MY8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.45Å | 1.40Å | |
| O1 | C29 | sing | 1.35Å | 1.39Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C4 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C6 | sing | 1.50Å | 1.49Å | |
| C6 | C7 | doub | 1.33Å | 1.33Å | |
| C7 | C8 | sing | 1.47Å | 1.44Å | |
| C8 | C9 | doub | 1.33Å | 1.34Å | |
| C9 | C10 | sing | 1.50Å | 1.48Å | |
| C10 | O2 | sing | 1.43Å | 1.22Å | |
| C10 | C11 | sing | 1.54Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.52Å | 1.50Å | |
| C16 | O3 | sing | 1.43Å | 1.45Å | |
| C16 | C25 | sing | 1.52Å | 1.49Å | |
| O3 | C17 | sing | 1.43Å | 1.44Å | |
| C17 | O4 | sing | 1.43Å | 1.45Å | |
| C17 | C24 | sing | 1.53Å | 1.51Å | |
| O4 | C18 | sing | 1.43Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C18 | C20 | sing | 1.53Å | 1.49Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C21 | N1 | sing | 1.47Å | 1.47Å | |
| C21 | C24 | sing | 1.53Å | 1.51Å | |
| N1 | C22 | sing | 1.47Å | 1.46Å | |
| N1 | C23 | sing | 1.47Å | 1.46Å | |
| C24 | O5 | sing | 1.43Å | 1.39Å | |
| C25 | C26 | sing | 1.54Å | 1.53Å | |
| C25 | C27 | sing | 1.51Å | 1.48Å | |
| C27 | C28 | doub | 1.33Å | 1.32Å | |
| C28 | C29 | sing | 1.47Å | 1.48Å | |
| C29 | O6 | doub | 1.22Å | 1.23Å | |
| C1 | HA | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C5 | H53C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | 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 | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | 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 | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C29 | 109.0° | 119.4° |
| O1 | C1 | C2 | 96.3° | 109.6° |
| O1 | C1 | C4 | 107.1° | 110.2° |
| O1 | C1 | HA | 118.0° | 109.6° |
| O1 | C29 | C28 | 105.9° | 119.7° |
| O1 | C29 | O6 | 128.3° | 120.7° |
| C2 | C1 | C4 | 100.9° | 109.1° |
| C1 | C2 | C3 | 111.9° | 109.5° |
| C2 | C1 | HA | 115.6° | 109.1° |
| C1 | C2 | H21C | 108.8° | 109.4° |
| C1 | C2 | H22C | 108.9° | 109.5° |
| C1 | C4 | C5 | 99.6° | 109.2° |
| C1 | C4 | C6 | 111.0° | 109.3° |
| C4 | C1 | HA | 116.0° | 109.2° |
| C1 | C4 | H4 | 115.2° | 109.7° |
| C3 | C2 | H21C | 108.9° | 109.5° |
| C3 | C2 | H22C | 108.9° | 109.5° |
| C2 | C3 | H31C | 109.5° | 109.5° |
| C2 | C3 | H32C | 109.5° | 109.5° |
| C2 | C3 | H33C | 109.4° | 109.4° |
| C5 | C4 | C6 | 98.2° | 109.4° |
| C5 | C4 | H4 | 115.2° | 109.7° |
| C4 | C5 | H51C | 109.5° | 109.4° |
| C4 | C5 | H52C | 109.4° | 109.5° |
| C4 | C5 | H53C | 109.4° | 109.5° |
| C4 | C6 | C7 | 118.9° | 120.7° |
| C6 | C4 | H4 | 115.3° | 109.5° |
| C4 | C6 | H6 | 120.5° | 120.3° |
| C6 | C7 | C8 | 124.1° | 119.6° |
| C7 | C6 | H6 | 120.6° | 119.0° |
| C6 | C7 | H7 | 117.9° | 119.9° |
| C7 | C8 | C9 | 122.3° | 119.8° |
| C8 | C7 | H7 | 117.9° | 120.5° |
| C7 | C8 | H8 | 118.9° | 120.1° |
| C8 | C9 | C10 | 115.5° | 120.8° |
| C9 | C8 | H8 | 118.9° | 120.0° |
| C8 | C9 | H9 | 122.2° | 119.1° |
| C9 | C10 | O2 | 120.6° | 110.7° |
| C9 | C10 | C11 | 117.1° | 108.4° |
| C10 | C9 | H9 | 122.2° | 120.1° |
| C9 | C10 | H10 | 96.4° | 109.5° |
| O2 | C10 | C11 | 118.1° | 109.6° |
| O2 | C10 | H10 | 97.8° | 109.8° |
| C10 | O2 | H2 | 109.5° | 114.0° |
| C10 | C11 | C12 | 104.1° | 108.5° |
| C10 | C11 | C13 | 115.5° | 109.2° |
| C11 | C10 | H10 | 96.5° | 108.7° |
| C10 | C11 | H11 | 108.5° | 109.5° |
| C12 | C11 | C13 | 113.1° | 110.3° |
| C12 | C11 | H11 | 107.5° | 109.4° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.4° |
| C11 | C12 | H123 | 109.4° | 109.5° |
| C11 | C13 | C14 | 110.5° | 110.9° |
| C13 | C11 | H11 | 107.8° | 109.9° |
| C11 | C13 | H131 | 109.2° | 109.0° |
| C11 | C13 | H132 | 109.2° | 109.8° |
| C13 | C14 | C15 | 108.9° | 110.3° |
| C13 | C14 | C16 | 119.7° | 110.7° |
| C14 | C13 | H131 | 109.2° | 109.5° |
| C14 | C13 | H132 | 109.2° | 109.4° |
| C13 | C14 | H14 | 110.3° | 108.3° |
| C15 | C14 | C16 | 95.5° | 112.0° |
| C15 | C14 | H14 | 110.5° | 107.7° |
| C14 | C15 | H151 | 109.5° | 109.4° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H153 | 109.4° | 109.5° |
| C14 | C16 | O3 | 101.6° | 109.1° |
| C14 | C16 | C25 | 103.6° | 113.7° |
| C16 | C14 | H14 | 110.9° | 107.6° |
| C14 | C16 | H16 | 114.4° | 108.6° |
| O3 | C16 | C25 | 105.9° | 109.1° |
| C16 | O3 | C17 | 112.5° | 114.0° |
| O3 | C16 | H16 | 115.3° | 107.7° |
| C16 | C25 | C26 | 107.9° | 108.4° |
| C16 | C25 | C27 | 103.5° | 110.3° |
| C25 | C16 | H16 | 114.5° | 108.4° |
| C16 | C25 | H25 | 115.9° | 113.0° |
| O3 | C17 | O4 | 108.8° | 109.5° |
| O3 | C17 | C24 | 111.9° | 109.5° |
| O3 | C17 | H17 | 112.8° | 109.5° |
| O4 | C17 | C24 | 98.0° | 109.4° |
| C17 | O4 | C18 | 110.5° | 114.1° |
| O4 | C17 | H17 | 112.6° | 109.5° |
| C17 | C24 | C21 | 115.5° | 109.2° |
| C17 | C24 | O5 | 104.7° | 109.6° |
| C24 | C17 | H17 | 111.8° | 109.5° |
| C17 | C24 | H24 | 109.7° | 109.5° |
| O4 | C18 | C19 | 114.4° | 109.5° |
| O4 | C18 | C20 | 115.8° | 109.4° |
| O4 | C18 | H18 | 103.6° | 109.5° |
| C19 | C18 | C20 | 114.4° | 109.5° |
| C19 | C18 | H18 | 103.2° | 109.4° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C18 | C20 | C21 | 102.6° | 109.2° |
| C20 | C18 | H18 | 103.1° | 109.5° |
| C18 | C20 | H201 | 111.2° | 109.5° |
| C18 | C20 | H202 | 111.1° | 109.5° |
| C20 | C21 | N1 | 112.1° | 109.5° |
| C20 | C21 | C24 | 104.4° | 109.1° |
| C21 | C20 | H201 | 111.2° | 109.5° |
| C21 | C20 | H202 | 111.2° | 109.6° |
| C20 | C21 | H21 | 110.6° | 109.5° |
| N1 | C21 | C24 | 107.8° | 109.6° |
| C21 | N1 | C22 | 115.5° | 111.0° |
| C21 | N1 | C23 | 114.3° | 111.0° |
| N1 | C21 | H21 | 111.1° | 109.5° |
| C21 | C24 | O5 | 105.7° | 109.5° |
| C21 | C24 | H24 | 109.7° | 109.5° |
| C24 | C21 | H21 | 110.6° | 109.6° |
| C22 | N1 | C23 | 109.4° | 111.0° |
| N1 | C22 | H221 | 109.5° | 109.5° |
| N1 | C22 | H222 | 109.5° | 109.4° |
| N1 | C22 | H223 | 109.5° | 109.4° |
| N1 | C23 | H231 | 109.5° | 109.5° |
| N1 | C23 | H232 | 109.5° | 109.5° |
| N1 | C23 | H233 | 109.5° | 109.5° |
| O5 | C24 | H24 | 111.4° | 109.6° |
| C24 | O5 | H5 | 109.5° | 114.0° |
| C26 | C25 | C27 | 96.0° | 108.0° |
| C26 | C25 | H25 | 115.2° | 107.5° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.4° |
| C25 | C27 | C28 | 124.5° | 120.1° |
| C27 | C25 | H25 | 116.1° | 109.5° |
| C25 | C27 | H27 | 117.8° | 119.8° |
| C27 | C28 | C29 | 120.1° | 120.3° |
| C28 | C27 | H27 | 117.7° | 120.0° |
| C27 | C28 | H28 | 120.0° | 119.5° |
| C28 | C29 | O6 | 125.8° | 119.5° |
| C29 | C28 | H28 | 119.9° | 120.1° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H31C | C3 | H33C | 109.5° | 109.5° |
| H32C | C3 | H33C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.4° |
| H51C | C5 | H53C | 109.5° | 109.5° |
| H52C | C5 | H53C | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 108.3° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H233 | 109.4° | 109.4° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C4 | 108.8° | 120.8° |
| O1 | C1 | C2 | HA | 125.2° | 120.0° |
| O1 | C1 | C4 | HA | 134.2° | 120.5° |
| O1 | C1 | C2 | C3 | 74.6° | 65.0° |
| O1 | C1 | C4 | C5 | 175.8° | 164.3° |
| O1 | C1 | C4 | C6 | 73.1° | 44.6° |
| C1 | O1 | C29 | C28 | 156.7° | 177.3° |
| C1 | O1 | C29 | O6 | 25.5° | 1.8° |
| O1 | C1 | C2 | H21C | 165.0° | 175.0° |
| O1 | C1 | C2 | H22C | 45.7° | 55.0° |
| O1 | C1 | C4 | H4 | 60.3° | 75.4° |
| C29 | O1 | C1 | C2 | 156.1° | 155.7° |
| C29 | O1 | C1 | C4 | 100.4° | 84.2° |
| O1 | C29 | C28 | C27 | 158.6° | 173.7° |
| O1 | C29 | C28 | O6 | 177.8° | 179.1° |
| C29 | O1 | C1 | HA | 32.7° | 36.0° |
| O1 | C29 | C28 | H28 | 21.4° | 6.5° |
| C2 | C1 | C4 | HA | 125.6° | 119.2° |
| C1 | C2 | C3 | H21C | 120.4° | 120.0° |
| C1 | C2 | C3 | H22C | 120.4° | 120.0° |
| C2 | C1 | C4 | C5 | 84.0° | 75.3° |
| C2 | C1 | C4 | C6 | 173.3° | 165.0° |
| C1 | C2 | H21C | H22C | 118.9° | 120.0° |
| C2 | C1 | C4 | H4 | 39.8° | 45.0° |
| C1 | C2 | C3 | H31C | 180.0° | 60.0° |
| C1 | C2 | C3 | H32C | 60.0° | 180.0° |
| C1 | C2 | C3 | H33C | 60.0° | 60.0° |
| C4 | C1 | C2 | C3 | 176.5° | 174.2° |
| C1 | C4 | C5 | C6 | 113.1° | 119.7° |
| C1 | C4 | C5 | H4 | 123.9° | 120.2° |
| C1 | C4 | C6 | H4 | 133.4° | 120.2° |
| C1 | C4 | C6 | C7 | 92.7° | 105.1° |
| C4 | C1 | C2 | H21C | 56.1° | 54.2° |
| C4 | C1 | C2 | H22C | 63.1° | 65.8° |
| C1 | C4 | C5 | H51C | 180.0° | 60.1° |
| C1 | C4 | C5 | H52C | 60.0° | 180.0° |
| C1 | C4 | C5 | H53C | 60.0° | 60.0° |
| C1 | C4 | C6 | H6 | 87.3° | 75.2° |
| C3 | C2 | C1 | HA | 50.6° | 55.0° |
| C3 | C2 | H21C | H22C | 118.9° | 120.0° |
| C2 | C3 | H31C | H32C | 120.0° | 120.0° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C5 | C4 | C6 | H4 | 122.9° | 120.2° |
| C5 | C4 | C6 | C7 | 163.6° | 135.3° |
| C5 | C4 | C1 | HA | 41.7° | 43.9° |
| C4 | C5 | H51C | H52C | 120.0° | 119.9° |
| C4 | C5 | H51C | H53C | 120.0° | 120.1° |
| C4 | C5 | H52C | H53C | 120.0° | 120.1° |
| C5 | C4 | C6 | H6 | 16.4° | 44.4° |
| C4 | C6 | C7 | H6 | 180.0° | 179.8° |
| C4 | C6 | C7 | C8 | 166.0° | 177.1° |
| C6 | C4 | C1 | HA | 61.1° | 75.8° |
| C6 | C4 | C5 | H51C | 66.9° | 59.6° |
| C6 | C4 | C5 | H52C | 173.1° | 60.3° |
| C6 | C4 | C5 | H53C | 53.1° | 179.7° |
| C4 | C6 | C7 | H7 | 13.9° | 3.2° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 174.1° | 179.8° |
| C7 | C6 | C4 | H4 | 40.7° | 15.1° |
| C6 | C7 | C8 | H8 | 5.9° | 0.8° |
| C7 | C8 | C9 | H8 | 180.0° | 179.4° |
| C7 | C8 | C9 | C10 | 174.2° | 177.1° |
| C8 | C7 | C6 | H6 | 13.9° | 3.1° |
| C7 | C8 | C9 | H9 | 5.9° | 3.6° |
| C8 | C9 | C10 | H9 | 180.0° | 179.3° |
| C8 | C9 | C10 | O2 | 0.3° | 15.4° |
| C8 | C9 | C10 | C11 | 156.7° | 104.8° |
| C9 | C8 | C7 | H7 | 5.9° | 0.6° |
| C8 | C9 | C10 | H10 | 102.6° | 136.7° |
| C9 | C10 | O2 | C11 | 156.1° | 119.5° |
| C9 | C10 | O2 | H10 | 102.2° | 121.1° |
| C9 | C10 | C11 | H10 | 100.6° | 119.0° |
| C9 | C10 | C11 | C12 | 82.5° | 86.8° |
| C9 | C10 | C11 | C13 | 42.1° | 33.5° |
| C10 | C9 | C8 | H8 | 5.8° | 3.5° |
| C9 | C10 | O2 | H2 | 180.0° | 60.0° |
| C9 | C10 | C11 | H11 | 163.2° | 153.8° |
| O2 | C10 | C11 | H10 | 102.4° | 120.1° |
| O2 | C10 | C11 | C12 | 120.5° | 152.2° |
| O2 | C10 | C11 | C13 | 114.8° | 87.5° |
| O2 | C10 | C9 | H9 | 179.7° | 163.9° |
| O2 | C10 | C11 | H11 | 6.3° | 32.8° |
| C10 | C11 | C12 | C13 | 126.2° | 119.6° |
| C10 | C11 | C12 | H11 | 115.0° | 119.4° |
| C10 | C11 | C13 | H11 | 121.5° | 120.1° |
| C10 | C11 | C13 | C14 | 60.5° | 175.6° |
| C11 | C10 | C9 | H9 | 23.4° | 75.9° |
| C11 | C10 | O2 | H2 | 23.9° | 179.5° |
| C10 | C11 | C12 | H121 | 180.0° | 60.0° |
| C10 | C11 | C12 | H122 | 60.0° | 180.0° |
| C10 | C11 | C12 | H123 | 60.0° | 60.0° |
| C10 | C11 | C13 | H131 | 59.7° | 55.0° |
| C10 | C11 | C13 | H132 | 179.4° | 63.4° |
| C12 | C11 | C13 | H11 | 118.7° | 120.7° |
| C12 | C11 | C13 | C14 | 179.7° | 65.2° |
| C12 | C11 | C10 | H10 | 18.1° | 32.2° |
| C11 | C12 | H121 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H123 | 120.0° | 120.0° |
| C11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C11 | C13 | H131 | 60.2° | 174.2° |
| C12 | C11 | C13 | H132 | 59.5° | 55.8° |
| C11 | C13 | C14 | H131 | 120.2° | 120.3° |
| C11 | C13 | C14 | H132 | 120.1° | 121.2° |
| C11 | C13 | C14 | C15 | 67.9° | 110.8° |
| C11 | C13 | C14 | C16 | 176.0° | 124.6° |
| C13 | C11 | C10 | H10 | 142.7° | 152.5° |
| C13 | C11 | C12 | H121 | 53.8° | 179.6° |
| C13 | C11 | C12 | H122 | 66.2° | 60.4° |
| C13 | C11 | C12 | H123 | 173.8° | 59.6° |
| C11 | C13 | H131 | H132 | 119.5° | 119.4° |
| C11 | C13 | C14 | H14 | 53.6° | 6.9° |
| C13 | C14 | C15 | C16 | 124.0° | 123.8° |
| C13 | C14 | C15 | H14 | 121.3° | 118.0° |
| C13 | C14 | C16 | H14 | 130.1° | 118.2° |
| C13 | C14 | C16 | O3 | 45.0° | 156.8° |
| C13 | C14 | C16 | C25 | 64.8° | 81.1° |
| C14 | C13 | C11 | H11 | 61.0° | 55.6° |
| C14 | C13 | H131 | H132 | 119.5° | 119.2° |
| C13 | C14 | C15 | H151 | 180.0° | 60.0° |
| C13 | C14 | C15 | H152 | 60.0° | 180.0° |
| C13 | C14 | C15 | H153 | 60.0° | 59.9° |
| C13 | C14 | C16 | H16 | 169.8° | 39.7° |
| C15 | C14 | C16 | H14 | 114.4° | 118.2° |
| C15 | C14 | C16 | O3 | 70.5° | 79.6° |
| C15 | C14 | C16 | C25 | 179.7° | 42.5° |
| C15 | C14 | C13 | H131 | 172.0° | 128.9° |
| C15 | C14 | C13 | H132 | 52.3° | 10.4° |
| C14 | C15 | H151 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H153 | 120.0° | 120.0° |
| C14 | C15 | H152 | H153 | 120.0° | 120.1° |
| C15 | C14 | C16 | H16 | 54.4° | 163.3° |
| C14 | C16 | O3 | C25 | 108.0° | 124.8° |
| C14 | C16 | O3 | H16 | 124.3° | 117.7° |
| C14 | C16 | C25 | H16 | 125.3° | 120.9° |
| C14 | C16 | O3 | C17 | 135.5° | 97.2° |
| C14 | C16 | C25 | C26 | 176.7° | 163.5° |
| C14 | C16 | C25 | C27 | 75.6° | 78.4° |
| C16 | C14 | C13 | H131 | 63.8° | 4.4° |
| C16 | C14 | C13 | H132 | 55.9° | 114.2° |
| C16 | C14 | C15 | H151 | 56.0° | 176.2° |
| C16 | C14 | C15 | H152 | 64.0° | 56.2° |
| C16 | C14 | C15 | H153 | 176.0° | 63.9° |
| C14 | C16 | C25 | H25 | 52.6° | 44.5° |
| O3 | C16 | C25 | H16 | 128.1° | 117.1° |
| C16 | O3 | C17 | O4 | 78.9° | 70.8° |
| C16 | O3 | C17 | C24 | 173.9° | 169.3° |
| O3 | C16 | C25 | C26 | 76.8° | 41.4° |
| O3 | C16 | C25 | C27 | 177.8° | 159.5° |
| O3 | C16 | C14 | H14 | 175.1° | 38.7° |
| O3 | C16 | C25 | H25 | 53.9° | 77.6° |
| C16 | O3 | C17 | H17 | 46.8° | 49.2° |
| C25 | C16 | O3 | C17 | 116.5° | 138.1° |
| C16 | C25 | C26 | C27 | 106.4° | 119.5° |
| C16 | C25 | C26 | H25 | 131.1° | 122.5° |
| C16 | C25 | C27 | H25 | 128.1° | 125.0° |
| C16 | C25 | C27 | C28 | 145.5° | 127.7° |
| C25 | C16 | C14 | H14 | 65.3° | 160.7° |
| C16 | C25 | C26 | H261 | 180.0° | 60.3° |
| C16 | C25 | C26 | H262 | 60.0° | 179.7° |
| C16 | C25 | C26 | H263 | 60.0° | 59.7° |
| C16 | C25 | C27 | H27 | 34.4° | 52.5° |
| O3 | C17 | O4 | C24 | 116.5° | 120.0° |
| O3 | C17 | O4 | H17 | 125.8° | 120.0° |
| O3 | C17 | C24 | H17 | 127.6° | 120.0° |
| O3 | C17 | O4 | C18 | 177.2° | 178.8° |
| O3 | C17 | C24 | C21 | 178.1° | 177.5° |
| O3 | C17 | C24 | O5 | 62.4° | 62.5° |
| C17 | O3 | C16 | H16 | 11.2° | 20.6° |
| O3 | C17 | C24 | H24 | 57.3° | 57.7° |
| O4 | C17 | C24 | H17 | 118.4° | 120.0° |
| C17 | O4 | C18 | C19 | 156.0° | 178.8° |
| C17 | O4 | C18 | C20 | 67.8° | 61.2° |
| O4 | C17 | C24 | C21 | 67.8° | 57.6° |
| O4 | C17 | C24 | O5 | 176.4° | 177.5° |
| O4 | C17 | C24 | H24 | 56.7° | 62.3° |
| C17 | O4 | C18 | H18 | 44.4° | 58.9° |
| C24 | C17 | O4 | C18 | 60.7° | 61.2° |
| C17 | C24 | C21 | C20 | 70.1° | 56.9° |
| C17 | C24 | C21 | N1 | 170.5° | 176.8° |
| C17 | C24 | C21 | O5 | 115.2° | 120.0° |
| C17 | C24 | C21 | H24 | 124.6° | 119.8° |
| C17 | C24 | O5 | H24 | 118.5° | 120.2° |
| C17 | C24 | C21 | H21 | 48.9° | 63.0° |
| C17 | C24 | O5 | H5 | 180.0° | 60.0° |
| O4 | C18 | C19 | C20 | 136.9° | 119.9° |
| O4 | C18 | C19 | H18 | 111.8° | 120.0° |
| O4 | C18 | C20 | H18 | 112.4° | 120.0° |
| O4 | C18 | C20 | C21 | 61.7° | 57.6° |
| C18 | O4 | C17 | H17 | 57.0° | 58.8° |
| O4 | C18 | C19 | H191 | 180.0° | 60.0° |
| O4 | C18 | C19 | H192 | 60.0° | 180.0° |
| O4 | C18 | C19 | H193 | 60.0° | 60.0° |
| O4 | C18 | C20 | H201 | 57.2° | 62.3° |
| O4 | C18 | C20 | H202 | 179.4° | 177.5° |
| C19 | C18 | C20 | H18 | 111.2° | 120.0° |
| C19 | C18 | C20 | C21 | 162.0° | 177.6° |
| C18 | C19 | H191 | H192 | 120.0° | 120.1° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C18 | C20 | H201 | 79.1° | 57.7° |
| C19 | C18 | C20 | H202 | 43.1° | 62.5° |
| C18 | C20 | C21 | H201 | 118.9° | 119.9° |
| C18 | C20 | C21 | H202 | 118.9° | 119.9° |
| C18 | C20 | C21 | N1 | 173.2° | 176.9° |
| C18 | C20 | C21 | C24 | 56.8° | 57.0° |
| C20 | C18 | C19 | H191 | 43.1° | 179.9° |
| C20 | C18 | C19 | H192 | 76.9° | 60.0° |
| C20 | C18 | C19 | H193 | 163.1° | 60.0° |
| C18 | C20 | H201 | H202 | 123.1° | 120.1° |
| C18 | C20 | C21 | H21 | 62.2° | 63.0° |
| C20 | C21 | N1 | C24 | 114.3° | 119.6° |
| C20 | C21 | N1 | H21 | 124.3° | 120.1° |
| C20 | C21 | C24 | H21 | 119.0° | 119.9° |
| C20 | C21 | N1 | C22 | 33.7° | 53.6° |
| C20 | C21 | N1 | C23 | 94.6° | 70.4° |
| C20 | C21 | C24 | O5 | 174.7° | 176.9° |
| C20 | C21 | C24 | H24 | 54.5° | 62.9° |
| C21 | C20 | C18 | H18 | 50.8° | 62.4° |
| C21 | C20 | H201 | H202 | 123.2° | 120.2° |
| N1 | C21 | C24 | H21 | 121.6° | 120.2° |
| C21 | N1 | C22 | C23 | 130.6° | 124.0° |
| N1 | C21 | C24 | O5 | 55.3° | 63.2° |
| N1 | C21 | C24 | H24 | 64.9° | 57.0° |
| N1 | C21 | C20 | H201 | 54.3° | 57.0° |
| N1 | C21 | C20 | H202 | 67.9° | 63.2° |
| C21 | N1 | C22 | H221 | 180.0° | 60.0° |
| C21 | N1 | C22 | H222 | 60.0° | 180.0° |
| C21 | N1 | C22 | H223 | 60.0° | 60.0° |
| C21 | N1 | C23 | H231 | 180.0° | 53.9° |
| C21 | N1 | C23 | H232 | 60.0° | 173.8° |
| C21 | N1 | C23 | H233 | 60.0° | 66.1° |
| C24 | C21 | N1 | C22 | 80.6° | 66.1° |
| C24 | C21 | N1 | C23 | 151.1° | 170.0° |
| C21 | C24 | O5 | H24 | 119.1° | 120.1° |
| C21 | C24 | C17 | H17 | 50.5° | 62.4° |
| C24 | C21 | C20 | H201 | 62.1° | 63.0° |
| C24 | C21 | C20 | H202 | 175.7° | 176.9° |
| C21 | C24 | O5 | H5 | 57.6° | 179.7° |
| C22 | N1 | C21 | H21 | 158.0° | 173.7° |
| N1 | C22 | H221 | H222 | 120.0° | 120.0° |
| N1 | C22 | H221 | H223 | 120.0° | 120.0° |
| N1 | C22 | H222 | H223 | 120.0° | 119.9° |
| C22 | N1 | C23 | H231 | 48.7° | 177.8° |
| C22 | N1 | C23 | H232 | 71.3° | 62.3° |
| C22 | N1 | C23 | H233 | 168.7° | 57.8° |
| C23 | N1 | C21 | H21 | 29.8° | 49.7° |
| C23 | N1 | C22 | H221 | 49.4° | 64.0° |
| C23 | N1 | C22 | H222 | 169.3° | 56.0° |
| C23 | N1 | C22 | H223 | 70.7° | 176.0° |
| N1 | C23 | H231 | H232 | 120.0° | 120.0° |
| N1 | C23 | H231 | H233 | 120.0° | 120.0° |
| N1 | C23 | H232 | H233 | 120.0° | 120.1° |
| O5 | C24 | C17 | H17 | 65.3° | 57.5° |
| O5 | C24 | C21 | H21 | 66.3° | 57.0° |
| C26 | C25 | C27 | H25 | 121.8° | 116.7° |
| C26 | C25 | C27 | C28 | 104.4° | 114.0° |
| C26 | C25 | C16 | H16 | 51.3° | 75.6° |
| C25 | C26 | H261 | H262 | 120.0° | 120.1° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C25 | C27 | H27 | 75.6° | 65.7° |
| C25 | C27 | C28 | H27 | 180.0° | 179.8° |
| C25 | C27 | C28 | C29 | 178.3° | 178.9° |
| C27 | C25 | C16 | H16 | 49.7° | 42.4° |
| C27 | C25 | C26 | H261 | 73.6° | 59.2° |
| C27 | C25 | C26 | H262 | 166.4° | 60.8° |
| C27 | C25 | C26 | H263 | 46.3° | 179.2° |
| C25 | C27 | C28 | H28 | 1.6° | 0.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.8° |
| C27 | C28 | C29 | O6 | 19.2° | 7.2° |
| C28 | C27 | C25 | H25 | 17.4° | 2.7° |
| C29 | C28 | C27 | H27 | 1.7° | 0.9° |
| O6 | C29 | C28 | H28 | 160.7° | 172.6° |
| HA | C1 | C2 | H21C | 69.8° | 65.0° |
| HA | C1 | C2 | H22C | 170.9° | 175.0° |
| HA | C1 | C4 | H4 | 165.5° | 164.1° |
| H21C | C2 | C3 | H31C | 59.7° | 60.0° |
| H21C | C2 | C3 | H32C | 179.7° | 60.0° |
| H21C | C2 | C3 | H33C | 60.3° | 180.0° |
| H22C | C2 | C3 | H31C | 59.6° | 180.0° |
| H22C | C2 | C3 | H32C | 60.4° | 60.0° |
| H22C | C2 | C3 | H33C | 179.6° | 60.0° |
| H4 | C4 | C5 | H51C | 56.1° | 179.7° |
| H4 | C4 | C5 | H52C | 63.9° | 59.8° |
| H4 | C4 | C5 | H53C | 176.2° | 60.2° |
| H4 | C4 | C6 | H6 | 139.3° | 164.7° |
| H31C | C3 | H32C | H33C | 120.0° | 120.0° |
| H51C | C5 | H52C | H53C | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 166.1° | 176.6° |
| H7 | C7 | C8 | H8 | 174.1° | 178.9° |
| H8 | C8 | C9 | H9 | 174.2° | 175.8° |
| H9 | C9 | C10 | H10 | 77.4° | 42.6° |
| H10 | C10 | O2 | H2 | 77.8° | 61.1° |
| H10 | C10 | C11 | H11 | 96.2° | 87.3° |
| H11 | C11 | C12 | H121 | 65.1° | 59.4° |
| H11 | C11 | C12 | H122 | 175.0° | 60.6° |
| H11 | C11 | C12 | H123 | 55.0° | 179.4° |
| H11 | C11 | C13 | H131 | 178.9° | 65.1° |
| H11 | C11 | C13 | H132 | 59.2° | 176.5° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H131 | C13 | C14 | H14 | 66.6° | 113.4° |
| H132 | C13 | C14 | H14 | 173.7° | 128.1° |
| H14 | C14 | C15 | H151 | 58.7° | 58.0° |
| H14 | C14 | C15 | H152 | 178.7° | 61.9° |
| H14 | C14 | C15 | H153 | 61.3° | 178.0° |
| H14 | C14 | C16 | H16 | 60.1° | 78.5° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H16 | C16 | C25 | H25 | 177.9° | 165.4° |
| H25 | C25 | C26 | H261 | 48.9° | 177.2° |
| H25 | C25 | C26 | H262 | 71.1° | 57.2° |
| H25 | C25 | C26 | H263 | 168.9° | 62.7° |
| H25 | C25 | C27 | H27 | 162.6° | 177.5° |
| H17 | C17 | C24 | H24 | 175.1° | 177.8° |
| H24 | C24 | C21 | H21 | 173.5° | 177.2° |
| H24 | C24 | O5 | H5 | 61.5° | 60.2° |
| H18 | C18 | C19 | H191 | 68.2° | 60.0° |
| H18 | C18 | C19 | H192 | 171.9° | 60.0° |
| H18 | C18 | C19 | H193 | 51.8° | 180.0° |
| H18 | C18 | C20 | H201 | 169.7° | 177.7° |
| H18 | C18 | C20 | H202 | 68.2° | 57.5° |
| H191 | C19 | H192 | H193 | 120.0° | 119.9° |
| H201 | C20 | C21 | H21 | 178.9° | 177.1° |
| H202 | C20 | C21 | H21 | 56.7° | 56.9° |
| H221 | C22 | H222 | H223 | 120.0° | 120.1° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H27 | C27 | C28 | H28 | 178.4° | 179.3° |
