CBW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | C10 | sing | 1.54Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.51Å | 1.58Å | |
| C4 | C24 | sing | 1.53Å | 1.53Å | |
| C4 | C25 | sing | 1.55Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C10 | sing | 1.53Å | 1.57Å | |
| C6 | C7 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.52Å | 1.54Å | |
| C8 | C9 | sing | 1.52Å | 1.54Å | |
| C8 | C14 | sing | 1.53Å | 1.57Å | |
| C8 | C26 | sing | 1.54Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| C9 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | C19 | sing | 1.52Å | 1.54Å | |
| C11 | C12 | sing | 1.47Å | 1.41Å | |
| C11 | O11 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | doub | 1.34Å | 1.40Å | |
| C13 | C14 | sing | 1.50Å | 1.56Å | |
| C13 | C18 | sing | 1.52Å | 1.57Å | |
| C14 | C15 | sing | 1.52Å | 1.55Å | |
| C14 | C27 | sing | 1.54Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C23 | sing | 1.53Å | 1.55Å | |
| C17 | C28 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.52Å | 1.57Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C33 | sing | 1.50Å | 1.53Å | |
| C21 | C34 | sing | 1.54Å | 1.56Å | |
| C22 | C23 | sing | 1.52Å | 1.54Å | |
| C33 | O34 | doub | 1.21Å | 1.24Å | |
| C33 | O35 | sing | 1.34Å | 1.26Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.08Å | 1.10Å | |
| C2 | H22C | sing | 1.10Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HA | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.12Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.08Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.11Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | 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 | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C15 | H152 | sing | 1.11Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 112.7° | 109.7° |
| C1 | C2 | C3 | 112.4° | 109.7° |
| C2 | C1 | H11C | 108.4° | 109.7° |
| C2 | C1 | H12C | 107.6° | 109.6° |
| C1 | C2 | H21C | 108.5° | 111.4° |
| C1 | C2 | H22C | 107.8° | 108.5° |
| C1 | C10 | C5 | 108.8° | 108.5° |
| C1 | C10 | C9 | 107.0° | 107.7° |
| C1 | C10 | C19 | 107.5° | 108.0° |
| C10 | C1 | H11C | 108.4° | 109.0° |
| C10 | C1 | H12C | 107.6° | 109.1° |
| C2 | C3 | C4 | 111.7° | 111.1° |
| C2 | C3 | O3 | 110.0° | 109.4° |
| C3 | C2 | H21C | 108.5° | 110.8° |
| C3 | C2 | H22C | 107.8° | 108.6° |
| C2 | C3 | H3 | 108.7° | 109.4° |
| C4 | C3 | O3 | 112.5° | 109.0° |
| C3 | C4 | C5 | 106.8° | 111.1° |
| C3 | C4 | C24 | 110.3° | 110.4° |
| C3 | C4 | C25 | 106.6° | 106.1° |
| C4 | C3 | H3 | 106.0° | 109.0° |
| O3 | C3 | H3 | 107.8° | 108.9° |
| C3 | O3 | HA | 109.5° | 114.0° |
| C5 | C4 | C24 | 113.4° | 113.5° |
| C5 | C4 | C25 | 110.2° | 108.2° |
| C4 | C5 | C6 | 115.3° | 112.9° |
| C4 | C5 | C10 | 118.1° | 115.7° |
| C4 | C5 | H5 | 98.0° | 106.4° |
| C24 | C4 | C25 | 109.2° | 107.1° |
| C4 | C24 | H241 | 109.5° | 109.5° |
| C4 | C24 | H242 | 109.4° | 109.5° |
| C4 | C24 | H243 | 109.5° | 109.4° |
| C4 | C25 | H251 | 109.5° | 109.4° |
| C4 | C25 | H252 | 109.4° | 109.5° |
| C4 | C25 | H253 | 109.5° | 109.5° |
| C6 | C5 | C10 | 109.4° | 109.6° |
| C5 | C6 | C7 | 109.8° | 107.5° |
| C6 | C5 | H5 | 109.2° | 105.7° |
| C5 | C6 | H61C | 109.4° | 111.9° |
| C5 | C6 | H62C | 109.3° | 110.4° |
| C5 | C10 | C9 | 106.4° | 107.8° |
| C5 | C10 | C19 | 114.4° | 112.5° |
| C10 | C5 | H5 | 105.6° | 105.7° |
| C6 | C7 | C8 | 112.0° | 110.7° |
| C7 | C6 | H61C | 109.4° | 110.2° |
| C7 | C6 | H62C | 109.3° | 107.8° |
| C6 | C7 | H71C | 108.6° | 108.5° |
| C6 | C7 | H72C | 108.0° | 107.2° |
| C7 | C8 | C9 | 111.7° | 112.5° |
| C7 | C8 | C14 | 109.4° | 110.7° |
| C7 | C8 | C26 | 107.3° | 108.3° |
| C8 | C7 | H71C | 108.6° | 109.7° |
| C8 | C7 | H72C | 108.1° | 112.0° |
| C9 | C8 | C14 | 107.3° | 109.7° |
| C9 | C8 | C26 | 108.3° | 109.3° |
| C8 | C9 | C10 | 117.2° | 115.0° |
| C8 | C9 | C11 | 110.2° | 107.4° |
| C8 | C9 | H9 | 105.4° | 108.7° |
| C14 | C8 | C26 | 112.8° | 106.1° |
| C8 | C14 | C13 | 108.8° | 111.8° |
| C8 | C14 | C15 | 109.0° | 110.5° |
| C8 | C14 | C27 | 114.0° | 107.1° |
| C8 | C26 | H261 | 109.5° | 109.5° |
| C8 | C26 | H262 | 109.4° | 109.5° |
| C8 | C26 | H263 | 109.5° | 109.5° |
| C10 | C9 | C11 | 114.9° | 112.3° |
| C9 | C10 | C19 | 112.5° | 112.2° |
| C10 | C9 | H9 | 99.4° | 106.1° |
| C9 | C11 | C12 | 118.9° | 115.7° |
| C9 | C11 | O11 | 121.2° | 124.1° |
| C11 | C9 | H9 | 108.2° | 107.1° |
| C10 | C19 | H191 | 109.5° | 109.5° |
| C10 | C19 | H192 | 109.4° | 109.4° |
| C10 | C19 | H193 | 109.4° | 109.4° |
| C12 | C11 | O11 | 119.8° | 120.1° |
| C11 | C12 | C13 | 122.0° | 121.1° |
| C11 | C12 | H12 | 119.0° | 119.4° |
| C12 | C13 | C14 | 120.8° | 123.1° |
| C12 | C13 | C18 | 116.9° | 116.0° |
| C13 | C12 | H12 | 119.0° | 119.5° |
| C14 | C13 | C18 | 122.2° | 120.9° |
| C13 | C14 | C15 | 110.7° | 112.6° |
| C13 | C14 | C27 | 104.7° | 107.3° |
| C13 | C18 | C17 | 111.3° | 108.9° |
| C13 | C18 | C20 | 109.5° | 110.2° |
| C13 | C18 | H18 | 111.0° | 108.1° |
| C15 | C14 | C27 | 109.6° | 107.3° |
| C14 | C15 | C16 | 112.3° | 111.9° |
| C14 | C15 | H151 | 108.6° | 113.9° |
| C14 | C15 | H152 | 107.9° | 107.7° |
| C14 | C27 | H271 | 109.5° | 109.4° |
| C14 | C27 | H272 | 109.5° | 109.4° |
| C14 | C27 | H273 | 109.5° | 109.5° |
| C15 | C16 | C17 | 113.1° | 110.4° |
| C16 | C15 | H151 | 108.5° | 109.4° |
| C16 | C15 | H152 | 107.9° | 107.2° |
| C15 | C16 | H161 | 108.3° | 108.7° |
| C15 | C16 | H162 | 107.5° | 110.0° |
| C16 | C17 | C18 | 109.2° | 109.1° |
| C16 | C17 | C23 | 110.5° | 110.5° |
| C16 | C17 | C28 | 110.3° | 109.9° |
| C17 | C16 | H161 | 108.3° | 109.0° |
| C17 | C16 | H162 | 107.4° | 110.1° |
| C18 | C17 | C23 | 108.2° | 110.5° |
| C18 | C17 | C28 | 109.9° | 109.0° |
| C17 | C18 | C20 | 116.4° | 110.9° |
| C17 | C18 | H18 | 103.0° | 108.8° |
| C23 | C17 | C28 | 108.9° | 107.8° |
| C17 | C23 | C22 | 113.0° | 111.4° |
| C17 | C23 | H231 | 108.3° | 109.3° |
| C17 | C23 | H232 | 107.5° | 108.5° |
| C17 | C28 | H281 | 109.5° | 109.5° |
| C17 | C28 | H282 | 109.5° | 109.5° |
| C17 | C28 | H283 | 109.4° | 109.5° |
| C18 | C20 | C21 | 116.5° | 111.0° |
| C20 | C18 | H18 | 105.2° | 109.8° |
| C18 | C20 | H201 | 107.2° | 110.4° |
| C18 | C20 | H202 | 105.6° | 109.6° |
| C20 | C21 | C22 | 106.2° | 109.5° |
| C20 | C21 | C33 | 110.7° | 110.6° |
| C20 | C21 | C34 | 111.2° | 108.6° |
| C21 | C20 | H201 | 107.2° | 107.7° |
| C21 | C20 | H202 | 105.6° | 109.0° |
| C22 | C21 | C33 | 110.9° | 110.6° |
| C22 | C21 | C34 | 112.1° | 108.7° |
| C21 | C22 | C23 | 112.6° | 111.1° |
| C21 | C22 | H221 | 108.4° | 109.3° |
| C21 | C22 | H222 | 107.7° | 109.2° |
| C33 | C21 | C34 | 105.9° | 108.8° |
| C21 | C33 | O34 | 115.6° | 120.0° |
| C21 | C33 | O35 | 118.3° | 120.0° |
| C21 | C34 | H341 | 109.5° | 109.5° |
| C21 | C34 | H342 | 109.4° | 109.5° |
| C21 | C34 | H343 | 109.4° | 109.5° |
| C22 | C23 | H231 | 108.3° | 110.4° |
| C22 | C23 | H232 | 107.5° | 109.1° |
| C23 | C22 | H221 | 108.4° | 109.6° |
| C23 | C22 | H222 | 107.7° | 109.4° |
| O34 | C33 | O35 | 126.0° | 120.0° |
| C33 | O35 | H35 | 109.5° | 117.0° |
| H11C | C1 | H12C | 112.1° | 109.7° |
| H21C | C2 | H22C | 111.8° | 107.8° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.7° | 108.9° |
| H71C | C7 | H72C | 111.5° | 108.7° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H261 | C26 | H263 | 109.4° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H151 | C15 | H152 | 111.7° | 106.3° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H161 | C16 | H162 | 112.4° | 108.6° |
| H231 | C23 | H232 | 112.3° | 108.0° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H201 | C20 | H202 | 115.1° | 109.0° |
| H221 | C22 | H222 | 111.9° | 108.2° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.4° |
| H342 | C34 | H343 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | H11C | 120.0° | 120.2° |
| C2 | C1 | C10 | H12C | 118.6° | 120.0° |
| C1 | C2 | C3 | H21C | 120.0° | 123.4° |
| C1 | C2 | C3 | H22C | 118.7° | 118.4° |
| C1 | C2 | C3 | C4 | 59.1° | 59.2° |
| C1 | C2 | C3 | O3 | 175.3° | 179.7° |
| C2 | C1 | C10 | C5 | 48.7° | 58.1° |
| C2 | C1 | C10 | C9 | 163.3° | 174.5° |
| C2 | C1 | C10 | C19 | 75.6° | 64.1° |
| C2 | C1 | H11C | H12C | 118.7° | 120.4° |
| C1 | C2 | H21C | H22C | 118.8° | 119.0° |
| C1 | C2 | C3 | H3 | 57.5° | 61.1° |
| C10 | C1 | C2 | C3 | 55.5° | 63.1° |
| C1 | C10 | C5 | C4 | 50.8° | 52.7° |
| C1 | C10 | C5 | C6 | 174.7° | 178.3° |
| C1 | C10 | C5 | C9 | 115.0° | 116.3° |
| C1 | C10 | C5 | C19 | 120.2° | 119.5° |
| C1 | C10 | C9 | C8 | 167.1° | 169.0° |
| C1 | C10 | C9 | C19 | 117.8° | 118.8° |
| C1 | C10 | C9 | C11 | 61.1° | 67.8° |
| C10 | C1 | H11C | H12C | 118.6° | 119.4° |
| C10 | C1 | C2 | H21C | 64.5° | 59.9° |
| C10 | C1 | C2 | H22C | 174.3° | 178.5° |
| C1 | C10 | C5 | H5 | 57.3° | 64.8° |
| C1 | C10 | C9 | H9 | 54.2° | 48.9° |
| C1 | C10 | C19 | H191 | 89.9° | 46.4° |
| C1 | C10 | C19 | H192 | 150.1° | 166.4° |
| C1 | C10 | C19 | H193 | 30.2° | 73.6° |
| C2 | C3 | C4 | O3 | 124.2° | 120.7° |
| C2 | C3 | C4 | H3 | 118.2° | 120.6° |
| C2 | C3 | O3 | H3 | 118.4° | 119.5° |
| C2 | C3 | C4 | C5 | 55.1° | 51.4° |
| C2 | C3 | C4 | C24 | 68.6° | 75.4° |
| C2 | C3 | C4 | C25 | 173.0° | 168.8° |
| C3 | C2 | C1 | H11C | 64.5° | 56.7° |
| C3 | C2 | C1 | H12C | 174.1° | 177.2° |
| C3 | C2 | H21C | H22C | 118.8° | 118.7° |
| C2 | C3 | O3 | HA | 165.7° | 60.0° |
| C4 | C3 | O3 | H3 | 116.5° | 118.8° |
| C3 | C4 | C5 | C24 | 121.8° | 125.1° |
| C3 | C4 | C5 | C25 | 115.4° | 116.1° |
| C3 | C4 | C24 | C25 | 116.9° | 115.1° |
| C3 | C4 | C5 | C6 | 174.4° | 177.0° |
| C3 | C4 | C5 | C10 | 53.7° | 49.6° |
| C4 | C3 | C2 | H21C | 60.9° | 64.1° |
| C4 | C3 | C2 | H22C | 177.9° | 177.7° |
| C4 | C3 | O3 | HA | 40.6° | 178.3° |
| C3 | C4 | C5 | H5 | 58.7° | 67.5° |
| C3 | C4 | C24 | H241 | 81.1° | 66.8° |
| C3 | C4 | C24 | H242 | 158.9° | 173.2° |
| C3 | C4 | C24 | H243 | 38.9° | 53.2° |
| C3 | C4 | C25 | H251 | 125.8° | 60.0° |
| C3 | C4 | C25 | H252 | 114.2° | 179.9° |
| C3 | C4 | C25 | H253 | 5.8° | 60.0° |
| O3 | C3 | C4 | C5 | 179.3° | 172.1° |
| O3 | C3 | C4 | C24 | 55.6° | 45.2° |
| O3 | C3 | C4 | C25 | 62.9° | 70.5° |
| O3 | C3 | C2 | H21C | 64.7° | 56.3° |
| O3 | C3 | C2 | H22C | 56.6° | 61.9° |
| C5 | C4 | C24 | C25 | 123.3° | 119.4° |
| C4 | C5 | C6 | C10 | 135.9° | 130.6° |
| C4 | C5 | C6 | H5 | 109.1° | 115.9° |
| C4 | C5 | C10 | H5 | 108.2° | 117.4° |
| C4 | C5 | C6 | C7 | 157.7° | 162.3° |
| C4 | C5 | C10 | C9 | 165.8° | 169.0° |
| C4 | C5 | C10 | C19 | 69.4° | 66.8° |
| C5 | C4 | C3 | H3 | 63.1° | 69.2° |
| C5 | C4 | C24 | H241 | 159.1° | 167.7° |
| C5 | C4 | C24 | H242 | 39.1° | 47.6° |
| C5 | C4 | C24 | H243 | 80.9° | 72.3° |
| C5 | C4 | C25 | H251 | 10.2° | 59.3° |
| C5 | C4 | C25 | H252 | 130.2° | 60.6° |
| C5 | C4 | C25 | H253 | 109.8° | 179.3° |
| C4 | C5 | C6 | H61C | 82.3° | 76.5° |
| C4 | C5 | C6 | H62C | 37.8° | 44.9° |
| C24 | C4 | C5 | C6 | 63.8° | 51.9° |
| C24 | C4 | C5 | C10 | 68.1° | 75.5° |
| C24 | C4 | C3 | H3 | 173.2° | 163.9° |
| C24 | C4 | C5 | H5 | 179.5° | 167.4° |
| C4 | C24 | H241 | H242 | 120.0° | 120.0° |
| C4 | C24 | H241 | H243 | 120.0° | 120.0° |
| C4 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C4 | C25 | H251 | 115.0° | 177.9° |
| C24 | C4 | C25 | H252 | 5.0° | 62.1° |
| C24 | C4 | C25 | H253 | 125.0° | 57.9° |
| C25 | C4 | C5 | C6 | 59.0° | 66.9° |
| C25 | C4 | C5 | C10 | 169.1° | 165.7° |
| C25 | C4 | C3 | H3 | 54.7° | 48.2° |
| C25 | C4 | C5 | H5 | 56.7° | 48.7° |
| C25 | C4 | C24 | H241 | 35.7° | 48.3° |
| C25 | C4 | C24 | H242 | 84.3° | 71.7° |
| C25 | C4 | C24 | H243 | 155.7° | 168.3° |
| C4 | C25 | H251 | H252 | 120.0° | 120.0° |
| C4 | C25 | H251 | H253 | 120.0° | 120.0° |
| C4 | C25 | H252 | H253 | 120.0° | 120.0° |
| C6 | C5 | C10 | H5 | 117.4° | 113.5° |
| C5 | C6 | C7 | H61C | 120.0° | 122.3° |
| C5 | C6 | C7 | H62C | 119.9° | 119.0° |
| C5 | C6 | C7 | C8 | 59.3° | 60.2° |
| C6 | C5 | C10 | C9 | 59.8° | 61.9° |
| C6 | C5 | C10 | C19 | 65.1° | 62.3° |
| C5 | C6 | H61C | H62C | 119.8° | 122.3° |
| C5 | C6 | C7 | H71C | 179.3° | 179.5° |
| C5 | C6 | C7 | H72C | 59.7° | 62.3° |
| C10 | C5 | C6 | C7 | 66.5° | 67.1° |
| C5 | C10 | C9 | C8 | 50.9° | 52.1° |
| C5 | C10 | C9 | C19 | 126.0° | 124.3° |
| C5 | C10 | C9 | C11 | 177.2° | 175.3° |
| C5 | C10 | C1 | H11C | 71.3° | 62.1° |
| C5 | C10 | C1 | H12C | 167.3° | 178.1° |
| C10 | C5 | C6 | H61C | 53.5° | 54.1° |
| C10 | C5 | C6 | H62C | 173.6° | 175.5° |
| C5 | C10 | C9 | H9 | 62.0° | 68.0° |
| C5 | C10 | C19 | H191 | 31.0° | 73.3° |
| C5 | C10 | C19 | H192 | 88.9° | 46.7° |
| C5 | C10 | C19 | H193 | 151.1° | 166.7° |
| C6 | C7 | C8 | H71C | 120.0° | 119.6° |
| C6 | C7 | C8 | H72C | 118.9° | 119.6° |
| C6 | C7 | C8 | C9 | 47.4° | 50.5° |
| C6 | C7 | C8 | C14 | 166.1° | 173.7° |
| C6 | C7 | C8 | C26 | 71.2° | 70.4° |
| C7 | C6 | C5 | H5 | 48.6° | 46.4° |
| C7 | C6 | H61C | H62C | 119.9° | 118.1° |
| C6 | C7 | H71C | H72C | 118.9° | 116.3° |
| C7 | C8 | C9 | C14 | 119.9° | 123.7° |
| C7 | C8 | C9 | C26 | 118.0° | 120.4° |
| C7 | C8 | C14 | C26 | 119.4° | 117.3° |
| C7 | C8 | C9 | C10 | 45.5° | 47.5° |
| C7 | C8 | C9 | C11 | 179.4° | 173.2° |
| C7 | C8 | C14 | C13 | 179.2° | 173.4° |
| C7 | C8 | C14 | C15 | 60.0° | 60.4° |
| C7 | C8 | C14 | C27 | 62.9° | 56.1° |
| C8 | C7 | C6 | H61C | 60.7° | 62.1° |
| C8 | C7 | C6 | H62C | 179.1° | 179.2° |
| C8 | C7 | H71C | H72C | 119.0° | 122.8° |
| C7 | C8 | C9 | H9 | 64.0° | 71.2° |
| C7 | C8 | C26 | H261 | 30.8° | 65.7° |
| C7 | C8 | C26 | H262 | 89.2° | 174.3° |
| C7 | C8 | C26 | H263 | 150.8° | 54.3° |
| C9 | C8 | C14 | C26 | 119.2° | 117.9° |
| C8 | C9 | C10 | C11 | 131.8° | 123.2° |
| C8 | C9 | C10 | H9 | 112.9° | 120.1° |
| C8 | C9 | C11 | H9 | 114.8° | 116.6° |
| C8 | C9 | C10 | C19 | 75.1° | 72.3° |
| C8 | C9 | C11 | C12 | 34.7° | 47.5° |
| C8 | C9 | C11 | O11 | 146.9° | 134.0° |
| C9 | C8 | C14 | C13 | 57.8° | 48.6° |
| C9 | C8 | C14 | C15 | 178.6° | 174.8° |
| C9 | C8 | C14 | C27 | 58.5° | 68.6° |
| C9 | C8 | C7 | H71C | 167.4° | 170.1° |
| C9 | C8 | C7 | H72C | 71.5° | 69.1° |
| C9 | C8 | C26 | H261 | 90.0° | 171.4° |
| C9 | C8 | C26 | H262 | 149.9° | 51.4° |
| C9 | C8 | C26 | H263 | 29.9° | 68.6° |
| C14 | C8 | C9 | C10 | 165.4° | 171.2° |
| C14 | C8 | C9 | C11 | 60.6° | 63.0° |
| C8 | C14 | C13 | C12 | 30.3° | 17.6° |
| C8 | C14 | C13 | C15 | 119.8° | 125.0° |
| C8 | C14 | C13 | C27 | 122.2° | 117.1° |
| C8 | C14 | C13 | C18 | 152.3° | 162.3° |
| C8 | C14 | C15 | C27 | 125.4° | 116.4° |
| C8 | C14 | C15 | C16 | 160.7° | 167.9° |
| C14 | C8 | C7 | H71C | 74.0° | 66.7° |
| C14 | C8 | C7 | H72C | 47.1° | 54.1° |
| C14 | C8 | C9 | H9 | 56.0° | 52.5° |
| C14 | C8 | C26 | H261 | 151.4° | 53.1° |
| C14 | C8 | C26 | H262 | 31.4° | 66.8° |
| C14 | C8 | C26 | H263 | 88.7° | 173.2° |
| C8 | C14 | C15 | H151 | 40.7° | 43.1° |
| C8 | C14 | C15 | H152 | 80.5° | 74.6° |
| C8 | C14 | C27 | H271 | 150.5° | 66.4° |
| C8 | C14 | C27 | H272 | 89.5° | 173.6° |
| C8 | C14 | C27 | H273 | 30.5° | 53.6° |
| C26 | C8 | C9 | C10 | 72.6° | 72.9° |
| C26 | C8 | C9 | C11 | 61.4° | 52.9° |
| C26 | C8 | C14 | C13 | 61.4° | 69.3° |
| C26 | C8 | C14 | C15 | 59.4° | 56.9° |
| C26 | C8 | C14 | C27 | 177.7° | 173.4° |
| C26 | C8 | C7 | H71C | 48.8° | 49.2° |
| C26 | C8 | C7 | H72C | 169.8° | 170.0° |
| C26 | C8 | C9 | H9 | 178.0° | 168.4° |
| C8 | C26 | H261 | H262 | 120.0° | 120.0° |
| C8 | C26 | H261 | H263 | 120.0° | 120.1° |
| C8 | C26 | H262 | H263 | 120.0° | 120.1° |
| C10 | C9 | C11 | H9 | 110.1° | 116.1° |
| C10 | C9 | C11 | C12 | 169.8° | 174.8° |
| C10 | C9 | C11 | O11 | 11.9° | 6.7° |
| C9 | C10 | C1 | H11C | 43.3° | 54.2° |
| C9 | C10 | C1 | H12C | 78.1° | 65.5° |
| C9 | C10 | C5 | H5 | 57.6° | 51.6° |
| C9 | C10 | C19 | H191 | 152.6° | 165.0° |
| C9 | C10 | C19 | H192 | 32.6° | 75.0° |
| C9 | C10 | C19 | H193 | 87.4° | 45.0° |
| C11 | C9 | C10 | C19 | 56.8° | 50.9° |
| C9 | C11 | C12 | O11 | 178.4° | 178.5° |
| C9 | C11 | C12 | C13 | 4.8° | 17.2° |
| C9 | C11 | C12 | H12 | 175.3° | 162.6° |
| C19 | C10 | C1 | H11C | 164.4° | 175.6° |
| C19 | C10 | C1 | H12C | 43.0° | 55.9° |
| C19 | C10 | C5 | H5 | 177.5° | 175.8° |
| C19 | C10 | C9 | H9 | 172.1° | 167.6° |
| C10 | C19 | H191 | H192 | 120.0° | 120.0° |
| C10 | C19 | H191 | H193 | 120.0° | 119.9° |
| C10 | C19 | H192 | H193 | 120.0° | 119.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 3.0° | 1.4° |
| C11 | C12 | C13 | C18 | 179.5° | 178.5° |
| C12 | C11 | C9 | H9 | 80.1° | 69.1° |
| O11 | C11 | C12 | C13 | 176.9° | 164.2° |
| O11 | C11 | C9 | H9 | 98.2° | 109.4° |
| O11 | C11 | C12 | H12 | 3.1° | 15.9° |
| C12 | C13 | C14 | C18 | 177.4° | 179.9° |
| C12 | C13 | C14 | C15 | 150.1° | 142.6° |
| C12 | C13 | C14 | C27 | 91.9° | 99.5° |
| C12 | C13 | C18 | C17 | 145.1° | 136.0° |
| C12 | C13 | C18 | C20 | 84.7° | 102.1° |
| C12 | C13 | C18 | H18 | 31.0° | 17.9° |
| C13 | C14 | C15 | C27 | 114.9° | 117.9° |
| C13 | C14 | C15 | C16 | 41.1° | 42.2° |
| C14 | C13 | C18 | C17 | 37.4° | 43.9° |
| C14 | C13 | C18 | C20 | 92.8° | 77.9° |
| C14 | C13 | C12 | H12 | 177.0° | 178.5° |
| C14 | C13 | C18 | H18 | 151.5° | 162.0° |
| C13 | C14 | C15 | H151 | 78.9° | 82.6° |
| C13 | C14 | C15 | H152 | 159.9° | 159.7° |
| C13 | C14 | C27 | H271 | 31.8° | 53.7° |
| C13 | C14 | C27 | H272 | 151.8° | 66.2° |
| C13 | C14 | C27 | H273 | 88.2° | 173.7° |
| C18 | C13 | C14 | C15 | 32.5° | 37.3° |
| C18 | C13 | C14 | C27 | 85.5° | 80.6° |
| C13 | C18 | C17 | C16 | 49.4° | 55.5° |
| C13 | C18 | C17 | C20 | 126.4° | 121.4° |
| C13 | C18 | C17 | H18 | 119.0° | 117.6° |
| C13 | C18 | C17 | C23 | 169.7° | 177.1° |
| C13 | C18 | C17 | C28 | 71.6° | 64.5° |
| C13 | C18 | C20 | H18 | 119.3° | 118.9° |
| C13 | C18 | C20 | C21 | 171.9° | 178.3° |
| C18 | C13 | C12 | H12 | 0.5° | 1.6° |
| C13 | C18 | C20 | H201 | 51.9° | 58.9° |
| C13 | C18 | C20 | H202 | 71.3° | 61.2° |
| C14 | C15 | C16 | H151 | 120.0° | 127.2° |
| C14 | C15 | C16 | H152 | 118.8° | 117.9° |
| C14 | C15 | C16 | C17 | 60.2° | 58.1° |
| C14 | C15 | H151 | H152 | 118.9° | 118.5° |
| C15 | C14 | C27 | H271 | 87.0° | 175.0° |
| C15 | C14 | C27 | H272 | 33.1° | 55.0° |
| C15 | C14 | C27 | H273 | 153.0° | 65.0° |
| C14 | C15 | C16 | H161 | 179.8° | 177.6° |
| C14 | C15 | C16 | H162 | 58.2° | 63.6° |
| C27 | C14 | C15 | C16 | 73.9° | 75.7° |
| C27 | C14 | C15 | H151 | 166.1° | 159.5° |
| C27 | C14 | C15 | H152 | 44.9° | 41.8° |
| C14 | C27 | H271 | H272 | 120.0° | 119.9° |
| C14 | C27 | H271 | H273 | 120.0° | 120.0° |
| C14 | C27 | H272 | H273 | 120.0° | 120.0° |
| C15 | C16 | C17 | H161 | 120.0° | 119.4° |
| C15 | C16 | C17 | H162 | 118.4° | 121.7° |
| C15 | C16 | C17 | C18 | 63.9° | 65.5° |
| C15 | C16 | C17 | C23 | 177.3° | 172.9° |
| C15 | C16 | C17 | C28 | 56.9° | 54.0° |
| C16 | C15 | H151 | H152 | 118.9° | 115.4° |
| C15 | C16 | H161 | H162 | 118.5° | 119.7° |
| C16 | C17 | C18 | C23 | 120.2° | 121.6° |
| C16 | C17 | C18 | C28 | 121.1° | 120.0° |
| C16 | C17 | C23 | C28 | 121.2° | 120.1° |
| C16 | C17 | C18 | C20 | 77.0° | 65.9° |
| C16 | C17 | C23 | C22 | 66.6° | 65.5° |
| C16 | C17 | C18 | H18 | 168.5° | 173.1° |
| C17 | C16 | C15 | H151 | 59.8° | 69.1° |
| C17 | C16 | C15 | H152 | 179.0° | 175.9° |
| C17 | C16 | H161 | H162 | 118.5° | 119.9° |
| C16 | C17 | C23 | H231 | 173.4° | 172.2° |
| C16 | C17 | C23 | H232 | 51.8° | 54.7° |
| C16 | C17 | C28 | H281 | 31.3° | 60.0° |
| C16 | C17 | C28 | H282 | 88.7° | 180.0° |
| C16 | C17 | C28 | H283 | 151.3° | 60.0° |
| C18 | C17 | C23 | C28 | 119.3° | 119.0° |
| C17 | C18 | C20 | H18 | 113.3° | 120.4° |
| C17 | C18 | C20 | C21 | 44.6° | 57.6° |
| C18 | C17 | C23 | C22 | 52.8° | 55.4° |
| C18 | C17 | C16 | H161 | 176.1° | 175.2° |
| C18 | C17 | C16 | H162 | 54.5° | 56.2° |
| C18 | C17 | C23 | H231 | 67.2° | 66.9° |
| C18 | C17 | C23 | H232 | 171.3° | 175.6° |
| C18 | C17 | C28 | H281 | 89.1° | 179.5° |
| C18 | C17 | C28 | H282 | 150.9° | 60.5° |
| C18 | C17 | C28 | H283 | 30.9° | 59.5° |
| C17 | C18 | C20 | H201 | 75.4° | 61.8° |
| C17 | C18 | C20 | H202 | 161.4° | 178.1° |
| C23 | C17 | C18 | C20 | 43.3° | 55.7° |
| C17 | C23 | C22 | C21 | 64.5° | 56.7° |
| C17 | C23 | C22 | H231 | 120.0° | 121.7° |
| C17 | C23 | C22 | H232 | 118.5° | 119.8° |
| C23 | C17 | C18 | H18 | 71.3° | 65.2° |
| C23 | C17 | C16 | H161 | 57.3° | 53.5° |
| C23 | C17 | C16 | H162 | 64.3° | 65.4° |
| C17 | C23 | H231 | H232 | 118.6° | 117.9° |
| C23 | C17 | C28 | H281 | 152.6° | 60.5° |
| C23 | C17 | C28 | H282 | 32.6° | 59.5° |
| C23 | C17 | C28 | H283 | 87.4° | 179.5° |
| C17 | C23 | C22 | H221 | 55.5° | 64.2° |
| C17 | C23 | C22 | H222 | 176.8° | 177.3° |
| C28 | C17 | C18 | C20 | 162.0° | 174.0° |
| C28 | C17 | C23 | C22 | 172.1° | 174.4° |
| C28 | C17 | C18 | H18 | 47.4° | 53.1° |
| C28 | C17 | C16 | H161 | 63.1° | 65.3° |
| C28 | C17 | C16 | H162 | 175.3° | 175.7° |
| C28 | C17 | C23 | H231 | 52.1° | 52.1° |
| C28 | C17 | C23 | H232 | 69.4° | 65.4° |
| C17 | C28 | H281 | H282 | 120.0° | 120.0° |
| C17 | C28 | H281 | H283 | 120.0° | 120.0° |
| C17 | C28 | H282 | H283 | 120.0° | 120.0° |
| C18 | C20 | C21 | H201 | 120.0° | 121.0° |
| C18 | C20 | C21 | H202 | 116.8° | 120.9° |
| C18 | C20 | C21 | C22 | 48.6° | 57.7° |
| C18 | C20 | C21 | C33 | 71.8° | 64.4° |
| C18 | C20 | C21 | C34 | 170.8° | 176.4° |
| C18 | C20 | H201 | H202 | 117.1° | 120.4° |
| C20 | C21 | C22 | C33 | 120.2° | 122.1° |
| C20 | C21 | C22 | C34 | 121.6° | 118.5° |
| C20 | C21 | C33 | C34 | 120.6° | 119.2° |
| C20 | C21 | C22 | C23 | 58.1° | 57.2° |
| C20 | C21 | C33 | O34 | 36.9° | 0.0° |
| C20 | C21 | C33 | O35 | 146.5° | 180.0° |
| C21 | C20 | C18 | H18 | 68.8° | 62.8° |
| C21 | C20 | H201 | H202 | 117.1° | 118.2° |
| C20 | C21 | C22 | H221 | 61.9° | 63.9° |
| C20 | C21 | C22 | H222 | 176.8° | 177.9° |
| C20 | C21 | C34 | H341 | 146.7° | 60.0° |
| C20 | C21 | C34 | H342 | 93.3° | 180.0° |
| C20 | C21 | C34 | H343 | 26.7° | 60.0° |
| C22 | C21 | C33 | C34 | 121.8° | 119.3° |
| C21 | C22 | C23 | H221 | 120.0° | 120.9° |
| C21 | C22 | C23 | H222 | 118.7° | 120.6° |
| C22 | C21 | C33 | O34 | 154.4° | 121.5° |
| C22 | C21 | C33 | O35 | 29.0° | 58.5° |
| C21 | C22 | C23 | H231 | 55.4° | 65.0° |
| C21 | C22 | C23 | H232 | 177.0° | 176.5° |
| C22 | C21 | C20 | H201 | 71.4° | 63.3° |
| C22 | C21 | C20 | H202 | 165.4° | 178.6° |
| C21 | C22 | H221 | H222 | 118.7° | 118.8° |
| C22 | C21 | C34 | H341 | 94.7° | 179.1° |
| C22 | C21 | C34 | H342 | 25.4° | 60.9° |
| C22 | C21 | C34 | H343 | 145.4° | 59.2° |
| C33 | C21 | C22 | C23 | 62.1° | 64.9° |
| C21 | C33 | O34 | O35 | 176.3° | 180.0° |
| C33 | C21 | C20 | H201 | 168.2° | 174.6° |
| C33 | C21 | C20 | H202 | 45.0° | 56.5° |
| C33 | C21 | C22 | H221 | 177.8° | 174.0° |
| C33 | C21 | C22 | H222 | 56.5° | 55.8° |
| C33 | C21 | C34 | H341 | 26.4° | 60.4° |
| C33 | C21 | C34 | H342 | 146.4° | 59.6° |
| C33 | C21 | C34 | H343 | 93.6° | 179.6° |
| C21 | C33 | O35 | H35 | 176.2° | 180.0° |
| C34 | C21 | C22 | C23 | 179.7° | 175.7° |
| C34 | C21 | C33 | O34 | 83.8° | 119.1° |
| C34 | C21 | C33 | O35 | 92.9° | 60.8° |
| C34 | C21 | C20 | H201 | 50.8° | 55.3° |
| C34 | C21 | C20 | H202 | 72.4° | 62.8° |
| C34 | C21 | C22 | H221 | 59.7° | 54.6° |
| C34 | C21 | C22 | H222 | 61.6° | 63.6° |
| C21 | C34 | H341 | H342 | 120.0° | 120.0° |
| C21 | C34 | H341 | H343 | 120.0° | 120.0° |
| C21 | C34 | H342 | H343 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 118.6° | 119.2° |
| C23 | C22 | H221 | H222 | 118.7° | 119.2° |
| O34 | C33 | O35 | H35 | 0.0° | 0.0° |
| H11C | C1 | C2 | H21C | 175.6° | 179.7° |
| H11C | C1 | C2 | H22C | 54.3° | 61.7° |
| H12C | C1 | C2 | H21C | 54.1° | 59.8° |
| H12C | C1 | C2 | H22C | 67.2° | 58.7° |
| H21C | C2 | C3 | H3 | 177.5° | 175.5° |
| H22C | C2 | C3 | H3 | 61.3° | 57.3° |
| H3 | C3 | O3 | HA | 75.9° | 59.5° |
| H5 | C5 | C6 | H61C | 168.6° | 167.6° |
| H5 | C5 | C6 | H62C | 71.3° | 71.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H61C | C6 | C7 | H71C | 59.3° | 58.3° |
| H61C | C6 | C7 | H72C | 179.7° | 175.5° |
| H62C | C6 | C7 | H71C | 60.9° | 60.5° |
| H62C | C6 | C7 | H72C | 60.2° | 56.7° |
| H261 | C26 | H262 | H263 | 120.0° | 119.9° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| H18 | C18 | C20 | H201 | 171.2° | 177.8° |
| H18 | C18 | C20 | H202 | 48.0° | 57.8° |
| H151 | C15 | C16 | H161 | 60.2° | 50.4° |
| H151 | C15 | C16 | H162 | 178.2° | 169.1° |
| H152 | C15 | C16 | H161 | 61.0° | 64.5° |
| H152 | C15 | C16 | H162 | 60.6° | 54.2° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H231 | C23 | C22 | H221 | 175.4° | 174.1° |
| H231 | C23 | C22 | H222 | 63.2° | 55.6° |
| H232 | C23 | C22 | H221 | 63.0° | 55.6° |
| H232 | C23 | C22 | H222 | 58.3° | 62.9° |
| H281 | C28 | H282 | H283 | 120.0° | 119.9° |
| H341 | C34 | H342 | H343 | 120.0° | 120.0° |
