° | 66.4° |
| O24 | P9 | O21 | C22 | 170.2° | 162.5° |
| P9 | O24 | C25 | C26 | 175.6° | 175.5° |
| P9 | O24 | C25 | H251 | 55.6° | 64.5° |
| P9 | O24 | C25 | H252 | 64.3° | 55.5° |
| O27 | P10 | O28 | O31 | 117.1° | 120.1° |
| O27 | P10 | O28 | C29 | 50.9° | 175.5° |
| O27 | P10 | O31 | C32 | 45.0° | 53.1° |
| P10 | O28 | C29 | C30 | 179.7° | 171.6° |
| P10 | O28 | C29 | H291 | 59.7° | 68.4° |
| P10 | O28 | C29 | H292 | 61.2° | 51.6° |
| O28 | P10 | O31 | C32 | 160.4° | 66.9° |
| O31 | P10 | O28 | C29 | 66.2° | 55.5° |
| P10 | O31 | C32 | C33 | 179.5° | 175.6° |
| P10 | O31 | C32 | H321 | 59.5° | 55.6° |
| P10 | O31 | C32 | H322 | 60.2° | 64.5° |
| C14 | C12 | C15 | C16 | 113.8° | 120.0° |
| C12 | C14 | H141 | H142 | 120.0° | 119.9° |
| C12 | C14 | H141 | H143 | 120.0° | 120.1° |
| C12 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C12 | C15 | H151 | 5.4° | 60.0° |
| C14 | C12 | C15 | H152 | 114.6° | 180.0° |
| C14 | C12 | C15 | H153 | 125.4° | 60.0° |
| C14 | C12 | C16 | H161 | 12.5° | 60.1° |
| C14 | C12 | C16 | H162 | 107.5° | 59.9° |
| C14 | C12 | C16 | H163 | 132.4° | 180.0° |
| C15 | C12 | C14 | H141 | 91.3° | 66.1° |
| C15 | C12 | C14 | H142 | 148.7° | 173.9° |
| C15 | C12 | C14 | H143 | 28.7° | 54.0° |
| C12 | C15 | H151 | H152 | 120.0° | 120.0° |
| C12 | C15 | H151 | H153 | 120.0° | 120.0° |
| C12 | C15 | H152 | H153 | 120.0° | 120.0° |
| C15 | C12 | C16 | H161 | 105.4° | 180.0° |
| C15 | C12 | C16 | H162 | 134.6° | 60.0° |
| C15 | C12 | C16 | H163 | 14.6° | 60.0° |
| C16 | C12 | C14 | H141 | 153.5° | 53.8° |
| C16 | C12 | C14 | H142 | 33.6° | 66.1° |
| C16 | C12 | C14 | H143 | 86.4° | 173.9° |
| C16 | C12 | C15 | H151 | 119.2° | 180.0° |
| C16 | C12 | C15 | H152 | 0.8° | 60.0° |
| C16 | C12 | C15 | H153 | 120.8° | 60.0° |
| C12 | C16 | H161 | H162 | 120.0° | 120.0° |
| C12 | C16 | H161 | H163 | 120.0° | 120.0° |
| C12 | C16 | H162 | H163 | 120.0° | 120.0° |
| C17 | C13 | C18 | C19 | 115.5° | 120.0° |
| C13 | C17 | H171 | H172 | 120.0° | 120.0° |
| C13 | C17 | H171 | H173 | 120.0° | 120.0° |
| C13 | C17 | H172 | H173 | 120.0° | 120.0° |
| C17 | C13 | C18 | H181 | 69.5° | 179.9° |
| C17 | C13 | C18 | H182 | 170.5° | 60.0° |
| C17 | C13 | C18 | H183 | 50.5° | 60.0° |
| C17 | C13 | C19 | H191 | 78.5° | 60.0° |
| C17 | C13 | C19 | H192 | 161.5° | 180.0° |
| C17 | C13 | C19 | H193 | 41.5° | 60.0° |
| C18 | C13 | C17 | H171 | 51.6° | 180.0° |
| C18 | C13 | C17 | H172 | 68.4° | 60.0° |
| C18 | C13 | C17 | H173 | 171.5° | 60.0° |
| C13 | C18 | H181 | H182 | 120.0° | 120.0° |
| C13 | C18 | H181 | H183 | 120.0° | 120.0° |
| C13 | C18 | H182 | H183 | 120.0° | 120.1° |
| C18 | C13 | C19 | H191 | 35.2° | 60.0° |
| C18 | C13 | C19 | H192 | 84.8° | 60.0° |
| C18 | C13 | C19 | H193 | 155.2° | 180.0° |
| C19 | C13 | C17 | H171 | 166.3° | 60.0° |
| C19 | C13 | C17 | H172 | 46.3° | 180.0° |
| C19 | C13 | C17 | H173 | 73.8° | 60.0° |
| C19 | C13 | C18 | H181 | 175.0° | 60.0° |
| C19 | C13 | C18 | H182 | 55.0° | 59.9° |
| C19 | C13 | C18 | H183 | 65.0° | 180.0° |
| C13 | C19 | H191 | H192 | 120.0° | 120.0° |
| C13 | C19 | H191 | H193 | 120.0° | 120.0° |
| C13 | C19 | H192 | H193 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H161 | C16 | H162 | H163 | 120.0° | 119.9° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| O21 | C22 | C23 | H221 | 120.0° | 120.0° |
| O21 | C22 | C23 | H222 | 119.6° | 120.0° |
| O21 | C22 | H221 | H222 | 119.6° | 120.0° |
| O21 | C22 | C23 | H231 | 8.5° | 180.0° |
| O21 | C22 | C23 | H232 | 128.5° | 60.0° |
| O21 | C22 | C23 | H233 | 111.5° | 60.0° |
| C23 | C22 | H221 | H222 | 119.6° | 120.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H233 | 119.9° | 120.0° |
| C22 | C23 | H232 | H233 | 120.0° | 120.0° |
| H221 | C22 | C23 | H231 | 111.5° | 60.0° |
| H221 | C22 | C23 | H232 | 8.5° | 60.0° |
| H221 | C22 | C23 | H233 | 128.5° | 180.0° |
| H222 | C22 | C23 | H231 | 128.1° | 60.0° |
| H222 | C22 | C23 | H232 | 111.9° | 180.0° |
| H222 | C22 | C23 | H233 | 8.1° | 60.0° |
| H231 | C23 | H232 | H233 | 120.0° | 119.9° |
| O24 | C25 | C26 | H251 | 120.0° | 120.0° |
| O24 | C25 | C26 | H252 | 120.1° | 120.0° |
| O24 | C25 | H251 | H252 | 120.1° | 120.0° |
| O24 | C25 | C26 | H261 | 45.3° | 180.0° |
| O24 | C25 | C26 | H262 | 74.8° | 60.0° |
| O24 | C25 | C26 | H263 | 165.3° | 60.0° |
| C26 | C25 | H251 | H252 | 120.1° | 120.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| H251 | C25 | C26 | H261 | 165.3° | 60.0° |
| H251 | C25 | C26 | H262 | 45.2° | 180.0° |
| H251 | C25 | C26 | H263 | 74.7° | 60.0° |
| H252 | C25 | C26 | H261 | 74.8° | 60.0° |
| H252 | C25 | C26 | H262 | 165.1° | 60.0° |
| H252 | C25 | C26 | H263 | 45.2° | 180.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| O28 | C29 | C30 | H291 | 120.0° | 120.0° |
| O28 | C29 | C30 | H292 | 119.1° | 120.0° |
| O28 | C29 | H291 | H292 | 119.2° | 120.0° |
| O28 | C29 | C30 | H301 | 108.2° | 180.0° |
| O28 | C29 | C30 | H302 | 131.8° | 60.0° |
| O28 | C29 | C30 | H303 | 11.8° | 60.0° |
| C30 | C29 | H291 | H292 | 119.2° | 120.0° |
| C29 | C30 | H301 | H302 | 120.0° | 120.1° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 11.8° | 60.0° |
| H291 | C29 | C30 | H302 | 108.2° | 180.0° |
| H291 | C29 | C30 | H303 | 131.8° | 60.0° |
| H292 | C29 | C30 | H301 | 132.7° | 60.0° |
| H292 | C29 | C30 | H302 | 12.7° | 60.0° |
| H292 | C29 | C30 | H303 | 107.4° | 180.0° |
| H301 | C30 | H302 | H303 | 120.0° | 119.9° |
| O31 | C32 | C33 | H321 | 120.0° | 120.0° |
| O31 | C32 | C33 | H322 | 120.3° | 120.0° |
| O31 | C32 | H321 | H322 | 120.3° | 120.0° |
| O31 | C32 | C33 | H331 | 176.3° | 180.0° |
| O31 | C32 | C33 | H332 | 56.4° | 60.0° |
| O31 | C32 | C33 | H333 | 63.7° | 60.0° |
| C33 | C32 | H321 | H322 | 120.4° | 120.0° |
| C32 | C33 | H331 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | H333 | 120.0° | 120.0° |
| C32 | C33 | H332 | H333 | 120.0° | 120.0° |
| H321 | C32 | C33 | H331 | 63.7° | 60.0° |
| H321 | C32 | C33 | H332 | 176.4° | 180.0° |
| H321 | C32 | C33 | H333 | 56.3° | 60.0° |
| H322 | C32 | C33 | H331 | 56.0° | 60.0° |
| H322 | C32 | C33 | H332 | 63.9° | 60.0° |
| H322 | C32 | C33 | H333 | 176.0° | 180.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
