NRB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | sing | 1.45Å | 1.50Å | |
| C3 | C27 | sing | 1.54Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | C4 | sing | 1.34Å | 1.40Å | |
| C4 | O2 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C7 | sing | 1.50Å | 1.54Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C6 | H6C3 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.22Å | 1.25Å | |
| C7 | C8 | sing | 1.50Å | 1.57Å | |
| C8 | C9 | sing | 1.52Å | 1.56Å | |
| C8 | C10 | sing | 1.52Å | 1.59Å | |
| C8 | H8 | sing | 1.12Å | 1.10Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| C9 | H9C3 | sing | 1.09Å | 1.10Å | |
| C10 | O4 | sing | 1.44Å | 1.49Å | |
| C10 | C19 | sing | 1.53Å | 1.63Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| O4 | C11 | sing | 1.43Å | 1.47Å | |
| C11 | O5 | sing | 1.43Å | 1.48Å | |
| C11 | C18 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O5 | C12 | sing | 1.43Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.58Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | N1 | sing | 1.47Å | 1.51Å | |
| C15 | C18 | sing | 1.53Å | 1.60Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | C16 | sing | 1.47Å | 1.49Å | |
| N1 | C17 | sing | 1.47Å | 1.48Å | |
| 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 | O6 | sing | 1.43Å | 1.45Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C19 | C20 | sing | 1.52Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.59Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.52Å | 1.53Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C22 | C23 | sing | 1.52Å | 1.54Å | |
| C22 | C24 | sing | 1.50Å | 1.54Å | |
| C22 | H22 | sing | 1.12Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | O7 | doub | 1.22Å | 1.23Å | |
| C24 | C25 | sing | 1.46Å | 1.48Å | |
| C25 | C26 | doub | 1.33Å | 1.33Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.50Å | 1.51Å | |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C27 | C28 | sing | 1.52Å | 1.57Å | |
| C27 | H27 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1C1 | 109.5° | 109.5° |
| C2 | C1 | H1C2 | 109.5° | 109.4° |
| C2 | C1 | H1C3 | 109.5° | 109.4° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C1 | C2 | H2C1 | 109.1° | 109.5° |
| C1 | C2 | H2C2 | 109.3° | 109.5° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H1C1 | C1 | H1C3 | 109.4° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
| C3 | C2 | H2C1 | 109.1° | 109.4° |
| C3 | C2 | H2C2 | 109.3° | 109.4° |
| C2 | C3 | O1 | 113.7° | 109.6° |
| C2 | C3 | C27 | 108.4° | 109.0° |
| C2 | C3 | H3 | 107.6° | 109.4° |
| H2C1 | C2 | H2C2 | 110.0° | 109.5° |
| O1 | C3 | C27 | 110.2° | 110.0° |
| O1 | C3 | H3 | 105.7° | 109.7° |
| C3 | O1 | C4 | 126.5° | 121.1° |
| C27 | C3 | H3 | 111.2° | 109.1° |
| C3 | C27 | C26 | 107.0° | 109.3° |
| C3 | C27 | C28 | 109.5° | 109.2° |
| C3 | C27 | H27 | 112.4° | 108.3° |
| O1 | C4 | O2 | 121.6° | 120.3° |
| O1 | C4 | C5 | 118.8° | 120.3° |
| O2 | C4 | C5 | 119.6° | 119.4° |
| C4 | C5 | C6 | 112.2° | 108.5° |
| C4 | C5 | C7 | 111.8° | 109.1° |
| C4 | C5 | H5 | 105.7° | 108.8° |
| C6 | C5 | C7 | 108.6° | 109.4° |
| C6 | C5 | H5 | 109.0° | 109.1° |
| C5 | C6 | H6C1 | 109.5° | 109.5° |
| C5 | C6 | H6C2 | 109.5° | 109.4° |
| C5 | C6 | H6C3 | 109.5° | 109.5° |
| C7 | C5 | H5 | 109.5° | 111.8° |
| C5 | C7 | O3 | 118.2° | 117.8° |
| C5 | C7 | C8 | 120.6° | 124.3° |
| H6C1 | C6 | H6C2 | 109.5° | 109.5° |
| H6C1 | C6 | H6C3 | 109.5° | 109.5° |
| H6C2 | C6 | H6C3 | 109.5° | 109.5° |
| O3 | C7 | C8 | 121.0° | 118.0° |
| C7 | C8 | C9 | 108.1° | 113.9° |
| C7 | C8 | C10 | 115.1° | 112.2° |
| C7 | C8 | H8 | 106.5° | 105.4° |
| C9 | C8 | C10 | 109.1° | 113.2° |
| C9 | C8 | H8 | 112.8° | 105.6° |
| C8 | C9 | H9C1 | 109.5° | 109.5° |
| C8 | C9 | H9C2 | 109.5° | 109.5° |
| C8 | C9 | H9C3 | 109.5° | 109.5° |
| C10 | C8 | H8 | 105.4° | 105.7° |
| C8 | C10 | O4 | 112.4° | 109.0° |
| C8 | C10 | C19 | 118.1° | 115.2° |
| C8 | C10 | H10 | 99.7° | 108.6° |
| H9C1 | C9 | H9C2 | 109.5° | 109.4° |
| H9C1 | C9 | H9C3 | 109.5° | 109.4° |
| H9C2 | C9 | H9C3 | 109.4° | 109.5° |
| O4 | C10 | C19 | 105.4° | 108.5° |
| O4 | C10 | H10 | 113.8° | 107.3° |
| C10 | O4 | C11 | 109.1° | 106.8° |
| C19 | C10 | H10 | 107.6° | 107.9° |
| C10 | C19 | C20 | 111.0° | 110.5° |
| C10 | C19 | C21 | 107.5° | 107.8° |
| C10 | C19 | H19 | 111.4° | 108.7° |
| O4 | C11 | O5 | 113.8° | 109.4° |
| O4 | C11 | C18 | 110.9° | 109.4° |
| O4 | C11 | H11 | 106.2° | 109.4° |
| O5 | C11 | C18 | 111.6° | 109.7° |
| O5 | C11 | H11 | 105.3° | 109.4° |
| C11 | O5 | C12 | 109.6° | 107.6° |
| C18 | C11 | H11 | 108.6° | 109.4° |
| C11 | C18 | C15 | 106.7° | 109.0° |
| C11 | C18 | O6 | 109.5° | 109.7° |
| C11 | C18 | H18 | 111.6° | 109.5° |
| O5 | C12 | C13 | 111.2° | 109.4° |
| O5 | C12 | C14 | 108.9° | 109.8° |
| O5 | C12 | H12 | 109.1° | 109.4° |
| C13 | C12 | C14 | 110.6° | 109.4° |
| C13 | C12 | H12 | 107.3° | 109.4° |
| C12 | C13 | H131 | 109.4° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C14 | C12 | H12 | 109.7° | 109.4° |
| C12 | C14 | C15 | 109.2° | 109.0° |
| C12 | C14 | H141 | 109.6° | 109.5° |
| C12 | C14 | H142 | 109.6° | 109.6° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| C15 | C14 | H141 | 109.6° | 109.6° |
| C15 | C14 | H142 | 109.6° | 109.6° |
| C14 | C15 | N1 | 109.8° | 109.6° |
| C14 | C15 | C18 | 109.7° | 108.6° |
| C14 | C15 | H15 | 110.2° | 109.6° |
| H141 | C14 | H142 | 109.3° | 109.6° |
| N1 | C15 | C18 | 112.5° | 109.8° |
| N1 | C15 | H15 | 107.2° | 109.6° |
| C15 | N1 | C16 | 110.7° | 106.7° |
| C15 | N1 | C17 | 109.2° | 106.7° |
| C18 | C15 | H15 | 107.4° | 109.7° |
| C15 | C18 | O6 | 110.5° | 109.6° |
| C15 | C18 | H18 | 110.6° | 109.6° |
| C16 | N1 | C17 | 107.9° | 106.7° |
| N1 | C16 | H161 | 109.5° | 109.5° |
| N1 | C16 | H162 | 109.5° | 109.5° |
| N1 | C16 | H163 | 109.5° | 109.5° |
| N1 | C17 | H171 | 109.4° | 109.5° |
| N1 | C17 | H172 | 109.5° | 109.5° |
| N1 | C17 | H173 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H163 | 109.4° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| O6 | C18 | H18 | 108.0° | 109.5° |
| C18 | O6 | H6 | 109.5° | 106.8° |
| C20 | C19 | C21 | 113.8° | 110.7° |
| C20 | C19 | H19 | 104.7° | 109.7° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.4° |
| C21 | C19 | H19 | 108.4° | 109.3° |
| C19 | C21 | C22 | 124.8° | 115.7° |
| C19 | C21 | H211 | 101.1° | 108.1° |
| C19 | C21 | H212 | 104.7° | 108.3° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| C22 | C21 | H211 | 101.0° | 108.7° |
| C22 | C21 | H212 | 104.6° | 109.0° |
| C21 | C22 | C23 | 116.7° | 113.4° |
| C21 | C22 | C24 | 107.9° | 111.2° |
| C21 | C22 | H22 | 106.0° | 106.6° |
| H211 | C21 | H212 | 122.5° | 106.6° |
| C23 | C22 | C24 | 110.9° | 112.5° |
| C23 | C22 | H22 | 102.8° | 106.4° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C24 | C22 | H22 | 112.5° | 106.2° |
| C22 | C24 | O7 | 118.2° | 118.8° |
| C22 | C24 | C25 | 123.6° | 122.8° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.4° |
| O7 | C24 | C25 | 118.2° | 118.5° |
| C24 | C25 | C26 | 121.7° | 119.7° |
| C24 | C25 | H25 | 119.2° | 118.6° |
| C26 | C25 | H25 | 119.2° | 121.7° |
| C25 | C26 | C27 | 125.5° | 124.5° |
| C25 | C26 | H26 | 117.3° | 117.6° |
| C27 | C26 | H26 | 117.2° | 118.0° |
| C26 | C27 | C28 | 113.0° | 112.0° |
| C26 | C27 | H27 | 108.8° | 109.0° |
| C28 | C27 | H27 | 106.3° | 108.9° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.4° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.4° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| C2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| C2 | C1 | H1C2 | H1C3 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2C1 | 119.7° | 120.0° |
| C1 | C2 | C3 | H2C2 | 120.0° | 120.0° |
| C1 | C2 | H2C1 | H2C2 | 119.8° | 120.0° |
| C1 | C2 | C3 | O1 | 128.4° | 65.3° |
| C1 | C2 | C3 | C27 | 108.6° | 174.3° |
| C1 | C2 | C3 | H3 | 11.8° | 55.0° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.1° |
| H1C1 | C1 | C2 | C3 | 34.2° | 180.0° |
| H1C1 | C1 | C2 | H2C1 | 85.6° | 60.0° |
| H1C1 | C1 | C2 | H2C2 | 154.2° | 60.0° |
| H1C2 | C1 | C2 | C3 | 85.8° | 60.0° |
| H1C2 | C1 | C2 | H2C1 | 154.4° | 60.0° |
| H1C2 | C1 | C2 | H2C2 | 34.2° | 180.0° |
| H1C3 | C1 | C2 | C3 | 154.2° | 60.0° |
| H1C3 | C1 | C2 | H2C1 | 34.4° | 180.0° |
| H1C3 | C1 | C2 | H2C2 | 85.8° | 60.0° |
| C3 | C2 | H2C1 | H2C2 | 119.8° | 120.0° |
| C2 | C3 | O1 | C27 | 122.0° | 119.9° |
| C2 | C3 | O1 | H3 | 117.8° | 120.1° |
| C2 | C3 | C27 | H3 | 118.1° | 119.5° |
| C2 | C3 | O1 | C4 | 99.9° | 92.3° |
| C2 | C3 | C27 | C26 | 169.3° | 168.7° |
| C2 | C3 | C27 | C28 | 67.9° | 68.4° |
| C2 | C3 | C27 | H27 | 50.0° | 50.0° |
| H2C1 | C2 | C3 | O1 | 111.9° | 54.7° |
| H2C1 | C2 | C3 | C27 | 11.1° | 65.7° |
| H2C1 | C2 | C3 | H3 | 131.5° | 175.0° |
| H2C2 | C2 | C3 | O1 | 8.4° | 174.7° |
| H2C2 | C2 | C3 | C27 | 131.4° | 54.2° |
| H2C2 | C2 | C3 | H3 | 108.2° | 65.0° |
| O1 | C3 | C27 | H3 | 116.9° | 120.4° |
| C3 | O1 | C4 | O2 | 1.1° | 4.2° |
| C3 | O1 | C4 | C5 | 178.5° | 175.4° |
| O1 | C3 | C27 | C26 | 65.7° | 71.2° |
| O1 | C3 | C27 | C28 | 57.2° | 51.7° |
| O1 | C3 | C27 | H27 | 175.0° | 170.2° |
| C27 | C3 | O1 | C4 | 138.1° | 147.8° |
| C3 | C27 | C26 | C25 | 137.7° | 116.7° |
| C3 | C27 | C26 | C28 | 120.6° | 121.2° |
| C3 | C27 | C26 | H27 | 121.6° | 118.2° |
| C3 | C27 | C26 | H26 | 42.3° | 63.2° |
| C3 | C27 | C28 | H27 | 121.6° | 118.1° |
| C3 | C27 | C28 | H281 | 142.1° | 61.3° |
| C3 | C27 | C28 | H282 | 22.1° | 58.7° |
| C3 | C27 | C28 | H283 | 98.0° | 178.7° |
| H3 | C3 | O1 | C4 | 17.9° | 27.8° |
| H3 | C3 | C27 | C26 | 51.2° | 49.2° |
| H3 | C3 | C27 | C28 | 174.1° | 172.1° |
| H3 | C3 | C27 | H27 | 68.1° | 69.4° |
| O1 | C4 | O2 | C5 | 179.6° | 179.6° |
| O1 | C4 | C5 | C6 | 146.5° | 126.3° |
| O1 | C4 | C5 | C7 | 91.2° | 114.6° |
| O1 | C4 | C5 | H5 | 27.8° | 7.7° |
| O2 | C4 | C5 | C6 | 33.1° | 54.1° |
| O2 | C4 | C5 | C7 | 89.2° | 65.0° |
| O2 | C4 | C5 | H5 | 151.7° | 172.8° |
| C4 | C5 | C6 | C7 | 124.0° | 118.9° |
| C4 | C5 | C6 | H5 | 116.7° | 118.4° |
| C4 | C5 | C7 | H5 | 116.8° | 120.4° |
| C4 | C5 | C6 | H6C1 | 123.5° | 60.0° |
| C4 | C5 | C6 | H6C2 | 116.6° | 180.0° |
| C4 | C5 | C6 | H6C3 | 3.5° | 60.1° |
| C4 | C5 | C7 | O3 | 57.8° | 42.8° |
| C4 | C5 | C7 | C8 | 125.6° | 137.4° |
| C6 | C5 | C7 | H5 | 118.9° | 121.0° |
| C5 | C6 | H6C1 | H6C2 | 120.0° | 119.9° |
| C5 | C6 | H6C1 | H6C3 | 120.0° | 120.1° |
| C5 | C6 | H6C2 | H6C3 | 120.0° | 120.0° |
| C6 | C5 | C7 | O3 | 66.5° | 75.7° |
| C6 | C5 | C7 | C8 | 110.2° | 104.1° |
| C7 | C5 | C6 | H6C1 | 0.6° | 178.9° |
| C7 | C5 | C6 | H6C2 | 119.4° | 61.1° |
| C7 | C5 | C6 | H6C3 | 120.6° | 58.9° |
| C5 | C7 | O3 | C8 | 176.6° | 179.8° |
| C5 | C7 | C8 | C9 | 26.3° | 12.9° |
| C5 | C7 | C8 | C10 | 148.5° | 117.3° |
| C5 | C7 | C8 | H8 | 95.1° | 128.2° |
| H5 | C5 | C6 | H6C1 | 119.8° | 58.4° |
| H5 | C5 | C6 | H6C2 | 0.2° | 61.5° |
| H5 | C5 | C6 | H6C3 | 120.2° | 178.5° |
| H5 | C5 | C7 | O3 | 174.6° | 163.3° |
| H5 | C5 | C7 | C8 | 8.8° | 17.0° |
| H6C1 | C6 | H6C2 | H6C3 | 120.0° | 120.0° |
| O3 | C7 | C8 | C9 | 157.2° | 166.9° |
| O3 | C7 | C8 | C10 | 34.9° | 62.9° |
| O3 | C7 | C8 | H8 | 81.4° | 51.6° |
| C7 | C8 | C9 | C10 | 125.9° | 129.7° |
| C7 | C8 | C9 | H8 | 117.4° | 115.2° |
| C7 | C8 | C10 | H8 | 117.0° | 114.4° |
| C7 | C8 | C9 | H9C1 | 59.0° | 53.9° |
| C7 | C8 | C9 | H9C2 | 61.0° | 173.8° |
| C7 | C8 | C9 | H9C3 | 179.0° | 66.1° |
| C7 | C8 | C10 | O4 | 145.4° | 157.0° |
| C7 | C8 | C10 | C19 | 22.3° | 80.8° |
| C7 | C8 | C10 | H10 | 93.7° | 40.4° |
| C9 | C8 | C10 | H8 | 121.3° | 115.1° |
| C8 | C9 | H9C1 | H9C2 | 120.0° | 120.0° |
| C8 | C9 | H9C1 | H9C3 | 120.0° | 120.0° |
| C8 | C9 | H9C2 | H9C3 | 120.0° | 120.1° |
| C9 | C8 | C10 | O4 | 23.7° | 72.4° |
| C9 | C8 | C10 | C19 | 99.4° | 49.8° |
| C9 | C8 | C10 | H10 | 144.6° | 171.0° |
| C10 | C8 | C9 | H9C1 | 66.9° | 75.8° |
| C10 | C8 | C9 | H9C2 | 173.1° | 44.2° |
| C10 | C8 | C9 | H9C3 | 53.1° | 164.3° |
| C8 | C10 | O4 | C19 | 130.0° | 126.2° |
| C8 | C10 | O4 | H10 | 112.4° | 117.5° |
| C8 | C10 | C19 | H10 | 111.7° | 121.6° |
| C8 | C10 | O4 | C11 | 121.6° | 90.0° |
| C8 | C10 | C19 | C20 | 119.6° | 38.4° |
| C8 | C10 | C19 | C21 | 115.3° | 159.6° |
| C8 | C10 | C19 | H19 | 3.3° | 82.1° |
| H8 | C8 | C9 | H9C1 | 176.4° | 169.1° |
| H8 | C8 | C9 | H9C2 | 56.4° | 71.0° |
| H8 | C8 | C9 | H9C3 | 63.6° | 49.1° |
| H8 | C8 | C10 | O4 | 97.6° | 42.7° |
| H8 | C8 | C10 | C19 | 139.2° | 164.9° |
| H8 | C8 | C10 | H10 | 23.3° | 73.9° |
| H9C1 | C9 | H9C2 | H9C3 | 120.0° | 119.9° |
| O4 | C10 | C19 | H10 | 121.7° | 115.9° |
| C10 | O4 | C11 | O5 | 23.8° | 69.9° |
| C10 | O4 | C11 | C18 | 103.1° | 169.9° |
| C10 | O4 | C11 | H11 | 139.1° | 50.0° |
| O4 | C10 | C19 | C20 | 113.9° | 160.9° |
| O4 | C10 | C19 | C21 | 11.2° | 77.9° |
| O4 | C10 | C19 | H19 | 129.9° | 40.4° |
| C19 | C10 | O4 | C11 | 108.5° | 143.8° |
| C10 | C19 | C20 | C21 | 121.5° | 119.4° |
| C10 | C19 | C20 | H19 | 120.3° | 119.9° |
| C10 | C19 | C21 | H19 | 120.5° | 118.0° |
| C10 | C19 | C20 | H201 | 117.9° | 64.4° |
| C10 | C19 | C20 | H202 | 2.1° | 175.6° |
| C10 | C19 | C20 | H203 | 122.1° | 55.6° |
| C10 | C19 | C21 | C22 | 179.0° | 170.3° |
| C10 | C19 | C21 | H211 | 69.1° | 48.2° |
| C10 | C19 | C21 | H212 | 59.0° | 67.0° |
| H10 | C10 | O4 | C11 | 9.1° | 27.4° |
| H10 | C10 | C19 | C20 | 7.9° | 83.2° |
| H10 | C10 | C19 | C21 | 133.0° | 38.0° |
| H10 | C10 | C19 | H19 | 108.4° | 156.3° |
| O4 | C11 | O5 | C18 | 126.4° | 120.1° |
| O4 | C11 | O5 | H11 | 115.9° | 119.8° |
| O4 | C11 | C18 | H11 | 116.3° | 119.9° |
| O4 | C11 | O5 | C12 | 167.5° | 172.3° |
| O4 | C11 | C18 | C15 | 174.5° | 178.6° |
| O4 | C11 | C18 | O6 | 66.0° | 61.5° |
| O4 | C11 | C18 | H18 | 53.5° | 58.8° |
| O5 | C11 | C18 | H11 | 115.7° | 120.1° |
| C11 | O5 | C12 | C13 | 171.1° | 172.4° |
| C11 | O5 | C12 | C14 | 66.7° | 67.6° |
| C11 | O5 | C12 | H12 | 53.0° | 52.5° |
| O5 | C11 | C18 | C15 | 57.5° | 61.4° |
| O5 | C11 | C18 | O6 | 62.0° | 58.6° |
| O5 | C11 | C18 | H18 | 178.5° | 178.8° |
| C18 | C11 | O5 | C12 | 66.1° | 67.7° |
| C11 | C18 | C15 | C14 | 52.6° | 53.8° |
| C11 | C18 | C15 | N1 | 175.1° | 173.6° |
| C11 | C18 | C15 | O6 | 118.9° | 120.1° |
| C11 | C18 | C15 | H18 | 121.6° | 119.7° |
| C11 | C18 | C15 | H15 | 67.1° | 65.9° |
| C11 | C18 | O6 | H18 | 121.7° | 120.2° |
| C11 | C18 | O6 | H6 | 26.5° | 60.4° |
| H11 | C11 | O5 | C12 | 51.6° | 52.4° |
| H11 | C11 | C18 | C15 | 58.1° | 58.7° |
| H11 | C11 | C18 | O6 | 177.7° | 178.7° |
| H11 | C11 | C18 | H18 | 62.8° | 61.1° |
| O5 | C12 | C13 | C14 | 121.1° | 120.3° |
| O5 | C12 | C13 | H12 | 119.2° | 119.9° |
| O5 | C12 | C14 | H12 | 119.3° | 120.1° |
| O5 | C12 | C13 | H131 | 122.9° | 60.0° |
| O5 | C12 | C13 | H132 | 117.0° | 179.9° |
| O5 | C12 | C13 | H133 | 2.9° | 60.0° |
| O5 | C12 | C14 | C15 | 62.4° | 61.3° |
| O5 | C12 | C14 | H141 | 57.7° | 178.9° |
| O5 | C12 | C14 | H142 | 177.6° | 58.6° |
| C13 | C12 | C14 | H12 | 118.2° | 119.9° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C12 | C14 | C15 | 175.1° | 178.7° |
| C13 | C12 | C14 | H141 | 64.8° | 58.8° |
| C13 | C12 | C14 | H142 | 55.1° | 61.4° |
| C14 | C12 | C13 | H131 | 116.0° | 60.3° |
| C14 | C12 | C13 | H132 | 4.1° | 59.7° |
| C14 | C12 | C13 | H133 | 124.0° | 179.8° |
| C12 | C14 | C15 | H141 | 120.1° | 119.8° |
| C12 | C14 | C15 | H142 | 120.0° | 119.9° |
| C12 | C14 | H141 | H142 | 120.1° | 120.2° |
| C12 | C14 | C15 | N1 | 179.9° | 173.7° |
| C12 | C14 | C15 | C18 | 56.1° | 53.8° |
| C12 | C14 | C15 | H15 | 61.9° | 66.1° |
| H12 | C12 | C13 | H131 | 3.7° | 179.9° |
| H12 | C12 | C13 | H132 | 123.7° | 60.2° |
| H12 | C12 | C13 | H133 | 116.3° | 59.9° |
| H12 | C12 | C14 | C15 | 57.0° | 58.8° |
| H12 | C12 | C14 | H141 | 177.1° | 61.0° |
| H12 | C12 | C14 | H142 | 63.0° | 178.7° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| C15 | C14 | H141 | H142 | 120.1° | 120.3° |
| C14 | C15 | N1 | C18 | 122.4° | 119.2° |
| C14 | C15 | N1 | H15 | 119.8° | 120.2° |
| C14 | C15 | C18 | H15 | 119.8° | 119.7° |
| C14 | C15 | N1 | C16 | 130.0° | 175.0° |
| C14 | C15 | N1 | C17 | 111.4° | 61.2° |
| C14 | C15 | C18 | O6 | 66.3° | 66.2° |
| C14 | C15 | C18 | H18 | 174.3° | 173.6° |
| H141 | C14 | C15 | N1 | 60.1° | 66.5° |
| H141 | C14 | C15 | C18 | 64.0° | 173.6° |
| H141 | C14 | C15 | H15 | 178.0° | 53.7° |
| H142 | C14 | C15 | N1 | 59.9° | 53.8° |
| H142 | C14 | C15 | C18 | 176.1° | 66.1° |
| H142 | C14 | C15 | H15 | 58.1° | 174.1° |
| N1 | C15 | C18 | H15 | 117.7° | 120.5° |
| C15 | N1 | C16 | C17 | 119.5° | 113.8° |
| C15 | N1 | C16 | H161 | 3.5° | 179.9° |
| C15 | N1 | C16 | H162 | 116.5° | 60.0° |
| C15 | N1 | C16 | H163 | 123.5° | 60.0° |
| C15 | N1 | C17 | H171 | 24.9° | 66.2° |
| C15 | N1 | C17 | H172 | 144.9° | 173.8° |
| C15 | N1 | C17 | H173 | 95.1° | 53.9° |
| N1 | C15 | C18 | O6 | 56.2° | 53.6° |
| N1 | C15 | C18 | H18 | 63.2° | 66.6° |
| C18 | C15 | N1 | C16 | 7.6° | 65.8° |
| C18 | C15 | N1 | C17 | 126.2° | 179.6° |
| C15 | C18 | O6 | H18 | 121.1° | 120.2° |
| C15 | C18 | O6 | H6 | 143.7° | 180.0° |
| H15 | C15 | N1 | C16 | 110.3° | 54.7° |
| H15 | C15 | N1 | C17 | 8.4° | 59.0° |
| H15 | C15 | C18 | O6 | 174.0° | 174.0° |
| H15 | C15 | C18 | H18 | 54.5° | 53.8° |
| N1 | C16 | H161 | H162 | 120.0° | 120.0° |
| N1 | C16 | H161 | H163 | 120.0° | 120.0° |
| N1 | C16 | H162 | H163 | 120.0° | 120.0° |
| C16 | N1 | C17 | H171 | 95.5° | 180.0° |
| C16 | N1 | C17 | H172 | 24.5° | 60.0° |
| C16 | N1 | C17 | H173 | 144.5° | 59.9° |
| C17 | N1 | C16 | H161 | 116.0° | 66.2° |
| C17 | N1 | C16 | H162 | 124.0° | 173.8° |
| C17 | N1 | C16 | H163 | 4.0° | 53.8° |
| N1 | C17 | H171 | H172 | 120.0° | 120.0° |
| N1 | C17 | H171 | H173 | 120.0° | 120.0° |
| N1 | C17 | H172 | H173 | 120.0° | 120.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.1° |
| H18 | C18 | O6 | H6 | 95.2° | 59.8° |
| C20 | C19 | C21 | H19 | 116.1° | 121.0° |
| C19 | C20 | H201 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H203 | 120.0° | 120.0° |
| C19 | C20 | H202 | H203 | 120.0° | 119.9° |
| C20 | C19 | C21 | C22 | 55.6° | 49.3° |
| C20 | C19 | C21 | H211 | 167.5° | 72.9° |
| C20 | C19 | C21 | H212 | 64.4° | 171.9° |
| C21 | C19 | C20 | H201 | 3.6° | 55.0° |
| C21 | C19 | C20 | H202 | 123.6° | 65.0° |
| C21 | C19 | C20 | H203 | 116.4° | 175.0° |
| C19 | C21 | C22 | H211 | 111.9° | 121.8° |
| C19 | C21 | C22 | H212 | 120.0° | 122.4° |
| C19 | C21 | H211 | H212 | 115.5° | 116.3° |
| C19 | C21 | C22 | C23 | 168.0° | 38.5° |
| C19 | C21 | C22 | C24 | 66.4° | 89.4° |
| C19 | C21 | C22 | H22 | 54.4° | 155.3° |
| H19 | C19 | C20 | H201 | 121.8° | 175.8° |
| H19 | C19 | C20 | H202 | 118.2° | 55.7° |
| H19 | C19 | C20 | H203 | 1.8° | 64.2° |
| H19 | C19 | C21 | C22 | 60.5° | 71.7° |
| H19 | C19 | C21 | H211 | 51.4° | 166.1° |
| H19 | C19 | C21 | H212 | 179.5° | 50.9° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| C22 | C21 | H211 | H212 | 115.4° | 117.3° |
| C21 | C22 | C23 | C24 | 124.1° | 127.2° |
| C21 | C22 | C23 | H22 | 115.5° | 116.8° |
| C21 | C22 | C24 | H22 | 116.6° | 115.6° |
| C21 | C22 | C23 | H231 | 140.9° | 65.3° |
| C21 | C22 | C23 | H232 | 99.1° | 174.7° |
| C21 | C22 | C23 | H233 | 20.9° | 54.8° |
| C21 | C22 | C24 | O7 | 123.6° | 89.1° |
| C21 | C22 | C24 | C25 | 56.4° | 91.0° |
| H211 | C21 | C22 | C23 | 80.0° | 160.4° |
| H211 | C21 | C22 | C24 | 45.6° | 32.4° |
| H211 | C21 | C22 | H22 | 166.3° | 82.9° |
| H212 | C21 | C22 | C23 | 48.0° | 83.8° |
| H212 | C21 | C22 | C24 | 173.6° | 148.3° |
| H212 | C21 | C22 | H22 | 65.7° | 32.9° |
| C23 | C22 | C24 | H22 | 114.4° | 116.1° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H232 | H233 | 120.0° | 119.9° |
| C23 | C22 | C24 | O7 | 107.4° | 142.5° |
| C23 | C22 | C24 | C25 | 72.6° | 37.3° |
| C24 | C22 | C23 | H231 | 94.9° | 61.9° |
| C24 | C22 | C23 | H232 | 25.0° | 58.1° |
| C24 | C22 | C23 | H233 | 145.0° | 178.0° |
| C22 | C24 | O7 | C25 | 180.0° | 179.8° |
| C22 | C24 | C25 | C26 | 149.1° | 146.4° |
| C22 | C24 | C25 | H25 | 30.9° | 35.2° |
| H22 | C22 | C23 | H231 | 25.4° | 177.9° |
| H22 | C22 | C23 | H232 | 145.4° | 57.8° |
| H22 | C22 | C23 | H233 | 94.6° | 62.1° |
| H22 | C22 | C24 | O7 | 7.1° | 26.4° |
| H22 | C22 | C24 | C25 | 172.9° | 153.4° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| O7 | C24 | C25 | C26 | 30.9° | 33.8° |
| O7 | C24 | C25 | H25 | 149.1° | 144.6° |
| C24 | C25 | C26 | H25 | 180.0° | 178.4° |
| C24 | C25 | C26 | C27 | 179.3° | 176.4° |
| C24 | C25 | C26 | H26 | 0.7° | 3.5° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 17.1° | 4.5° |
| C25 | C26 | C27 | H27 | 100.7° | 125.1° |
| H25 | C25 | C26 | C27 | 0.7° | 5.2° |
| H25 | C25 | C26 | H26 | 179.3° | 174.9° |
| C26 | C27 | C28 | H27 | 119.2° | 120.6° |
| C26 | C27 | C28 | H281 | 98.7° | 60.0° |
| C26 | C27 | C28 | H282 | 141.3° | 180.0° |
| C26 | C27 | C28 | H283 | 21.2° | 60.0° |
| H26 | C26 | C27 | C28 | 162.9° | 175.6° |
| H26 | C26 | C27 | H27 | 79.3° | 55.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.1° | 120.1° |
| H27 | C27 | C28 | H281 | 20.5° | 179.4° |
| H27 | C27 | C28 | H282 | 99.5° | 59.4° |
| H27 | C27 | C28 | H283 | 140.5° | 60.6° |
| H281 | C28 | H282 | H283 | 119.9° | 120.0° |
