PQN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.42Å | |
| C1 | C2 | sing | 1.48Å | 1.44Å | |
| C1 | C10 | sing | 1.48Å | 1.43Å | |
| C2 | C2M | sing | 1.51Å | 1.36Å | |
| C2 | C3 | doub | 1.34Å | 1.46Å | |
| C2M | H2M1 | sing | 1.09Å | 1.11Å | |
| C2M | H2M2 | sing | 1.09Å | 1.12Å | |
| C2M | H2M3 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.47Å | 1.43Å | |
| C3 | C11 | sing | 1.51Å | 1.55Å | |
| C4 | O4 | doub | 1.21Å | 1.42Å | |
| C4 | C5 | sing | 1.48Å | 1.43Å | |
| C5 | C6 | doub | 1.39Å | 1.44Å | Aromatic |
| C5 | C10 | sing | 1.41Å | 1.46Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.38Å | 1.44Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | doub | 1.31Å | 1.52Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C13 | C15 | sing | 1.51Å | 1.56Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.35Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.55Å | |
| C18 | H18 | sing | 1.09Å | 1.11Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.12Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C30 | H303 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.5° | 120.2° |
| O1 | C1 | C10 | 119.9° | 120.1° |
| C2 | C1 | C10 | 120.6° | 119.7° |
| C1 | C2 | C2M | 119.0° | 119.5° |
| C1 | C2 | C3 | 119.5° | 120.9° |
| C1 | C10 | C5 | 119.9° | 119.4° |
| C1 | C10 | C9 | 120.6° | 120.9° |
| C2M | C2 | C3 | 121.6° | 119.6° |
| C2 | C2M | H2M1 | 118.9° | 109.5° |
| C2 | C2M | H2M2 | 108.8° | 109.5° |
| C2 | C2M | H2M3 | 108.8° | 109.5° |
| C2 | C3 | C4 | 119.8° | 120.9° |
| C2 | C3 | C11 | 121.8° | 119.5° |
| H2M1 | C2M | H2M2 | 108.7° | 109.5° |
| H2M1 | C2M | H2M3 | 108.8° | 109.5° |
| H2M2 | C2M | H2M3 | 101.2° | 109.4° |
| C4 | C3 | C11 | 118.5° | 119.6° |
| C3 | C4 | O4 | 119.5° | 120.2° |
| C3 | C4 | C5 | 120.5° | 119.8° |
| C3 | C11 | C12 | 108.7° | 109.5° |
| C3 | C11 | H111 | 112.5° | 109.5° |
| C3 | C11 | H112 | 112.5° | 109.4° |
| O4 | C4 | C5 | 120.0° | 120.1° |
| C4 | C5 | C6 | 120.5° | 120.9° |
| C4 | C5 | C10 | 119.8° | 119.3° |
| C6 | C5 | C10 | 119.6° | 119.8° |
| C5 | C6 | C7 | 120.1° | 119.7° |
| C5 | C6 | H6 | 120.4° | 120.1° |
| C5 | C10 | C9 | 119.5° | 119.8° |
| C7 | C6 | H6 | 119.5° | 120.1° |
| C6 | C7 | C8 | 120.1° | 120.5° |
| C6 | C7 | H7 | 119.7° | 119.8° |
| C8 | C7 | H7 | 120.2° | 119.7° |
| C7 | C8 | C9 | 120.3° | 120.4° |
| C7 | C8 | H8 | 120.0° | 119.8° |
| C9 | C8 | H8 | 119.7° | 119.8° |
| C8 | C9 | C10 | 120.4° | 119.8° |
| C8 | C9 | H9 | 119.8° | 120.1° |
| C10 | C9 | H9 | 119.8° | 120.1° |
| C12 | C11 | H111 | 112.5° | 109.6° |
| C12 | C11 | H112 | 112.5° | 109.4° |
| C11 | C12 | C13 | 113.3° | 120.1° |
| C11 | C12 | H12 | 123.8° | 119.9° |
| H111 | C11 | H112 | 97.9° | 109.4° |
| C13 | C12 | H12 | 122.8° | 120.0° |
| C12 | C13 | C14 | 125.8° | 120.0° |
| C12 | C13 | C15 | 106.4° | 120.1° |
| C14 | C13 | C15 | 127.8° | 119.9° |
| C13 | C14 | H141 | 125.8° | 109.5° |
| C13 | C14 | H142 | 106.5° | 109.4° |
| C13 | C14 | H143 | 106.5° | 109.4° |
| C13 | C15 | C16 | 115.0° | 109.5° |
| C13 | C15 | H151 | 110.2° | 109.5° |
| C13 | C15 | H152 | 110.2° | 109.5° |
| H141 | C14 | H142 | 106.5° | 109.5° |
| H141 | C14 | H143 | 106.4° | 109.5° |
| H142 | C14 | H143 | 103.0° | 109.5° |
| C16 | C15 | H151 | 110.2° | 109.4° |
| C16 | C15 | H152 | 110.2° | 109.5° |
| C15 | C16 | C17 | 108.8° | 109.5° |
| C15 | C16 | H161 | 112.5° | 109.4° |
| C15 | C16 | H162 | 112.5° | 109.5° |
| H151 | C15 | H152 | 100.1° | 109.4° |
| C17 | C16 | H161 | 112.5° | 109.5° |
| C17 | C16 | H162 | 112.5° | 109.5° |
| C16 | C17 | C18 | 111.4° | 109.5° |
| C16 | C17 | H171 | 111.5° | 109.4° |
| C16 | C17 | H172 | 111.5° | 109.5° |
| H161 | C16 | H162 | 98.0° | 109.4° |
| C18 | C17 | H171 | 111.5° | 109.4° |
| C18 | C17 | H172 | 111.5° | 109.5° |
| C17 | C18 | C19 | 107.6° | 109.5° |
| C17 | C18 | C20 | 109.9° | 109.5° |
| C17 | C18 | H18 | 110.5° | 109.4° |
| H171 | C17 | H172 | 98.8° | 109.5° |
| C19 | C18 | C20 | 109.7° | 109.5° |
| C19 | C18 | H18 | 110.7° | 109.5° |
| C18 | C19 | H191 | 107.6° | 109.4° |
| C18 | C19 | H192 | 112.9° | 109.5° |
| C18 | C19 | H193 | 112.9° | 109.4° |
| C20 | C18 | H18 | 108.4° | 109.4° |
| C18 | C20 | C21 | 110.6° | 109.5° |
| C18 | C20 | H201 | 111.8° | 109.4° |
| C18 | C20 | H202 | 111.8° | 109.5° |
| H191 | C19 | H192 | 112.9° | 109.5° |
| H191 | C19 | H193 | 113.0° | 109.5° |
| H192 | C19 | H193 | 97.5° | 109.6° |
| C21 | C20 | H201 | 111.8° | 109.4° |
| C21 | C20 | H202 | 111.8° | 109.5° |
| C20 | C21 | C22 | 109.6° | 109.5° |
| C20 | C21 | H211 | 112.2° | 109.4° |
| C20 | C21 | H212 | 112.1° | 109.5° |
| H201 | C20 | H202 | 98.5° | 109.4° |
| C22 | C21 | H211 | 112.1° | 109.4° |
| C22 | C21 | H212 | 112.2° | 109.5° |
| C21 | C22 | C23 | 113.3° | 109.5° |
| C21 | C22 | H221 | 110.8° | 109.4° |
| C21 | C22 | H222 | 110.8° | 109.5° |
| H211 | C21 | H212 | 98.3° | 109.5° |
| C23 | C22 | H221 | 110.8° | 109.4° |
| C23 | C22 | H222 | 110.8° | 109.5° |
| C22 | C23 | C24 | 110.4° | 109.5° |
| C22 | C23 | C25 | 109.8° | 109.5° |
| C22 | C23 | H23 | 108.5° | 109.4° |
| H221 | C22 | H222 | 99.5° | 109.5° |
| C24 | C23 | C25 | 109.3° | 109.5° |
| C24 | C23 | H23 | 109.2° | 109.5° |
| C23 | C24 | H241 | 110.3° | 109.4° |
| C23 | C24 | H242 | 111.9° | 109.5° |
| C23 | C24 | H243 | 111.8° | 109.5° |
| C25 | C23 | H23 | 109.7° | 109.4° |
| C23 | C25 | C26 | 110.4° | 109.5° |
| C23 | C25 | H251 | 111.8° | 109.4° |
| C23 | C25 | H252 | 111.9° | 109.5° |
| H241 | C24 | H242 | 112.0° | 109.5° |
| H241 | C24 | H243 | 111.9° | 109.5° |
| H242 | C24 | H243 | 98.5° | 109.5° |
| C26 | C25 | H251 | 111.9° | 109.4° |
| C26 | C25 | H252 | 111.9° | 109.5° |
| C25 | C26 | C27 | 107.3° | 109.5° |
| C25 | C26 | H261 | 113.0° | 109.4° |
| C25 | C26 | H262 | 113.0° | 109.4° |
| H251 | C25 | H252 | 98.5° | 109.4° |
| C27 | C26 | H261 | 113.1° | 109.4° |
| C27 | C26 | H262 | 113.1° | 109.6° |
| C26 | C27 | C28 | 111.3° | 109.5° |
| C26 | C27 | H271 | 111.5° | 109.4° |
| C26 | C27 | H272 | 111.5° | 109.5° |
| H261 | C26 | H262 | 97.4° | 109.4° |
| C28 | C27 | H271 | 111.5° | 109.4° |
| C28 | C27 | H272 | 111.5° | 109.5° |
| C27 | C28 | C29 | 107.4° | 109.5° |
| C27 | C28 | C30 | 111.0° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.4° |
| H271 | C27 | H272 | 98.8° | 109.5° |
| C29 | C28 | C30 | 108.5° | 109.5° |
| C29 | C28 | H28 | 112.0° | 109.4° |
| C28 | C29 | H291 | 107.3° | 109.5° |
| C28 | C29 | H292 | 113.0° | 109.5° |
| C28 | C29 | H293 | 113.0° | 109.4° |
| C30 | C28 | H28 | 108.5° | 109.4° |
| C28 | C30 | H301 | 110.9° | 109.4° |
| C28 | C30 | H302 | 111.7° | 109.5° |
| C28 | C30 | H303 | 111.6° | 109.5° |
| H291 | C29 | H292 | 113.0° | 109.6° |
| H291 | C29 | H293 | 113.1° | 109.4° |
| H292 | C29 | H293 | 97.4° | 109.4° |
| H301 | C30 | H302 | 111.7° | 109.4° |
| H301 | C30 | H303 | 111.7° | 109.5° |
| H302 | C30 | H303 | 98.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C10 | 179.4° | 180.0° |
| O1 | C1 | C2 | C2M | 1.1° | 0.0° |
| O1 | C1 | C2 | C3 | 179.7° | 179.9° |
| O1 | C1 | C10 | C5 | 179.8° | 180.0° |
| O1 | C1 | C10 | C9 | 0.2° | 0.0° |
| C1 | C2 | C2M | C3 | 179.2° | 179.9° |
| C1 | C2 | C2M | H2M1 | 179.9° | 0.0° |
| C1 | C2 | C2M | H2M2 | 54.8° | 120.1° |
| C1 | C2 | C2M | H2M3 | 54.7° | 120.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.2° |
| C1 | C2 | C3 | C11 | 179.9° | 180.0° |
| C2 | C1 | C10 | C5 | 0.4° | 0.0° |
| C2 | C1 | C10 | C9 | 179.6° | 180.0° |
| C10 | C1 | C2 | C2M | 178.3° | 180.0° |
| C10 | C1 | C2 | C3 | 0.9° | 0.0° |
| C1 | C10 | C5 | C4 | 0.5° | 0.3° |
| C1 | C10 | C5 | C6 | 180.0° | 180.0° |
| C1 | C10 | C5 | C9 | 180.0° | 180.0° |
| C1 | C10 | C9 | C8 | 179.9° | 180.0° |
| C1 | C10 | C9 | H9 | 0.1° | 0.1° |
| C2 | C2M | H2M1 | H2M2 | 125.2° | 120.0° |
| C2 | C2M | H2M1 | H2M3 | 125.3° | 120.0° |
| C2 | C2M | H2M2 | H2M3 | 114.5° | 120.0° |
| C2M | C2 | C3 | C4 | 178.7° | 179.7° |
| C2M | C2 | C3 | C11 | 0.7° | 0.0° |
| C3 | C2 | C2M | H2M1 | 0.9° | 180.0° |
| C3 | C2 | C2M | H2M2 | 126.1° | 60.0° |
| C3 | C2 | C2M | H2M3 | 124.4° | 59.9° |
| C2 | C3 | C4 | C11 | 179.4° | 179.8° |
| C2 | C3 | C4 | O4 | 178.2° | 179.8° |
| C2 | C3 | C4 | C5 | 0.4° | 0.5° |
| C2 | C3 | C11 | C12 | 79.2° | 90.0° |
| C2 | C3 | C11 | H111 | 155.5° | 30.1° |
| C2 | C3 | C11 | H112 | 46.1° | 150.0° |
| H2M1 | C2M | H2M2 | H2M3 | 114.5° | 120.0° |
| C3 | C4 | O4 | C5 | 178.6° | 179.7° |
| C3 | C4 | C5 | C6 | 179.6° | 179.7° |
| C3 | C4 | C5 | C10 | 0.9° | 0.6° |
| C4 | C3 | C11 | C12 | 100.2° | 90.2° |
| C4 | C3 | C11 | H111 | 25.1° | 149.6° |
| C4 | C3 | C11 | H112 | 134.5° | 29.7° |
| C11 | C3 | C4 | O4 | 2.4° | 0.0° |
| C11 | C3 | C4 | C5 | 179.0° | 179.7° |
| C3 | C11 | C12 | H111 | 125.3° | 120.1° |
| C3 | C11 | C12 | H112 | 125.3° | 119.9° |
| C3 | C11 | H111 | H112 | 118.4° | 119.9° |
| C3 | C11 | C12 | C13 | 128.6° | 125.5° |
| C3 | C11 | C12 | H12 | 51.4° | 54.5° |
| O4 | C4 | C5 | C6 | 1.8° | 0.0° |
| O4 | C4 | C5 | C10 | 177.7° | 179.7° |
| C4 | C5 | C6 | C10 | 179.5° | 179.7° |
| C4 | C5 | C6 | C7 | 179.6° | 179.7° |
| C4 | C5 | C6 | H6 | 0.3° | 0.3° |
| C4 | C5 | C10 | C9 | 179.5° | 179.7° |
| C5 | C6 | C7 | H6 | 179.9° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C10 | C9 | 0.0° | 0.0° |
| C10 | C5 | C6 | C7 | 0.1° | 0.0° |
| C10 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C10 | C9 | C8 | 0.1° | 0.0° |
| C5 | C10 | C9 | H9 | 179.9° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 179.9° |
| H6 | C6 | C7 | C8 | 179.8° | 180.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| H7 | C7 | C8 | C9 | 180.0° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| H8 | C8 | C9 | C10 | 180.0° | 179.9° |
| H8 | C8 | C9 | H9 | 0.0° | 0.0° |
| C12 | C11 | H111 | H112 | 118.4° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.9° | 5.5° |
| C11 | C12 | C13 | C15 | 179.7° | 174.5° |
| H111 | C11 | C12 | C13 | 3.3° | 114.4° |
| H111 | C11 | C12 | H12 | 176.7° | 65.6° |
| H112 | C11 | C12 | C13 | 106.1° | 5.6° |
| H112 | C11 | C12 | H12 | 73.8° | 174.4° |
| C12 | C13 | C14 | C15 | 178.0° | 180.0° |
| C12 | C13 | C14 | H141 | 180.0° | 174.9° |
| C12 | C13 | C14 | H142 | 54.7° | 65.0° |
| C12 | C13 | C14 | H143 | 54.7° | 54.9° |
| C12 | C13 | C15 | C16 | 168.7° | 89.9° |
| C12 | C13 | C15 | H151 | 43.5° | 30.0° |
| C12 | C13 | C15 | H152 | 66.0° | 150.0° |
| H12 | C12 | C13 | C14 | 178.1° | 174.4° |
| H12 | C12 | C13 | C15 | 0.2° | 5.6° |
| C13 | C14 | H141 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H143 | 125.3° | 120.0° |
| C13 | C14 | H142 | H143 | 111.9° | 119.9° |
| C14 | C13 | C15 | C16 | 13.0° | 90.1° |
| C14 | C13 | C15 | H151 | 138.2° | 150.0° |
| C14 | C13 | C15 | H152 | 112.3° | 30.0° |
| C15 | C13 | C14 | H141 | 2.0° | 5.1° |
| C15 | C13 | C14 | H142 | 123.3° | 115.0° |
| C15 | C13 | C14 | H143 | 127.2° | 125.1° |
| C13 | C15 | C16 | H151 | 125.2° | 119.9° |
| C13 | C15 | C16 | H152 | 125.3° | 120.1° |
| C13 | C15 | H151 | H152 | 116.0° | 120.0° |
| C13 | C15 | C16 | C17 | 100.3° | 180.0° |
| C13 | C15 | C16 | H161 | 134.5° | 60.1° |
| C13 | C15 | C16 | H162 | 25.0° | 59.9° |
| H141 | C14 | H142 | H143 | 111.8° | 120.0° |
| C16 | C15 | H151 | H152 | 116.1° | 120.0° |
| C15 | C16 | C17 | H161 | 125.3° | 119.9° |
| C15 | C16 | C17 | H162 | 125.3° | 120.1° |
| C15 | C16 | H161 | H162 | 118.4° | 120.0° |
| C15 | C16 | C17 | C18 | 144.3° | 180.0° |
| C15 | C16 | C17 | H171 | 90.4° | 60.1° |
| C15 | C16 | C17 | H172 | 19.0° | 59.9° |
| H151 | C15 | C16 | C17 | 25.0° | 60.1° |
| H151 | C15 | C16 | H161 | 100.3° | 180.0° |
| H151 | C15 | C16 | H162 | 150.2° | 60.1° |
| H152 | C15 | C16 | C17 | 134.5° | 59.9° |
| H152 | C15 | C16 | H161 | 9.2° | 60.1° |
| H152 | C15 | C16 | H162 | 100.3° | 180.0° |
| C17 | C16 | H161 | H162 | 118.4° | 120.0° |
| C16 | C17 | C18 | H171 | 125.3° | 119.9° |
| C16 | C17 | C18 | H172 | 125.3° | 120.1° |
| C16 | C17 | H171 | H172 | 117.4° | 120.0° |
| C16 | C17 | C18 | C19 | 144.7° | 59.9° |
| C16 | C17 | C18 | C20 | 95.9° | 180.0° |
| C16 | C17 | C18 | H18 | 23.7° | 60.1° |
| H161 | C16 | C17 | C18 | 19.1° | 60.1° |
| H161 | C16 | C17 | H171 | 144.3° | 180.0° |
| H161 | C16 | C17 | H172 | 106.3° | 60.0° |
| H162 | C16 | C17 | C18 | 90.4° | 59.9° |
| H162 | C16 | C17 | H171 | 34.9° | 60.0° |
| H162 | C16 | C17 | H172 | 144.2° | NaN° |
| C18 | C17 | H171 | H172 | 117.4° | 120.0° |
| C17 | C18 | C19 | C20 | 119.6° | 120.1° |
| C17 | C18 | C19 | H18 | 120.9° | 120.0° |
| C17 | C18 | C20 | H18 | 120.9° | 119.9° |
| C17 | C18 | C19 | H191 | 180.0° | 60.0° |
| C17 | C18 | C19 | H192 | 54.7° | 59.9° |
| C17 | C18 | C19 | H193 | 54.7° | 180.0° |
| C17 | C18 | C20 | C21 | 175.2° | 180.0° |
| C17 | C18 | C20 | H201 | 59.4° | 60.1° |
| C17 | C18 | C20 | H202 | 50.0° | 59.9° |
| H171 | C17 | C18 | C19 | 90.0° | 60.0° |
| H171 | C17 | C18 | C20 | 29.4° | 60.1° |
| H171 | C17 | C18 | H18 | 149.0° | 180.0° |
| H172 | C17 | C18 | C19 | 19.4° | 180.0° |
| H172 | C17 | C18 | C20 | 138.8° | 59.9° |
| H172 | C17 | C18 | H18 | 101.6° | 60.0° |
| C19 | C18 | C20 | H18 | 121.0° | 120.0° |
| C18 | C19 | H191 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H193 | 125.2° | 119.9° |
| C18 | C19 | H192 | H193 | 118.8° | 120.0° |
| C19 | C18 | C20 | C21 | 57.1° | 59.9° |
| C19 | C18 | C20 | H201 | 177.5° | 60.0° |
| C19 | C18 | C20 | H202 | 68.1° | 180.0° |
| C20 | C18 | C19 | H191 | 60.4° | 60.0° |
| C20 | C18 | C19 | H192 | 64.8° | 180.0° |
| C20 | C18 | C19 | H193 | 174.3° | 59.9° |
| C18 | C20 | C21 | H201 | 125.3° | 119.9° |
| C18 | C20 | C21 | H202 | 125.3° | 120.1° |
| C18 | C20 | H201 | H202 | 117.7° | 120.0° |
| C18 | C20 | C21 | C22 | 154.7° | 180.0° |
| C18 | C20 | C21 | H211 | 29.5° | 60.1° |
| C18 | C20 | C21 | H212 | 80.0° | 59.9° |
| H18 | C18 | C19 | H191 | 59.2° | 180.0° |
| H18 | C18 | C19 | H192 | 175.6° | 60.1° |
| H18 | C18 | C19 | H193 | 66.1° | 60.0° |
| H18 | C18 | C20 | C21 | 63.9° | 60.1° |
| H18 | C18 | C20 | H201 | 61.4° | 180.0° |
| H18 | C18 | C20 | H202 | 170.9° | 60.0° |
| H191 | C19 | H192 | H193 | 118.9° | 120.1° |
| C21 | C20 | H201 | H202 | 117.7° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 119.9° |
| C20 | C21 | C22 | H212 | 125.2° | 120.1° |
| C20 | C21 | H211 | H212 | 118.1° | 120.0° |
| C20 | C21 | C22 | C23 | 177.7° | 180.0° |
| C20 | C21 | C22 | H221 | 57.1° | 60.1° |
| C20 | C21 | C22 | H222 | 52.4° | 59.9° |
| H201 | C20 | C21 | C22 | 79.9° | 60.1° |
| H201 | C20 | C21 | H211 | 154.8° | 180.0° |
| H201 | C20 | C21 | H212 | 45.3° | 60.0° |
| H202 | C20 | C21 | C22 | 29.5° | 59.9° |
| H202 | C20 | C21 | H211 | 95.8° | 60.1° |
| H202 | C20 | C21 | H212 | 154.7° | 180.0° |
| C22 | C21 | H211 | H212 | 118.1° | 120.1° |
| C21 | C22 | C23 | H221 | 125.3° | 119.9° |
| C21 | C22 | C23 | H222 | 125.3° | 120.1° |
| C21 | C22 | H221 | H222 | 116.7° | 120.0° |
| C21 | C22 | C23 | C24 | 49.3° | 59.9° |
| C21 | C22 | C23 | C25 | 71.2° | 180.0° |
| C21 | C22 | C23 | H23 | 168.9° | 60.1° |
| H211 | C21 | C22 | C23 | 52.4° | 60.1° |
| H211 | C21 | C22 | H221 | 177.7° | 180.0° |
| H211 | C21 | C22 | H222 | 72.9° | 60.0° |
| H212 | C21 | C22 | C23 | 57.1° | 59.9° |
| H212 | C21 | C22 | H221 | 68.1° | 60.0° |
| H212 | C21 | C22 | H222 | 177.6° | 180.0° |
| C23 | C22 | H221 | H222 | 116.7° | 120.0° |
| C22 | C23 | C24 | C25 | 120.8° | 120.1° |
| C22 | C23 | C24 | H23 | 119.2° | 120.0° |
| C22 | C23 | C25 | H23 | 119.2° | 119.9° |
| C22 | C23 | C24 | H241 | 180.0° | 60.0° |
| C22 | C23 | C24 | H242 | 54.7° | 60.0° |
| C22 | C23 | C24 | H243 | 54.8° | 180.0° |
| C22 | C23 | C25 | C26 | 166.6° | 180.0° |
| C22 | C23 | C25 | H251 | 41.3° | 60.1° |
| C22 | C23 | C25 | H252 | 68.1° | 59.9° |
| H221 | C22 | C23 | C24 | 76.0° | 60.0° |
| H221 | C22 | C23 | C25 | 163.5° | 60.1° |
| H221 | C22 | C23 | H23 | 43.6° | 180.0° |
| H222 | C22 | C23 | C24 | 174.6° | 180.0° |
| H222 | C22 | C23 | C25 | 54.1° | 59.9° |
| H222 | C22 | C23 | H23 | 65.8° | 60.0° |
| C24 | C23 | C25 | H23 | 119.6° | 120.0° |
| C23 | C24 | H241 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H243 | 125.2° | 120.0° |
| C23 | C24 | H242 | H243 | 117.7° | 120.0° |
| C24 | C23 | C25 | C26 | 72.2° | 59.9° |
| C24 | C23 | C25 | H251 | 162.5° | 60.0° |
| C24 | C23 | C25 | H252 | 53.1° | 180.0° |
| C25 | C23 | C24 | H241 | 59.2° | 60.1° |
| C25 | C23 | C24 | H242 | 66.2° | 180.0° |
| C25 | C23 | C24 | H243 | 175.6° | 60.0° |
| C23 | C25 | C26 | H251 | 125.2° | 120.0° |
| C23 | C25 | C26 | H252 | 125.3° | 120.1° |
| C23 | C25 | H251 | H252 | 117.8° | 120.0° |
| C23 | C25 | C26 | C27 | 169.1° | 180.0° |
| C23 | C25 | C26 | H261 | 43.8° | 60.0° |
| C23 | C25 | C26 | H262 | 65.6° | 59.9° |
| H23 | C23 | C24 | H241 | 60.8° | 180.0° |
| H23 | C23 | C24 | H242 | 173.9° | 60.0° |
| H23 | C23 | C24 | H243 | 64.5° | 60.0° |
| H23 | C23 | C25 | C26 | 47.4° | 60.1° |
| H23 | C23 | C25 | H251 | 77.9° | 180.0° |
| H23 | C23 | C25 | H252 | 172.7° | 60.0° |
| H241 | C24 | H242 | H243 | 117.9° | 120.1° |
| C26 | C25 | H251 | H252 | 117.8° | 120.0° |
| C25 | C26 | C27 | H261 | 125.2° | 119.9° |
| C25 | C26 | C27 | H262 | 125.3° | 120.1° |
| C25 | C26 | H261 | H262 | 118.9° | 119.9° |
| C25 | C26 | C27 | C28 | 171.6° | 180.0° |
| C25 | C26 | C27 | H271 | 63.1° | 60.1° |
| C25 | C26 | C27 | H272 | 46.4° | 59.9° |
| H251 | C25 | C26 | C27 | 65.7° | 60.0° |
| H251 | C25 | C26 | H261 | 169.0° | 180.0° |
| H251 | C25 | C26 | H262 | 59.6° | 60.1° |
| H252 | C25 | C26 | C27 | 43.8° | 59.9° |
| H252 | C25 | C26 | H261 | 81.5° | 60.1° |
| H252 | C25 | C26 | H262 | 169.1° | 180.0° |
| C27 | C26 | H261 | H262 | 119.0° | 120.1° |
| C26 | C27 | C28 | H271 | 125.3° | 119.9° |
| C26 | C27 | C28 | H272 | 125.3° | 120.1° |
| C26 | C27 | H271 | H272 | 117.4° | 120.0° |
| C26 | C27 | C28 | C29 | 175.8° | 180.0° |
| C26 | C27 | C28 | C30 | 65.8° | 59.9° |
| C26 | C27 | C28 | H28 | 54.0° | 60.1° |
| H261 | C26 | C27 | C28 | 46.4° | 60.1° |
| H261 | C26 | C27 | H271 | 171.6° | 180.0° |
| H261 | C26 | C27 | H272 | 78.9° | 60.0° |
| H262 | C26 | C27 | C28 | 63.1° | 59.9° |
| H262 | C26 | C27 | H271 | 62.2° | 60.0° |
| H262 | C26 | C27 | H272 | 171.6° | 180.0° |
| C28 | C27 | H271 | H272 | 117.4° | 120.0° |
| C27 | C28 | C29 | C30 | 120.0° | 120.1° |
| C27 | C28 | C29 | H28 | 120.3° | 119.9° |
| C27 | C28 | C30 | H28 | 120.4° | 119.9° |
| C27 | C28 | C29 | H291 | 180.0° | 180.0° |
| C27 | C28 | C29 | H292 | 54.7° | 59.9° |
| C27 | C28 | C29 | H293 | 54.7° | 60.1° |
| C27 | C28 | C30 | H301 | 180.0° | 60.0° |
| C27 | C28 | C30 | H302 | 54.7° | 59.9° |
| C27 | C28 | C30 | H303 | 54.7° | 180.0° |
| H271 | C27 | C28 | C29 | 50.5° | 60.1° |
| H271 | C27 | C28 | C30 | 169.0° | 60.0° |
| H271 | C27 | C28 | H28 | 71.3° | 180.0° |
| H272 | C27 | C28 | C29 | 58.9° | 59.9° |
| H272 | C27 | C28 | C30 | 59.5° | 180.0° |
| H272 | C27 | C28 | H28 | 179.2° | 60.0° |
| C29 | C28 | C30 | H28 | 121.9° | 120.0° |
| C28 | C29 | H291 | H292 | 125.2° | 120.1° |
| C28 | C29 | H291 | H293 | 125.3° | 119.9° |
| C28 | C29 | H292 | H293 | 118.9° | 120.0° |
| C29 | C28 | C30 | H301 | 62.3° | 60.1° |
| C29 | C28 | C30 | H302 | 63.0° | 180.0° |
| C29 | C28 | C30 | H303 | 172.5° | 60.0° |
| C30 | C28 | C29 | H291 | 60.0° | 59.9° |
| C30 | C28 | C29 | H292 | 174.7° | 180.0° |
| C30 | C28 | C29 | H293 | 65.3° | 60.0° |
| C28 | C30 | H301 | H302 | 125.3° | 119.9° |
| C28 | C30 | H301 | H303 | 125.2° | 120.0° |
| C28 | C30 | H302 | H303 | 117.5° | 120.0° |
| H28 | C28 | C29 | H291 | 59.7° | 60.1° |
| H28 | C28 | C29 | H292 | 65.5° | 60.0° |
| H28 | C28 | C29 | H293 | 175.0° | 180.0° |
| H28 | C28 | C30 | H301 | 59.6° | 179.9° |
| H28 | C28 | C30 | H302 | 175.1° | 60.0° |
| H28 | C28 | C30 | H303 | 65.6° | 60.0° |
| H291 | C29 | H292 | H293 | 119.0° | 119.9° |
| H301 | C30 | H302 | H303 | 117.6° | 120.1° |
