XJX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.49Å | |
| C6 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | O8 | doub | 1.22Å | 1.21Å | |
| C7 | N9 | sing | 1.35Å | 1.34Å | |
| N9 | C10 | sing | 1.47Å | 1.47Å | |
| N9 | C27 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | N16 | sing | 1.47Å | 1.51Å | |
| N16 | C18 | sing | 1.47Å | 1.50Å | |
| N16 | C24 | sing | 1.47Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | N20 | sing | 1.47Å | 1.49Å | |
| N20 | C22 | sing | 1.47Å | 1.49Å | |
| N20 | C23 | sing | 1.47Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.50Å | |
| C28 | O29 | sing | 1.36Å | 1.37Å | |
| C28 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | O32 | sing | 1.36Å | 1.37Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | 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 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | 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 | |
| O29 | H29 | sing | 0.97Å | 0.95Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C1 | C2 | C4 | 110.8° | 109.5° |
| C2 | C1 | H11C | 109.5° | 109.4° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.4° |
| C1 | C2 | H2 | 107.2° | 109.5° |
| C3 | C2 | C4 | 113.5° | 109.5° |
| C3 | C2 | H2 | 107.3° | 109.5° |
| C2 | C3 | H31C | 109.5° | 109.4° |
| C2 | C3 | H32C | 109.5° | 109.4° |
| C2 | C3 | H33C | 109.5° | 109.5° |
| C2 | C4 | C5 | 121.2° | 119.9° |
| C2 | C4 | C31 | 120.7° | 119.9° |
| C4 | C2 | H2 | 107.3° | 109.4° |
| C5 | C4 | C31 | 117.7° | 120.3° |
| C4 | C5 | C6 | 121.4° | 120.0° |
| C4 | C5 | H5 | 119.3° | 120.0° |
| C4 | C31 | C30 | 121.0° | 120.2° |
| C4 | C31 | O32 | 121.1° | 119.9° |
| C5 | C6 | C7 | 119.7° | 120.1° |
| C5 | C6 | C28 | 119.9° | 119.7° |
| C6 | C5 | H5 | 119.3° | 120.0° |
| C7 | C6 | C28 | 120.4° | 120.1° |
| C6 | C7 | O8 | 119.8° | 120.0° |
| C6 | C7 | N9 | 118.1° | 120.0° |
| C6 | C28 | O29 | 119.5° | 120.1° |
| C6 | C28 | C30 | 119.9° | 119.8° |
| O8 | C7 | N9 | 122.0° | 120.0° |
| C7 | N9 | C10 | 123.2° | 126.6° |
| C7 | N9 | C27 | 123.7° | 126.6° |
| C10 | N9 | C27 | 112.6° | 106.9° |
| N9 | C10 | C11 | 102.4° | 107.7° |
| N9 | C10 | H10A | 111.2° | 109.9° |
| N9 | C10 | H10B | 111.2° | 109.8° |
| N9 | C27 | C26 | 102.2° | 107.7° |
| N9 | C27 | H27A | 111.2° | 109.8° |
| N9 | C27 | H27B | 111.3° | 109.8° |
| C10 | C11 | C12 | 129.1° | 131.3° |
| C10 | C11 | C26 | 110.9° | 108.8° |
| C11 | C10 | H10A | 111.2° | 109.8° |
| C11 | C10 | H10B | 111.2° | 109.8° |
| C12 | C11 | C26 | 119.9° | 119.9° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C11 | C26 | C25 | 120.2° | 119.9° |
| C11 | C26 | C27 | 111.0° | 108.9° |
| C12 | C13 | C14 | 120.5° | 119.9° |
| C13 | C12 | H12 | 120.0° | 119.9° |
| C12 | C13 | H13 | 119.7° | 120.1° |
| C13 | C14 | C15 | 120.9° | 120.0° |
| C13 | C14 | C25 | 118.5° | 120.0° |
| C14 | C13 | H13 | 119.7° | 120.0° |
| C15 | C14 | C25 | 120.6° | 120.0° |
| C14 | C15 | N16 | 112.5° | 109.5° |
| C14 | C15 | H151 | 108.7° | 109.5° |
| C14 | C15 | H152 | 108.7° | 109.5° |
| C14 | C25 | C26 | 120.8° | 120.1° |
| C14 | C25 | H25 | 119.6° | 120.0° |
| C15 | N16 | C18 | 111.3° | 111.0° |
| C15 | N16 | C24 | 111.3° | 111.0° |
| N16 | C15 | H151 | 108.7° | 109.5° |
| N16 | C15 | H152 | 108.7° | 109.5° |
| C18 | N16 | C24 | 110.5° | 110.9° |
| N16 | C18 | C19 | 111.4° | 109.3° |
| N16 | C18 | H181 | 109.0° | 109.5° |
| N16 | C18 | H182 | 109.0° | 109.5° |
| N16 | C24 | C23 | 111.0° | 109.4° |
| N16 | C24 | H241 | 109.1° | 109.5° |
| N16 | C24 | H242 | 109.1° | 109.5° |
| C18 | C19 | N20 | 109.7° | 109.4° |
| C19 | C18 | H181 | 109.0° | 109.5° |
| C19 | C18 | H182 | 109.0° | 109.5° |
| C18 | C19 | H191 | 109.4° | 109.5° |
| C18 | C19 | H192 | 109.4° | 109.5° |
| C19 | N20 | C22 | 111.6° | 111.0° |
| C19 | N20 | C23 | 109.9° | 110.9° |
| N20 | C19 | H191 | 109.4° | 109.4° |
| N20 | C19 | H192 | 109.4° | 109.5° |
| C22 | N20 | C23 | 111.6° | 111.1° |
| N20 | C22 | H221 | 109.5° | 109.5° |
| N20 | C22 | H222 | 109.5° | 109.5° |
| N20 | C22 | H223 | 109.5° | 109.5° |
| N20 | C23 | C24 | 109.8° | 109.4° |
| N20 | C23 | H231 | 109.4° | 109.4° |
| N20 | C23 | H232 | 109.4° | 109.5° |
| C23 | C24 | H241 | 109.1° | 109.5° |
| C23 | C24 | H242 | 109.1° | 109.5° |
| C24 | C23 | H231 | 109.4° | 109.5° |
| C24 | C23 | H232 | 109.4° | 109.5° |
| C25 | C26 | C27 | 128.7° | 131.2° |
| C26 | C25 | H25 | 119.6° | 119.9° |
| C26 | C27 | H27A | 111.3° | 110.0° |
| C26 | C27 | H27B | 111.3° | 109.7° |
| O29 | C28 | C30 | 120.6° | 120.1° |
| C28 | O29 | H29 | 109.5° | 114.0° |
| C28 | C30 | C31 | 120.1° | 120.0° |
| C28 | C30 | H30 | 119.9° | 120.0° |
| C30 | C31 | O32 | 117.9° | 119.8° |
| C31 | C30 | H30 | 119.9° | 120.0° |
| C31 | O32 | H32 | 109.5° | 114.0° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 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° |
| H10A | C10 | H10B | 109.5° | 109.8° |
| H27A | C27 | H27B | 109.5° | 109.9° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.4° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 125.1° | 120.0° |
| C1 | C2 | C3 | H2 | 116.5° | 120.0° |
| C1 | C2 | C4 | H2 | 116.8° | 120.0° |
| C1 | C2 | C4 | C5 | 89.1° | 60.0° |
| C1 | C2 | C4 | C31 | 84.2° | 119.7° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 119.9° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | C3 | H31C | 180.0° | 60.1° |
| C1 | C2 | C3 | H32C | 60.0° | 180.0° |
| C1 | C2 | C3 | H33C | 60.0° | 60.0° |
| C3 | C2 | C4 | H2 | 118.4° | 120.0° |
| C3 | C2 | C4 | C5 | 35.8° | 60.0° |
| C3 | C2 | C4 | C31 | 151.0° | 120.3° |
| C3 | C2 | C1 | H11C | 180.0° | 60.0° |
| C3 | C2 | C1 | H12C | 60.0° | 180.0° |
| C3 | C2 | C1 | H13C | 60.0° | 60.0° |
| C2 | C3 | H31C | H32C | 120.0° | 119.9° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C2 | C4 | C5 | C31 | 173.4° | 179.7° |
| C2 | C4 | C5 | C6 | 175.9° | 180.0° |
| C2 | C4 | C31 | C30 | 176.2° | 179.8° |
| C2 | C4 | C31 | O32 | 6.5° | 0.0° |
| C4 | C2 | C1 | H11C | 53.4° | 180.0° |
| C4 | C2 | C1 | H12C | 66.6° | 60.0° |
| C4 | C2 | C1 | H13C | 173.4° | 60.0° |
| C4 | C2 | C3 | H31C | 54.9° | 60.0° |
| C4 | C2 | C3 | H32C | 174.9° | 60.0° |
| C4 | C2 | C3 | H33C | 65.1° | 180.0° |
| C2 | C4 | C5 | H5 | 4.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 178.8° | 180.0° |
| C4 | C5 | C6 | C28 | 0.8° | 0.0° |
| C5 | C4 | C31 | C30 | 2.7° | 0.5° |
| C5 | C4 | C31 | O32 | 180.0° | 179.7° |
| C5 | C4 | C2 | H2 | 154.2° | 180.0° |
| C31 | C4 | C5 | C6 | 2.5° | 0.2° |
| C4 | C31 | C30 | C28 | 1.3° | 0.5° |
| C4 | C31 | C30 | O32 | 177.4° | 179.8° |
| C31 | C4 | C2 | H2 | 32.6° | 0.3° |
| C31 | C4 | C5 | H5 | 177.5° | 179.8° |
| C4 | C31 | C30 | H30 | 178.7° | 179.7° |
| C4 | C31 | O32 | H32 | 180.0° | 90.0° |
| C5 | C6 | C7 | C28 | 179.6° | 180.0° |
| C5 | C6 | C7 | O8 | 110.7° | 136.1° |
| C5 | C6 | C7 | N9 | 65.5° | 43.9° |
| C5 | C6 | C28 | O29 | 179.8° | 180.0° |
| C5 | C6 | C28 | C30 | 0.7° | 0.1° |
| C6 | C7 | O8 | N9 | 176.1° | 180.0° |
| C6 | C7 | N9 | C10 | 179.1° | 5.3° |
| C6 | C7 | N9 | C27 | 7.8° | 175.0° |
| C7 | C6 | C28 | O29 | 0.6° | 0.0° |
| C7 | C6 | C28 | C30 | 179.7° | 180.0° |
| C7 | C6 | C5 | H5 | 1.2° | 0.0° |
| C28 | C6 | C7 | O8 | 69.7° | 43.9° |
| C28 | C6 | C7 | N9 | 114.1° | 136.1° |
| C6 | C28 | O29 | C30 | 179.1° | 179.9° |
| C6 | C28 | C30 | C31 | 0.5° | 0.2° |
| C28 | C6 | C5 | H5 | 179.2° | 180.0° |
| C6 | C28 | O29 | H29 | 180.0° | 89.9° |
| C6 | C28 | C30 | H30 | 179.5° | 179.9° |
| O8 | C7 | N9 | C10 | 4.8° | 174.7° |
| O8 | C7 | N9 | C27 | 176.0° | 4.9° |
| C7 | N9 | C10 | C27 | 172.1° | 179.7° |
| C7 | N9 | C10 | C11 | 163.0° | 180.0° |
| C7 | N9 | C27 | C26 | 162.3° | 179.8° |
| C7 | N9 | C10 | H10A | 78.2° | 60.4° |
| C7 | N9 | C10 | H10B | 44.1° | 60.5° |
| C7 | N9 | C27 | H27A | 43.5° | 60.4° |
| C7 | N9 | C27 | H27B | 78.9° | 60.5° |
| N9 | C10 | C11 | H10A | 118.9° | 119.6° |
| N9 | C10 | C11 | H10B | 118.8° | 119.5° |
| N9 | C10 | C11 | C12 | 175.5° | 179.9° |
| N9 | C10 | C11 | C26 | 4.6° | 0.0° |
| C10 | N9 | C27 | C26 | 9.7° | 0.4° |
| N9 | C10 | H10A | H10B | 123.3° | 120.9° |
| C10 | N9 | C27 | H27A | 128.6° | 119.3° |
| C10 | N9 | C27 | H27B | 109.1° | 119.8° |
| C27 | N9 | C10 | C11 | 9.1° | 0.3° |
| N9 | C27 | C26 | C11 | 6.5° | 0.4° |
| N9 | C27 | C26 | C25 | 175.5° | 179.9° |
| N9 | C27 | C26 | H27A | 118.8° | 119.6° |
| N9 | C27 | C26 | H27B | 118.8° | 119.4° |
| C27 | N9 | C10 | H10A | 109.7° | 119.8° |
| C27 | N9 | C10 | H10B | 128.0° | 119.2° |
| N9 | C27 | H27A | H27B | 123.4° | 120.9° |
| C10 | C11 | C12 | C26 | 179.9° | 179.9° |
| C10 | C11 | C12 | C13 | 179.6° | 180.0° |
| C10 | C11 | C26 | C25 | 179.4° | 180.0° |
| C10 | C11 | C26 | C27 | 1.2° | 0.3° |
| C11 | C10 | H10A | H10B | 123.3° | 120.8° |
| C10 | C11 | C12 | H12 | 0.3° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | C11 | C26 | C25 | 0.5° | 0.0° |
| C12 | C11 | C26 | C27 | 178.7° | 179.7° |
| C12 | C11 | C10 | H10A | 65.7° | 60.4° |
| C12 | C11 | C10 | H10B | 56.6° | 60.4° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C26 | C11 | C12 | C13 | 0.3° | 0.1° |
| C11 | C26 | C25 | C14 | 0.4° | 0.0° |
| C11 | C26 | C25 | C27 | 177.8° | 179.6° |
| C26 | C11 | C10 | H10A | 114.2° | 119.6° |
| C26 | C11 | C10 | H10B | 123.5° | 119.5° |
| C11 | C26 | C27 | H27A | 125.3° | 119.2° |
| C11 | C26 | C27 | H27B | 112.3° | 119.9° |
| C26 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C26 | C25 | H25 | 179.5° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.1° | 180.0° |
| C12 | C13 | C14 | C25 | 0.2° | 0.0° |
| C13 | C14 | C15 | C25 | 179.3° | 180.0° |
| C13 | C14 | C15 | N16 | 87.5° | 90.0° |
| C13 | C14 | C25 | C26 | 0.0° | 0.0° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C14 | C15 | H151 | 32.9° | 150.0° |
| C13 | C14 | C15 | H152 | 152.0° | 30.0° |
| C13 | C14 | C25 | H25 | 179.9° | 180.0° |
| C14 | C15 | N16 | H151 | 120.4° | 120.0° |
| C14 | C15 | N16 | H152 | 120.4° | 120.0° |
| C14 | C15 | N16 | C18 | 46.6° | 170.0° |
| C14 | C15 | N16 | C24 | 77.2° | 66.2° |
| C15 | C14 | C25 | C26 | 179.3° | 180.0° |
| C15 | C14 | C13 | H13 | 0.9° | 0.0° |
| C14 | C15 | H151 | H152 | 118.6° | 120.0° |
| C15 | C14 | C25 | H25 | 0.6° | 0.0° |
| C25 | C14 | C15 | N16 | 91.8° | 90.0° |
| C14 | C25 | C26 | H25 | 180.0° | 180.0° |
| C14 | C25 | C26 | C27 | 178.2° | 179.6° |
| C25 | C14 | C13 | H13 | 179.8° | 180.0° |
| C25 | C14 | C15 | H151 | 147.8° | 30.0° |
| C25 | C14 | C15 | H152 | 28.7° | 150.0° |
| C15 | N16 | C18 | C24 | 124.2° | 123.9° |
| C15 | N16 | C18 | C19 | 179.3° | 176.8° |
| C15 | N16 | C24 | C23 | 179.4° | 176.8° |
| N16 | C15 | H151 | H152 | 118.6° | 120.0° |
| C15 | N16 | C18 | H181 | 60.4° | 56.9° |
| C15 | N16 | C18 | H182 | 59.0° | 63.2° |
| C15 | N16 | C24 | H241 | 59.2° | 63.3° |
| C15 | N16 | C24 | H242 | 60.4° | 56.8° |
| N16 | C18 | C19 | H181 | 120.3° | 119.9° |
| N16 | C18 | C19 | H182 | 120.3° | 120.0° |
| N16 | C18 | C19 | N20 | 57.4° | 58.4° |
| C18 | N16 | C24 | C23 | 55.3° | 59.3° |
| C18 | N16 | C15 | H151 | 167.0° | 50.0° |
| C18 | N16 | C15 | H152 | 73.9° | 70.0° |
| N16 | C18 | H181 | H182 | 119.1° | 120.0° |
| C18 | N16 | C24 | H241 | 64.9° | 60.6° |
| C18 | N16 | C24 | H242 | 175.5° | 179.3° |
| N16 | C18 | C19 | H191 | 62.7° | 61.5° |
| N16 | C18 | C19 | H192 | 177.4° | 178.4° |
| C24 | N16 | C18 | C19 | 55.1° | 59.4° |
| N16 | C24 | C23 | N20 | 58.0° | 58.4° |
| N16 | C24 | C23 | H241 | 120.2° | 120.0° |
| N16 | C24 | C23 | H242 | 120.2° | 120.0° |
| C24 | N16 | C15 | H151 | 43.3° | 173.8° |
| C24 | N16 | C15 | H152 | 162.4° | 53.8° |
| C24 | N16 | C18 | H181 | 175.4° | 179.3° |
| C24 | N16 | C18 | H182 | 65.2° | 60.6° |
| N16 | C24 | H241 | H242 | 119.3° | 120.1° |
| N16 | C24 | C23 | H231 | 62.1° | 61.5° |
| N16 | C24 | C23 | H232 | 178.0° | 178.3° |
| C18 | C19 | N20 | H191 | 120.0° | 120.0° |
| C18 | C19 | N20 | H192 | 120.0° | 120.0° |
| C18 | C19 | N20 | C22 | 176.0° | 176.8° |
| C18 | C19 | N20 | C23 | 59.7° | 59.3° |
| C19 | C18 | H181 | H182 | 119.1° | 120.1° |
| C18 | C19 | H191 | H192 | 119.9° | 120.1° |
| C19 | N20 | C22 | C23 | 123.5° | 123.9° |
| C19 | N20 | C23 | C24 | 60.1° | 59.3° |
| N20 | C19 | C18 | H181 | 177.6° | 178.3° |
| N20 | C19 | C18 | H182 | 62.9° | 61.6° |
| N20 | C19 | H191 | H192 | 119.9° | 120.1° |
| C19 | N20 | C22 | H221 | 180.0° | 60.0° |
| C19 | N20 | C22 | H222 | 60.0° | 180.0° |
| C19 | N20 | C22 | H223 | 60.0° | 60.0° |
| C19 | N20 | C23 | H231 | 60.0° | 60.7° |
| C19 | N20 | C23 | H232 | 179.8° | 179.3° |
| C22 | N20 | C23 | C24 | 175.5° | 176.8° |
| C22 | N20 | C19 | H191 | 64.0° | 63.3° |
| C22 | N20 | C19 | H192 | 55.9° | 56.8° |
| N20 | C22 | H221 | H222 | 120.0° | 120.0° |
| N20 | C22 | H221 | H223 | 120.0° | 120.0° |
| N20 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | N20 | C23 | H231 | 64.4° | 63.2° |
| C22 | N20 | C23 | H232 | 55.5° | 56.8° |
| N20 | C23 | C24 | H231 | 120.0° | 119.9° |
| N20 | C23 | C24 | H232 | 120.0° | 120.0° |
| N20 | C23 | C24 | H241 | 62.3° | 61.6° |
| N20 | C23 | C24 | H242 | 178.2° | 178.4° |
| C23 | N20 | C19 | H191 | 60.4° | 60.7° |
| C23 | N20 | C19 | H192 | 179.7° | 179.3° |
| C23 | N20 | C22 | H221 | 56.5° | 176.2° |
| C23 | N20 | C22 | H222 | 63.5° | 56.1° |
| C23 | N20 | C22 | H223 | 176.6° | 63.8° |
| N20 | C23 | H231 | H232 | 119.8° | 120.0° |
| C23 | C24 | H241 | H242 | 119.3° | 120.0° |
| C24 | C23 | H231 | H232 | 119.8° | 120.1° |
| C25 | C26 | C27 | H27A | 56.7° | 60.5° |
| C25 | C26 | C27 | H27B | 65.7° | 60.5° |
| C26 | C27 | H27A | H27B | 123.4° | 120.8° |
| C27 | C26 | C25 | H25 | 1.7° | 0.4° |
| O29 | C28 | C30 | C31 | 179.5° | 179.7° |
| O29 | C28 | C30 | H30 | 0.5° | 0.1° |
| C28 | C30 | C31 | H30 | 180.0° | 179.9° |
| C28 | C30 | C31 | O32 | 178.7° | 179.7° |
| C30 | C28 | O29 | H29 | 1.0° | 90.0° |
| C30 | C31 | O32 | H32 | 2.6° | 89.8° |
| O32 | C31 | C30 | H30 | 1.3° | 0.1° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H11C | C1 | C2 | H2 | 63.4° | 60.1° |
| H12C | C1 | C2 | H2 | 176.6° | 60.0° |
| H13C | C1 | C2 | H2 | 56.6° | 180.0° |
| H2 | C2 | C3 | H31C | 63.5° | 179.9° |
| H2 | C2 | C3 | H32C | 56.6° | 60.0° |
| H2 | C2 | C3 | H33C | 176.5° | 60.0° |
| H31C | C3 | H32C | H33C | 120.0° | 120.1° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| H181 | C18 | C19 | H191 | 57.6° | 58.4° |
| H181 | C18 | C19 | H192 | 62.3° | 61.7° |
| H182 | C18 | C19 | H191 | 177.0° | 178.5° |
| H182 | C18 | C19 | H192 | 57.1° | 58.4° |
| H241 | C24 | C23 | H231 | 177.7° | 178.5° |
| H241 | C24 | C23 | H232 | 57.8° | 58.4° |
| H242 | C24 | C23 | H231 | 58.1° | 58.4° |
| H242 | C24 | C23 | H232 | 61.8° | 61.7° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
