ANJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.19Å | |
| O2 | C7 | sing | 1.36Å | 1.37Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | C8 | doub | 1.22Å | 1.24Å | |
| O4 | C10 | sing | 1.46Å | 1.53Å | |
| O4 | C12 | sing | 1.35Å | 1.43Å | |
| O5 | C12 | doub | 1.21Å | 1.23Å | |
| O6 | C15 | sing | 1.44Å | 1.48Å | |
| O6 | C17 | sing | 1.31Å | 1.34Å | |
| O7 | C17 | doub | 1.21Å | 1.15Å | |
| O8 | C14 | sing | 1.45Å | 1.48Å | |
| O8 | C24 | sing | 1.34Å | 1.37Å | |
| O9 | C24 | doub | 1.21Å | 1.18Å | |
| N1 | C1 | sing | 1.35Å | 1.37Å | |
| N1 | C2 | sing | 1.40Å | 1.45Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | C8 | sing | 1.35Å | 1.36Å | |
| N2 | C9 | sing | 1.47Å | 1.45Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.40Å | 1.47Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C8 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| C9 | C17 | sing | 1.49Å | 1.50Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.48Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.52Å | 1.57Å | |
| C13 | C14 | sing | 1.55Å | 1.64Å | |
| C13 | C18 | sing | 1.53Å | 1.57Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.54Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.58Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.62Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | 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 | |
| C24 | C25 | sing | 1.51Å | 1.56Å | |
| C25 | C26 | sing | 1.53Å | 1.62Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 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) |
| O1 | C1 | N1 | 128.6° | 120.0° |
| O1 | C1 | H1 | 115.7° | 120.0° |
| C7 | O2 | HO2 | 109.5° | 106.8° |
| O2 | C7 | C2 | 116.8° | 120.2° |
| O2 | C7 | C6 | 122.0° | 120.2° |
| O3 | C8 | N2 | 117.2° | 120.0° |
| O3 | C8 | C6 | 119.9° | 120.0° |
| C10 | O4 | C12 | 119.3° | 117.7° |
| O4 | C10 | C9 | 106.3° | 107.6° |
| O4 | C10 | C11 | 104.6° | 109.9° |
| O4 | C10 | H10 | 116.2° | 109.8° |
| O4 | C12 | O5 | 125.9° | 121.3° |
| O4 | C12 | C13 | 110.8° | 117.2° |
| O5 | C12 | C13 | 123.2° | 121.5° |
| C15 | O6 | C17 | 124.2° | 127.6° |
| O6 | C15 | C14 | 96.4° | 109.9° |
| O6 | C15 | C16 | 109.9° | 109.3° |
| O6 | C15 | H15 | 118.5° | 109.4° |
| O6 | C17 | O7 | 129.2° | 116.1° |
| O6 | C17 | C9 | 103.5° | 127.8° |
| O7 | C17 | C9 | 126.9° | 116.1° |
| C14 | O8 | C24 | 120.2° | 120.0° |
| O8 | C14 | C13 | 105.7° | 110.0° |
| O8 | C14 | C15 | 107.2° | 110.1° |
| O8 | C14 | H14 | 112.9° | 110.0° |
| O8 | C24 | O9 | 124.4° | 120.0° |
| O8 | C24 | C25 | 111.9° | 120.0° |
| O9 | C24 | C25 | 123.7° | 120.0° |
| C1 | N1 | C2 | 129.0° | 120.0° |
| C1 | N1 | HN1 | 115.5° | 120.0° |
| N1 | C1 | H1 | 115.7° | 120.0° |
| C2 | N1 | HN1 | 115.5° | 120.0° |
| N1 | C2 | C3 | 122.4° | 120.0° |
| N1 | C2 | C7 | 116.0° | 120.0° |
| C8 | N2 | C9 | 121.3° | 120.0° |
| C8 | N2 | HN2 | 119.3° | 120.0° |
| N2 | C8 | C6 | 122.8° | 120.0° |
| C9 | N2 | HN2 | 119.4° | 120.0° |
| N2 | C9 | C10 | 111.7° | 109.1° |
| N2 | C9 | C17 | 109.5° | 109.2° |
| N2 | C9 | H9 | 108.6° | 109.2° |
| C3 | C2 | C7 | 121.5° | 119.9° |
| C2 | C3 | C4 | 118.5° | 120.3° |
| C2 | C3 | H3 | 120.8° | 119.8° |
| C2 | C7 | C6 | 121.2° | 119.6° |
| C4 | C3 | H3 | 120.7° | 119.8° |
| C3 | C4 | C5 | 120.1° | 120.3° |
| C3 | C4 | H4 | 120.0° | 119.8° |
| C5 | C4 | H4 | 120.0° | 119.8° |
| C4 | C5 | C6 | 123.4° | 120.0° |
| C4 | C5 | H5 | 118.3° | 120.0° |
| C6 | C5 | H5 | 118.3° | 120.0° |
| C5 | C6 | C7 | 115.3° | 119.7° |
| C5 | C6 | C8 | 122.7° | 120.2° |
| C7 | C6 | C8 | 122.1° | 120.1° |
| C10 | C9 | C17 | 111.4° | 111.0° |
| C10 | C9 | H9 | 106.6° | 109.1° |
| C9 | C10 | C11 | 114.1° | 109.9° |
| C9 | C10 | H10 | 107.1° | 109.8° |
| C17 | C9 | H9 | 108.9° | 109.2° |
| C11 | C10 | H10 | 108.8° | 109.9° |
| C10 | C11 | H111 | 109.4° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| C12 | C13 | C14 | 110.9° | 104.8° |
| C12 | C13 | C18 | 108.0° | 110.4° |
| C12 | C13 | H13 | 110.0° | 110.4° |
| C14 | C13 | C18 | 110.9° | 110.4° |
| C14 | C13 | H13 | 107.0° | 110.4° |
| C13 | C14 | C15 | 108.1° | 106.7° |
| C13 | C14 | H14 | 112.0° | 110.0° |
| C18 | C13 | H13 | 110.0° | 110.3° |
| C13 | C18 | C19 | 112.4° | 109.5° |
| C13 | C18 | H181 | 107.8° | 109.5° |
| C13 | C18 | H182 | 108.5° | 109.5° |
| C15 | C14 | H14 | 110.7° | 110.0° |
| C14 | C15 | C16 | 112.8° | 109.4° |
| C14 | C15 | H15 | 115.8° | 109.4° |
| C16 | C15 | H15 | 103.7° | 109.4° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.4° | 109.4° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| C19 | C18 | H181 | 107.8° | 109.5° |
| C19 | C18 | H182 | 108.5° | 109.4° |
| C18 | C19 | C20 | 111.7° | 109.4° |
| C18 | C19 | H191 | 108.2° | 109.5° |
| C18 | C19 | H192 | 108.7° | 109.4° |
| H181 | C18 | H182 | 111.8° | 109.5° |
| C20 | C19 | H191 | 108.2° | 109.5° |
| C20 | C19 | H192 | 108.7° | 109.5° |
| C19 | C20 | C21 | 110.2° | 109.4° |
| C19 | C20 | H201 | 109.1° | 109.5° |
| C19 | C20 | H202 | 109.2° | 109.5° |
| H191 | C19 | H192 | 111.3° | 109.5° |
| C21 | C20 | H201 | 109.0° | 109.5° |
| C21 | C20 | H202 | 109.2° | 109.4° |
| C20 | C21 | C22 | 112.3° | 109.4° |
| C20 | C21 | H211 | 107.9° | 109.5° |
| C20 | C21 | H212 | 108.5° | 109.5° |
| H201 | C20 | H202 | 110.1° | 109.5° |
| C22 | C21 | H211 | 107.9° | 109.5° |
| C22 | C21 | H212 | 108.5° | 109.4° |
| C21 | C22 | C23 | 111.6° | 109.5° |
| C21 | C22 | H221 | 108.3° | 109.5° |
| C21 | C22 | H222 | 108.8° | 109.5° |
| H211 | C21 | H212 | 111.7° | 109.5° |
| C23 | C22 | H221 | 108.3° | 109.4° |
| C23 | C22 | H222 | 108.8° | 109.5° |
| C22 | C23 | H231 | 109.5° | 109.4° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.4° |
| H221 | C22 | H222 | 111.2° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| C24 | C25 | C26 | 105.4° | 109.5° |
| C24 | C25 | C27 | 113.0° | 109.5° |
| C24 | C25 | H25 | 111.4° | 109.5° |
| C26 | C25 | C27 | 113.5° | 109.4° |
| C26 | C25 | H25 | 110.8° | 109.4° |
| C25 | C26 | H261 | 109.4° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| C27 | C25 | H25 | 102.9° | 109.5° |
| C25 | C27 | C28 | 109.1° | 109.5° |
| C25 | C27 | H271 | 109.6° | 109.5° |
| C25 | C27 | H272 | 109.6° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.4° | 109.5° |
| C28 | C27 | H271 | 109.7° | 109.5° |
| C28 | C27 | H272 | 109.6° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.2° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | H1 | 180.0° | 180.0° |
| O1 | C1 | N1 | C2 | 0.4° | 5.7° |
| O1 | C1 | N1 | HN1 | 179.6° | 174.3° |
| O2 | C7 | C2 | N1 | 0.9° | 0.3° |
| O2 | C7 | C2 | C3 | 179.9° | 180.0° |
| O2 | C7 | C2 | C6 | 179.8° | 179.4° |
| O2 | C7 | C6 | C5 | 179.9° | 180.0° |
| O2 | C7 | C6 | C8 | 1.2° | 0.3° |
| HO2 | O2 | C7 | C2 | 49.2° | 90.0° |
| HO2 | O2 | C7 | C6 | 130.6° | 90.6° |
| O3 | C8 | N2 | C6 | 178.7° | 179.9° |
| O3 | C8 | N2 | C9 | 2.2° | 0.0° |
| O3 | C8 | N2 | HN2 | 177.8° | 179.9° |
| O3 | C8 | C6 | C5 | 0.1° | 180.0° |
| O3 | C8 | C6 | C7 | 178.6° | 0.4° |
| C10 | O4 | C12 | O5 | 17.5° | 26.5° |
| O4 | C10 | C9 | N2 | 157.0° | 60.0° |
| O4 | C10 | C9 | C11 | 114.7° | 119.6° |
| O4 | C10 | C9 | H10 | 124.9° | 119.5° |
| O4 | C10 | C9 | C17 | 34.2° | 60.5° |
| O4 | C10 | C9 | H9 | 84.5° | 179.2° |
| O4 | C10 | C11 | H10 | 124.8° | 120.9° |
| O4 | C10 | C11 | H111 | 21.0° | 58.2° |
| O4 | C10 | C11 | H112 | 141.0° | 61.8° |
| O4 | C10 | C11 | H113 | 99.0° | 178.2° |
| C10 | O4 | C12 | C13 | 161.4° | 153.4° |
| O4 | C12 | O5 | C13 | 178.7° | 179.9° |
| C12 | O4 | C10 | C9 | 76.7° | 56.1° |
| C12 | O4 | C10 | C11 | 162.3° | 63.4° |
| C12 | O4 | C10 | H10 | 42.4° | 175.6° |
| O4 | C12 | C13 | C14 | 82.8° | 52.5° |
| O4 | C12 | C13 | C18 | 155.5° | 66.4° |
| O4 | C12 | C13 | H13 | 35.4° | 171.4° |
| O5 | C12 | C13 | C14 | 96.1° | 127.4° |
| O5 | C12 | C13 | C18 | 25.7° | 113.7° |
| O5 | C12 | C13 | H13 | 145.7° | 8.5° |
| C15 | O6 | C17 | O7 | 9.8° | 179.0° |
| O6 | C15 | C14 | O8 | 178.2° | 118.6° |
| C15 | O6 | C17 | C9 | 163.4° | 1.0° |
| O6 | C15 | C14 | C13 | 64.7° | 122.1° |
| O6 | C15 | C14 | C16 | 114.8° | 120.0° |
| O6 | C15 | C14 | H15 | 126.0° | 120.2° |
| O6 | C15 | C14 | H14 | 58.3° | 2.8° |
| O6 | C15 | C16 | H15 | 127.6° | 119.8° |
| O6 | C15 | C16 | H161 | 138.6° | 179.7° |
| O6 | C15 | C16 | H162 | 18.6° | 59.6° |
| O6 | C15 | C16 | H163 | 101.4° | 60.4° |
| O6 | C17 | O7 | C9 | 171.8° | 180.0° |
| O6 | C17 | C9 | N2 | 177.2° | 31.0° |
| O6 | C17 | C9 | C10 | 58.7° | 89.3° |
| O6 | C17 | C9 | H9 | 58.6° | 150.3° |
| C17 | O6 | C15 | C14 | 170.4° | 99.8° |
| C17 | O6 | C15 | C16 | 53.3° | 140.2° |
| C17 | O6 | C15 | H15 | 65.5° | 20.4° |
| O7 | C17 | C9 | N2 | 9.3° | 149.0° |
| O7 | C17 | C9 | C10 | 114.8° | 90.6° |
| O7 | C17 | C9 | H9 | 127.9° | 29.8° |
| C14 | O8 | C24 | O9 | 0.0° | 0.1° |
| O8 | C14 | C13 | C12 | 176.2° | 172.5° |
| O8 | C14 | C13 | C15 | 114.5° | 119.4° |
| O8 | C14 | C13 | H14 | 123.3° | 121.3° |
| O8 | C14 | C13 | C18 | 63.8° | 68.6° |
| O8 | C14 | C13 | H13 | 56.2° | 53.6° |
| O8 | C14 | C15 | H14 | 123.5° | 121.3° |
| O8 | C14 | C15 | C16 | 67.0° | 1.5° |
| O8 | C14 | C15 | H15 | 52.3° | 121.3° |
| C14 | O8 | C24 | C25 | 179.6° | 180.0° |
| O8 | C24 | O9 | C25 | 179.6° | 179.9° |
| C24 | O8 | C14 | C13 | 132.5° | 150.0° |
| C24 | O8 | C14 | C15 | 112.4° | 92.6° |
| C24 | O8 | C14 | H14 | 9.7° | 28.7° |
| O8 | C24 | C25 | C26 | 123.4° | 60.0° |
| O8 | C24 | C25 | C27 | 1.1° | 180.0° |
| O8 | C24 | C25 | H25 | 116.3° | 60.0° |
| O9 | C24 | C25 | C26 | 57.0° | 119.9° |
| O9 | C24 | C25 | C27 | 178.5° | 0.0° |
| O9 | C24 | C25 | H25 | 63.3° | 120.1° |
| C1 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 0.3° | 33.6° |
| C1 | N1 | C2 | C7 | 178.9° | 146.2° |
| C2 | N1 | C1 | H1 | 179.6° | 174.2° |
| N1 | C2 | C3 | C7 | 179.1° | 179.7° |
| N1 | C2 | C3 | C4 | 179.3° | 180.0° |
| N1 | C2 | C3 | H3 | 0.7° | 0.0° |
| N1 | C2 | C7 | C6 | 178.8° | 179.7° |
| HN1 | N1 | C1 | H1 | 0.4° | 5.8° |
| HN1 | N1 | C2 | C3 | 179.8° | 146.4° |
| HN1 | N1 | C2 | C7 | 1.1° | 33.8° |
| C8 | N2 | C9 | HN2 | 180.0° | 180.0° |
| N2 | C8 | C6 | C5 | 178.8° | 0.0° |
| N2 | C8 | C6 | C7 | 0.0° | 179.7° |
| C8 | N2 | C9 | C10 | 112.2° | 121.8° |
| C8 | N2 | C9 | C17 | 123.9° | 116.6° |
| C8 | N2 | C9 | H9 | 5.1° | 2.7° |
| C9 | N2 | C8 | C6 | 176.5° | 180.0° |
| N2 | C9 | C10 | C17 | 122.8° | 120.4° |
| N2 | C9 | C10 | H9 | 118.5° | 119.2° |
| N2 | C9 | C17 | H9 | 118.6° | 119.3° |
| N2 | C9 | C10 | C11 | 42.3° | 59.6° |
| N2 | C9 | C10 | H10 | 78.1° | 179.4° |
| HN2 | N2 | C8 | C6 | 3.5° | 0.0° |
| HN2 | N2 | C9 | C10 | 67.8° | 58.2° |
| HN2 | N2 | C9 | C17 | 56.1° | 63.4° |
| HN2 | N2 | C9 | H9 | 174.9° | 177.4° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| C3 | C2 | C7 | C6 | 0.3° | 0.6° |
| C7 | C2 | C3 | C4 | 0.2° | 0.3° |
| C7 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C7 | C6 | C5 | 0.4° | 0.6° |
| C2 | C7 | C6 | C8 | 178.5° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C5 | H5 | 179.4° | 180.0° |
| H3 | C3 | C4 | C5 | 179.4° | 180.0° |
| H3 | C3 | C4 | H4 | 0.6° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.3° |
| C4 | C5 | C6 | C8 | 179.0° | 180.0° |
| H4 | C4 | C5 | C6 | 179.4° | 180.0° |
| H4 | C4 | C5 | H5 | 0.6° | 0.0° |
| C5 | C6 | C7 | C8 | 178.9° | 179.7° |
| H5 | C5 | C6 | C7 | 179.9° | 179.7° |
| H5 | C5 | C6 | C8 | 1.0° | 0.0° |
| C10 | C9 | C17 | H9 | 117.3° | 120.4° |
| C9 | C10 | C11 | H10 | 119.5° | 120.9° |
| C9 | C10 | C11 | H111 | 94.7° | 60.0° |
| C9 | C10 | C11 | H112 | 25.3° | 180.0° |
| C9 | C10 | C11 | H113 | 145.3° | 60.0° |
| C17 | C9 | C10 | C11 | 80.5° | 179.9° |
| C17 | C9 | C10 | H10 | 159.0° | 59.0° |
| H9 | C9 | C10 | C11 | 160.8° | 59.6° |
| H9 | C9 | C10 | H10 | 40.3° | 61.4° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.1° | 120.0° |
| H10 | C10 | C11 | H111 | 145.8° | 179.1° |
| H10 | C10 | C11 | H112 | 94.2° | 59.1° |
| H10 | C10 | C11 | H113 | 25.8° | 60.9° |
| H111 | C11 | H112 | H113 | 120.0° | 120.1° |
| C12 | C13 | C14 | C18 | 120.0° | 118.9° |
| C12 | C13 | C14 | H13 | 120.0° | 118.9° |
| C12 | C13 | C18 | H13 | 120.0° | 122.3° |
| C12 | C13 | C14 | C15 | 61.7° | 53.1° |
| C12 | C13 | C14 | H14 | 60.5° | 66.2° |
| C12 | C13 | C18 | C19 | 90.4° | 67.3° |
| C12 | C13 | C18 | H181 | 28.4° | 52.7° |
| C12 | C13 | C18 | H182 | 149.6° | 172.7° |
| C14 | C13 | C18 | H13 | 118.2° | 122.3° |
| C13 | C14 | C15 | H14 | 123.0° | 119.3° |
| C13 | C14 | C15 | C16 | 179.5° | 117.9° |
| C13 | C14 | C15 | H15 | 61.2° | 1.9° |
| C14 | C13 | C18 | C19 | 147.9° | 177.3° |
| C14 | C13 | C18 | H181 | 93.4° | 62.7° |
| C14 | C13 | C18 | H182 | 27.9° | 57.3° |
| C18 | C13 | C14 | C15 | 178.3° | 171.9° |
| C18 | C13 | C14 | H14 | 59.5° | 52.7° |
| C13 | C18 | C19 | H181 | 118.7° | 120.0° |
| C13 | C18 | C19 | H182 | 120.0° | 120.0° |
| C13 | C18 | H181 | H182 | 119.2° | 120.0° |
| C13 | C18 | C19 | C20 | 174.1° | 180.0° |
| C13 | C18 | C19 | H191 | 55.0° | 60.0° |
| C13 | C18 | C19 | H192 | 65.9° | 60.0° |
| H13 | C13 | C14 | C15 | 58.3° | 65.9° |
| H13 | C13 | C14 | H14 | 179.5° | 174.9° |
| H13 | C13 | C18 | C19 | 29.6° | 55.0° |
| H13 | C13 | C18 | H181 | 148.4° | 175.0° |
| H13 | C13 | C18 | H182 | 90.3° | 65.0° |
| C14 | C15 | C16 | H15 | 126.1° | 119.8° |
| C14 | C15 | C16 | H161 | 32.3° | 60.0° |
| C14 | C15 | C16 | H162 | 87.7° | 180.0° |
| C14 | C15 | C16 | H163 | 152.3° | 60.0° |
| H14 | C14 | C15 | C16 | 56.5° | 122.8° |
| H14 | C14 | C15 | H15 | 175.8° | 117.4° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| H15 | C15 | C16 | H161 | 93.8° | 59.9° |
| H15 | C15 | C16 | H162 | 146.2° | 60.2° |
| H15 | C15 | C16 | H163 | 26.2° | 179.8° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| C19 | C18 | H181 | H182 | 119.2° | 120.0° |
| C18 | C19 | C20 | H191 | 119.0° | 120.0° |
| C18 | C19 | C20 | H192 | 120.0° | 119.9° |
| C18 | C19 | H191 | H192 | 119.4° | 120.0° |
| C18 | C19 | C20 | C21 | 173.3° | 180.0° |
| C18 | C19 | C20 | H201 | 67.0° | 60.0° |
| C18 | C19 | C20 | H202 | 53.3° | 60.1° |
| H181 | C18 | C19 | C20 | 67.2° | 60.0° |
| H181 | C18 | C19 | H191 | 173.8° | 180.0° |
| H181 | C18 | C19 | H192 | 52.8° | 60.0° |
| H182 | C18 | C19 | C20 | 54.1° | 60.1° |
| H182 | C18 | C19 | H191 | 65.0° | 60.0° |
| H182 | C18 | C19 | H192 | 174.1° | NaN° |
| C20 | C19 | H191 | H192 | 119.4° | 120.0° |
| C19 | C20 | C21 | H201 | 119.7° | 120.0° |
| C19 | C20 | C21 | H202 | 120.0° | 119.9° |
| C19 | C20 | H201 | H202 | 119.8° | 120.0° |
| C19 | C20 | C21 | C22 | 175.1° | 180.0° |
| C19 | C20 | C21 | H211 | 56.3° | 60.0° |
| C19 | C20 | C21 | H212 | 64.9° | 60.1° |
| H191 | C19 | C20 | C21 | 54.3° | 60.0° |
| H191 | C19 | C20 | H201 | 174.0° | 180.0° |
| H191 | C19 | C20 | H202 | 65.7° | 60.0° |
| H192 | C19 | C20 | C21 | 66.7° | 60.1° |
| H192 | C19 | C20 | H201 | 53.0° | 60.0° |
| H192 | C19 | C20 | H202 | 173.4° | 180.0° |
| C21 | C20 | H201 | H202 | 119.8° | 120.0° |
| C20 | C21 | C22 | H211 | 118.8° | 120.0° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 119.2° | 120.1° |
| C20 | C21 | C22 | C23 | 178.5° | 180.0° |
| C20 | C21 | C22 | H221 | 62.4° | 60.0° |
| C20 | C21 | C22 | H222 | 58.5° | 60.0° |
| H201 | C20 | C21 | C22 | 65.2° | 60.0° |
| H201 | C20 | C21 | H211 | 176.0° | 180.0° |
| H201 | C20 | C21 | H212 | 54.8° | 59.9° |
| H202 | C20 | C21 | C22 | 55.1° | 60.0° |
| H202 | C20 | C21 | H211 | 63.7° | 60.0° |
| H202 | C20 | C21 | H212 | 175.1° | 180.0° |
| C22 | C21 | H211 | H212 | 119.2° | 120.0° |
| C21 | C22 | C23 | H221 | 119.1° | 120.0° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 119.4° | 120.0° |
| C21 | C22 | C23 | H231 | 166.4° | 180.0° |
| C21 | C22 | C23 | H232 | 73.6° | 60.0° |
| C21 | C22 | C23 | H233 | 46.4° | 60.0° |
| H211 | C21 | C22 | C23 | 59.8° | 60.0° |
| H211 | C21 | C22 | H221 | 178.9° | 180.0° |
| H211 | C21 | C22 | H222 | 60.2° | 60.0° |
| H212 | C21 | C22 | C23 | 61.4° | 60.0° |
| H212 | C21 | C22 | H221 | 57.6° | 60.0° |
| H212 | C21 | C22 | H222 | 178.6° | 180.0° |
| C23 | C22 | H221 | H222 | 119.4° | 120.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 119.9° |
| C22 | C23 | H232 | H233 | 120.0° | 120.0° |
| H221 | C22 | C23 | H231 | 47.3° | 60.0° |
| H221 | C22 | C23 | H232 | 167.3° | 60.0° |
| H221 | C22 | C23 | H233 | 72.7° | 180.0° |
| H222 | C22 | C23 | H231 | 73.6° | 60.0° |
| H222 | C22 | C23 | H232 | 46.4° | 180.0° |
| H222 | C22 | C23 | H233 | 166.4° | 60.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| C24 | C25 | C26 | C27 | 124.1° | 120.0° |
| C24 | C25 | C26 | H25 | 120.6° | 120.0° |
| C24 | C25 | C27 | H25 | 120.2° | 120.0° |
| C24 | C25 | C26 | H261 | 132.4° | 180.0° |
| C24 | C25 | C26 | H262 | 12.4° | 60.0° |
| C24 | C25 | C26 | H263 | 107.6° | 60.0° |
| C24 | C25 | C27 | C28 | 87.8° | 175.0° |
| C24 | C25 | C27 | H271 | 32.4° | 65.0° |
| C24 | C25 | C27 | H272 | 152.2° | 55.0° |
| C26 | C25 | C27 | H25 | 119.9° | 119.9° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C25 | C27 | C28 | 152.3° | 65.0° |
| C26 | C25 | C27 | H271 | 87.6° | 55.0° |
| C26 | C25 | C27 | H272 | 32.3° | 175.0° |
| C27 | C25 | C26 | H261 | 8.2° | 60.0° |
| C27 | C25 | C26 | H262 | 111.8° | 180.0° |
| C27 | C25 | C26 | H263 | 128.3° | 60.0° |
| C25 | C27 | C28 | H271 | 120.1° | 120.0° |
| C25 | C27 | C28 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H272 | 120.1° | 120.0° |
| C25 | C27 | C28 | H281 | 93.5° | 180.0° |
| C25 | C27 | C28 | H282 | 26.5° | 60.0° |
| C25 | C27 | C28 | H283 | 146.5° | 60.0° |
| H25 | C25 | C26 | H261 | 107.0° | 60.0° |
| H25 | C25 | C26 | H262 | 133.0° | 60.0° |
| H25 | C25 | C26 | H263 | 13.0° | 180.0° |
| H25 | C25 | C27 | C28 | 32.4° | 54.9° |
| H25 | C25 | C27 | H271 | 152.6° | 175.0° |
| H25 | C25 | C27 | H272 | 87.6° | 65.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| C28 | C27 | H271 | H272 | 120.1° | 120.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| H271 | C27 | C28 | H281 | 146.3° | 60.0° |
| H271 | C27 | C28 | H282 | 93.6° | 180.0° |
| H271 | C27 | C28 | H283 | 26.4° | 60.0° |
| H272 | C27 | C28 | H281 | 26.4° | 60.0° |
| H272 | C27 | C28 | H282 | 146.5° | 60.0° |
| H272 | C27 | C28 | H283 | 93.5° | 180.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
