A1A1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N8 | sing | 1.47Å | 1.48Å | |
| N8 | C21 | sing | 1.47Å | 1.48Å | |
| N8 | C20 | sing | 1.47Å | 1.49Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C22 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | N6 | sing | 1.46Å | 1.45Å | |
| N6 | N7 | sing | 1.40Å | 1.35Å | Aromatic |
| N6 | C16 | sing | 1.36Å | 1.37Å | Aromatic |
| N7 | C17 | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.36Å | Aromatic |
| C17 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | N5 | sing | 1.41Å | 1.41Å | |
| N5 | C1 | sing | 1.39Å | 1.36Å | |
| N1 | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.33Å | Aromatic |
| C14 | N3 | sing | 1.47Å | 1.46Å | |
| C4 | N3 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| N3 | C5 | sing | 1.36Å | 1.41Å | Aromatic |
| N2 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C6 | sing | 1.47Å | 1.41Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.43Å | 1.42Å | |
| C10 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C10 | C13 | doub | 1.33Å | 1.38Å | Aromatic |
| S1 | C11 | sing | 1.76Å | 1.73Å | Aromatic |
| C7 | N4 | trip | 1.14Å | 1.15Å | |
| C13 | C12 | sing | 1.38Å | 1.44Å | Aromatic |
| C11 | C12 | doub | 1.33Å | 1.37Å | Aromatic |
| C8 | HC8 | sing | 1.09Å | 1.10Å | |
| C13 | HC13 | sing | 1.08Å | 1.08Å | |
| C17 | HC17 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C2 | HC2 | sing | 1.08Å | 1.08Å | |
| C9 | H9_3 | sing | 1.09Å | 1.10Å | |
| C9 | H9_2 | sing | 1.09Å | 1.10Å | |
| C9 | H9_1 | sing | 1.09Å | 1.10Å | |
| C11 | HC11 | sing | 1.08Å | 1.08Å | |
| C12 | HC12 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C16 | HC16 | sing | 1.08Å | 1.08Å | |
| C18 | HC18 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N8 | C21 | 111.6° | 111.0° |
| C23 | N8 | C20 | 111.9° | 111.0° |
| N8 | C23 | H233 | 109.5° | 109.5° |
| N8 | C23 | H232 | 109.5° | 109.4° |
| N8 | C23 | H231 | 109.4° | 109.5° |
| C21 | N8 | C20 | 112.8° | 111.2° |
| N8 | C21 | C22 | 111.2° | 109.5° |
| N8 | C21 | H211 | 109.0° | 109.5° |
| N8 | C21 | H212 | 109.1° | 109.5° |
| N8 | C20 | C19 | 111.8° | 109.5° |
| N8 | C20 | H202 | 108.9° | 109.5° |
| N8 | C20 | H201 | 108.8° | 109.4° |
| C21 | C22 | C18 | 109.0° | 109.3° |
| C22 | C21 | H211 | 109.0° | 109.4° |
| C22 | C21 | H212 | 109.0° | 109.5° |
| C21 | C22 | H222 | 109.6° | 109.5° |
| C21 | C22 | H221 | 109.6° | 109.5° |
| C20 | C19 | C18 | 108.9° | 109.3° |
| C19 | C20 | H202 | 108.9° | 109.4° |
| C19 | C20 | H201 | 108.9° | 109.4° |
| C20 | C19 | H192 | 109.6° | 109.5° |
| C20 | C19 | H191 | 109.6° | 109.5° |
| C22 | C18 | C19 | 109.4° | 109.1° |
| C22 | C18 | N6 | 111.7° | 109.5° |
| C18 | C22 | H222 | 109.6° | 109.5° |
| C18 | C22 | H221 | 109.6° | 109.5° |
| C22 | C18 | HC18 | 106.6° | 109.5° |
| C19 | C18 | N6 | 114.4° | 109.5° |
| C19 | C18 | HC18 | 106.6° | 109.6° |
| C18 | C19 | H192 | 109.6° | 109.5° |
| C18 | C19 | H191 | 109.6° | 109.5° |
| C18 | N6 | N7 | 118.9° | 126.1° |
| C18 | N6 | C16 | 128.8° | 126.1° |
| N6 | C18 | HC18 | 107.6° | 109.5° |
| N7 | N6 | C16 | 112.3° | 107.8° |
| N6 | N7 | C17 | 104.4° | 108.4° |
| N6 | C16 | C15 | 107.3° | 107.6° |
| N6 | C16 | HC16 | 126.3° | 126.2° |
| N7 | C17 | C15 | 112.2° | 108.4° |
| N7 | C17 | HC17 | 123.9° | 125.8° |
| C16 | C15 | C17 | 103.8° | 107.8° |
| C16 | C15 | N5 | 126.5° | 126.1° |
| C15 | C16 | HC16 | 126.3° | 126.2° |
| C17 | C15 | N5 | 129.7° | 126.1° |
| C15 | C17 | HC17 | 123.9° | 125.8° |
| C15 | N5 | C1 | 129.6° | 120.0° |
| C15 | N5 | HN5 | 115.2° | 120.0° |
| N5 | C1 | N1 | 115.7° | 118.8° |
| N5 | C1 | N2 | 115.6° | 118.8° |
| C1 | N5 | HN5 | 115.2° | 120.0° |
| C1 | N1 | C4 | 111.5° | 120.4° |
| N1 | C1 | N2 | 128.8° | 122.4° |
| N1 | C4 | N3 | 125.9° | 134.0° |
| N1 | C4 | C3 | 126.8° | 118.5° |
| C1 | N2 | C2 | 118.8° | 121.0° |
| C14 | N3 | C4 | 125.3° | 124.8° |
| C14 | N3 | C5 | 126.3° | 124.7° |
| N3 | C14 | H141 | 109.5° | 109.5° |
| N3 | C14 | H143 | 109.4° | 109.4° |
| N3 | C14 | H142 | 109.5° | 109.4° |
| N3 | C4 | C3 | 107.3° | 107.4° |
| C4 | N3 | C5 | 108.3° | 110.5° |
| C4 | C3 | C2 | 115.6° | 119.0° |
| C4 | C3 | C6 | 108.2° | 106.0° |
| N3 | C5 | C8 | 122.6° | 125.1° |
| N3 | C5 | C6 | 108.0° | 109.7° |
| N2 | C2 | C3 | 118.6° | 118.6° |
| N2 | C2 | HC2 | 120.7° | 120.7° |
| C2 | C3 | C6 | 136.2° | 135.0° |
| C3 | C2 | HC2 | 120.7° | 120.7° |
| C3 | C6 | C5 | 108.1° | 106.4° |
| C3 | C6 | C7 | 121.8° | 126.8° |
| C8 | C5 | C6 | 129.4° | 125.2° |
| C5 | C8 | C9 | 109.0° | 109.5° |
| C5 | C8 | C10 | 112.0° | 109.5° |
| C5 | C8 | HC8 | 107.9° | 109.5° |
| C5 | C6 | C7 | 130.1° | 126.8° |
| C9 | C8 | C10 | 112.3° | 109.5° |
| C9 | C8 | HC8 | 107.6° | 109.4° |
| C8 | C9 | H9_3 | 109.5° | 109.4° |
| C8 | C9 | H9_2 | 109.4° | 109.5° |
| C8 | C9 | H9_1 | 109.5° | 109.5° |
| C8 | C10 | S1 | 121.5° | 125.2° |
| C8 | C10 | C13 | 127.9° | 125.2° |
| C10 | C8 | HC8 | 107.8° | 109.5° |
| C6 | C7 | N4 | 175.1° | 180.0° |
| S1 | C10 | C13 | 110.6° | 109.6° |
| C10 | S1 | C11 | 92.4° | 91.0° |
| C10 | C13 | C12 | 113.0° | 114.9° |
| C10 | C13 | HC13 | 123.5° | 122.5° |
| S1 | C11 | C12 | 111.3° | 109.6° |
| S1 | C11 | HC11 | 124.4° | 125.2° |
| C13 | C12 | C11 | 112.8° | 114.9° |
| C12 | C13 | HC13 | 123.5° | 122.5° |
| C13 | C12 | HC12 | 123.6° | 122.6° |
| C12 | C11 | HC11 | 124.3° | 125.2° |
| C11 | C12 | HC12 | 123.6° | 122.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H9_3 | C9 | H9_2 | 109.5° | 109.5° |
| H9_3 | C9 | H9_1 | 109.5° | 109.5° |
| H9_2 | C9 | H9_1 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.6° |
| H233 | C23 | H232 | 109.5° | 109.4° |
| H233 | C23 | H231 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N8 | C21 | C20 | 127.0° | 124.1° |
| C23 | N8 | C21 | C22 | 177.8° | 174.2° |
| C23 | N8 | C20 | C19 | 178.8° | 174.2° |
| C23 | N8 | C20 | H202 | 60.9° | 54.2° |
| C23 | N8 | C20 | H201 | 58.4° | 65.9° |
| C23 | N8 | C21 | H211 | 57.6° | 65.9° |
| C23 | N8 | C21 | H212 | 61.9° | 54.2° |
| N8 | C23 | H233 | H232 | 120.0° | 119.9° |
| N8 | C23 | H233 | H231 | 120.0° | 120.0° |
| N8 | C23 | H232 | H231 | 120.0° | 120.0° |
| N8 | C21 | C22 | H211 | 120.3° | 120.0° |
| N8 | C21 | C22 | H212 | 120.3° | 120.0° |
| C21 | N8 | C20 | C19 | 54.4° | 61.7° |
| N8 | C21 | C22 | C18 | 57.8° | 59.2° |
| C21 | N8 | C20 | H202 | 65.9° | 178.3° |
| C21 | N8 | C20 | H201 | 174.8° | 58.2° |
| N8 | C21 | H211 | H212 | 119.2° | 120.0° |
| N8 | C21 | C22 | H222 | 62.1° | 60.8° |
| N8 | C21 | C22 | H221 | 177.7° | 179.1° |
| C21 | N8 | C23 | H233 | 180.0° | 60.0° |
| C21 | N8 | C23 | H232 | 60.0° | 180.0° |
| C21 | N8 | C23 | H231 | 60.0° | 60.0° |
| C20 | N8 | C21 | C22 | 55.2° | 61.7° |
| N8 | C20 | C19 | H202 | 120.3° | 120.1° |
| N8 | C20 | C19 | H201 | 120.3° | 120.0° |
| N8 | C20 | C19 | C18 | 55.9° | 59.2° |
| N8 | C20 | H202 | H201 | 118.9° | 120.0° |
| C20 | N8 | C21 | H211 | 175.5° | 58.2° |
| C20 | N8 | C21 | H212 | 65.1° | 178.3° |
| N8 | C20 | C19 | H192 | 175.8° | 179.1° |
| N8 | C20 | C19 | H191 | 64.0° | 60.8° |
| C20 | N8 | C23 | H233 | 52.5° | 175.7° |
| C20 | N8 | C23 | H232 | 67.5° | 55.8° |
| C20 | N8 | C23 | H231 | 172.5° | 64.2° |
| C21 | C22 | C18 | H222 | 119.9° | 119.9° |
| C21 | C22 | C18 | H221 | 119.9° | 119.9° |
| C21 | C22 | C18 | C19 | 60.5° | 57.6° |
| C21 | C22 | C18 | N6 | 171.7° | 177.6° |
| C22 | C21 | H211 | H212 | 119.2° | 120.0° |
| C21 | C22 | H222 | H221 | 120.2° | 120.1° |
| C21 | C22 | C18 | HC18 | 54.5° | 62.3° |
| C20 | C19 | C18 | C22 | 59.3° | 57.6° |
| C20 | C19 | C18 | H192 | 119.9° | 119.9° |
| C20 | C19 | C18 | H191 | 119.9° | 120.0° |
| C20 | C19 | C18 | N6 | 174.5° | 177.6° |
| C19 | C20 | H202 | H201 | 119.0° | 119.9° |
| C20 | C19 | C18 | HC18 | 55.6° | 62.3° |
| C20 | C19 | H192 | H191 | 120.3° | 120.2° |
| C22 | C18 | C19 | N6 | 126.2° | 119.9° |
| C22 | C18 | C19 | HC18 | 115.0° | 119.9° |
| C22 | C18 | N6 | HC18 | 116.7° | 120.1° |
| C22 | C18 | N6 | N7 | 75.6° | 95.0° |
| C22 | C18 | N6 | C16 | 104.6° | 85.0° |
| C18 | C22 | C21 | H211 | 178.1° | 60.8° |
| C18 | C22 | C21 | H212 | 62.5° | 179.2° |
| C18 | C22 | H222 | H221 | 120.2° | 120.1° |
| C22 | C18 | C19 | H192 | 179.2° | 177.6° |
| C22 | C18 | C19 | H191 | 60.6° | 62.3° |
| C19 | C18 | N6 | HC18 | 118.3° | 120.2° |
| C19 | C18 | N6 | N7 | 159.3° | 145.3° |
| C19 | C18 | N6 | C16 | 20.4° | 34.6° |
| C18 | C19 | C20 | H202 | 64.4° | 179.2° |
| C18 | C19 | C20 | H201 | 176.3° | 60.8° |
| C19 | C18 | C22 | H222 | 59.4° | 62.3° |
| C19 | C18 | C22 | H221 | 179.6° | 177.6° |
| C18 | C19 | H192 | H191 | 120.3° | 120.1° |
| C18 | N6 | N7 | C16 | 179.8° | 180.0° |
| C18 | N6 | N7 | C17 | 179.5° | 180.0° |
| C18 | N6 | C16 | C15 | 180.0° | 179.8° |
| N6 | C18 | C22 | H222 | 68.3° | 57.6° |
| N6 | C18 | C22 | H221 | 51.8° | 62.5° |
| C18 | N6 | C16 | HC16 | 0.0° | 0.1° |
| N6 | C18 | C19 | H192 | 54.6° | 62.5° |
| N6 | C18 | C19 | H191 | 65.6° | 57.6° |
| N7 | N6 | C16 | C15 | 0.3° | 0.2° |
| N6 | N7 | C17 | C15 | 1.0° | 0.1° |
| N6 | N7 | C17 | HC17 | 179.0° | 179.8° |
| N7 | N6 | C16 | HC16 | 179.8° | 179.8° |
| N7 | N6 | C18 | HC18 | 41.0° | 25.1° |
| C16 | N6 | N7 | C17 | 0.8° | 0.1° |
| N6 | C16 | C15 | HC16 | 180.0° | 180.0° |
| N6 | C16 | C15 | C17 | 0.3° | 0.2° |
| N6 | C16 | C15 | N5 | 179.9° | 180.0° |
| C16 | N6 | C18 | HC18 | 138.7° | 154.8° |
| N7 | C17 | C15 | C16 | 0.8° | 0.2° |
| N7 | C17 | C15 | HC17 | 180.0° | 179.9° |
| N7 | C17 | C15 | N5 | 179.6° | 179.9° |
| C16 | C15 | C17 | N5 | 179.5° | 179.7° |
| C16 | C15 | N5 | C1 | 168.1° | 179.7° |
| C16 | C15 | C17 | HC17 | 179.2° | 179.7° |
| C16 | C15 | N5 | HN5 | 11.9° | 0.3° |
| C17 | C15 | N5 | C1 | 11.4° | 0.1° |
| C17 | C15 | N5 | HN5 | 168.6° | 180.0° |
| C17 | C15 | C16 | HC16 | 179.7° | 179.8° |
| C15 | N5 | C1 | HN5 | 180.0° | 179.9° |
| C15 | N5 | C1 | N1 | 3.0° | 180.0° |
| C15 | N5 | C1 | N2 | 178.6° | 0.1° |
| N5 | C15 | C17 | HC17 | 0.3° | 0.0° |
| N5 | C15 | C16 | HC16 | 0.1° | 0.1° |
| N5 | C1 | N1 | N2 | 178.1° | 179.9° |
| N5 | C1 | N1 | C4 | 178.2° | 180.0° |
| N5 | C1 | N2 | C2 | 179.4° | 180.0° |
| C1 | N1 | C4 | N3 | 179.4° | 179.9° |
| C1 | N1 | C4 | C3 | 0.6° | 0.0° |
| N1 | C1 | N2 | C2 | 1.3° | 0.1° |
| N1 | C1 | N5 | HN5 | 177.0° | 0.1° |
| C4 | N1 | C1 | N2 | 0.1° | 0.1° |
| N1 | C4 | N3 | C14 | 0.7° | 0.1° |
| N1 | C4 | N3 | C3 | 180.0° | 179.9° |
| N1 | C4 | N3 | C5 | 179.5° | 180.0° |
| N1 | C4 | C3 | C2 | 0.1° | 0.0° |
| N1 | C4 | C3 | C6 | 179.9° | 180.0° |
| C1 | N2 | C2 | C3 | 1.8° | 0.0° |
| C1 | N2 | C2 | HC2 | 178.2° | 180.0° |
| N2 | C1 | N5 | HN5 | 1.4° | 180.0° |
| C14 | N3 | C4 | C5 | 179.8° | 179.9° |
| C14 | N3 | C4 | C3 | 179.3° | 179.9° |
| C14 | N3 | C5 | C8 | 0.7° | 0.1° |
| C14 | N3 | C5 | C6 | 178.9° | 179.9° |
| N3 | C14 | H141 | H143 | 120.0° | 120.0° |
| N3 | C14 | H141 | H142 | 120.0° | 120.0° |
| N3 | C14 | H143 | H142 | 120.0° | 120.0° |
| N3 | C4 | C3 | C2 | 180.0° | 179.9° |
| N3 | C4 | C3 | C6 | 0.1° | 0.1° |
| C4 | N3 | C5 | C8 | 179.5° | 180.0° |
| C4 | N3 | C5 | C6 | 0.9° | 0.1° |
| C4 | N3 | C14 | H141 | 180.0° | 89.9° |
| C4 | N3 | C14 | H143 | 60.0° | 30.1° |
| C4 | N3 | C14 | H142 | 60.0° | 150.1° |
| C3 | C4 | N3 | C5 | 0.5° | 0.1° |
| C4 | C3 | C2 | N2 | 1.2° | 0.0° |
| C4 | C3 | C2 | C6 | 180.0° | 180.0° |
| C4 | C3 | C6 | C5 | 0.6° | 0.0° |
| C4 | C3 | C6 | C7 | 179.8° | 180.0° |
| C4 | C3 | C2 | HC2 | 178.8° | 180.0° |
| N3 | C5 | C6 | C3 | 0.9° | 0.0° |
| N3 | C5 | C8 | C6 | 179.5° | 179.9° |
| N3 | C5 | C8 | C9 | 91.3° | 120.0° |
| N3 | C5 | C8 | C10 | 143.9° | 120.1° |
| N3 | C5 | C6 | C7 | 179.5° | 179.9° |
| N3 | C5 | C8 | HC8 | 25.4° | 0.0° |
| C5 | N3 | C14 | H141 | 0.3° | 90.0° |
| C5 | N3 | C14 | H143 | 120.3° | 150.0° |
| C5 | N3 | C14 | H142 | 119.7° | 30.0° |
| N2 | C2 | C3 | HC2 | 180.0° | 180.0° |
| N2 | C2 | C3 | C6 | 178.8° | 180.0° |
| C2 | C3 | C6 | C5 | 179.4° | 180.0° |
| C2 | C3 | C6 | C7 | 0.2° | 0.0° |
| C3 | C6 | C5 | C8 | 179.5° | 180.0° |
| C3 | C6 | C5 | C7 | 179.6° | 180.0° |
| C3 | C6 | C7 | N4 | 179.4° | 119.3° |
| C6 | C3 | C2 | HC2 | 1.2° | 0.0° |
| C5 | C8 | C9 | C10 | 124.7° | 120.0° |
| C5 | C8 | C9 | HC8 | 116.8° | 120.0° |
| C5 | C8 | C10 | HC8 | 118.5° | 120.0° |
| C8 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C8 | C10 | S1 | 49.1° | 60.0° |
| C5 | C8 | C10 | C13 | 129.8° | 120.3° |
| C5 | C8 | C9 | H9_3 | 180.0° | 60.0° |
| C5 | C8 | C9 | H9_2 | 60.0° | 180.0° |
| C5 | C8 | C9 | H9_1 | 60.0° | 60.0° |
| C6 | C5 | C8 | C9 | 88.3° | 60.0° |
| C6 | C5 | C8 | C10 | 36.6° | 60.0° |
| C5 | C6 | C7 | N4 | 1.1° | 60.7° |
| C6 | C5 | C8 | HC8 | 155.1° | 180.0° |
| C9 | C8 | C10 | HC8 | 118.4° | 120.0° |
| C9 | C8 | C10 | S1 | 172.2° | 60.0° |
| C9 | C8 | C10 | C13 | 6.8° | 119.7° |
| C8 | C9 | H9_3 | H9_2 | 120.0° | 120.0° |
| C8 | C9 | H9_3 | H9_1 | 120.0° | 120.0° |
| C8 | C9 | H9_2 | H9_1 | 120.0° | 120.0° |
| C8 | C10 | S1 | C13 | 179.1° | 179.7° |
| C8 | C10 | S1 | C11 | 178.5° | 180.0° |
| C8 | C10 | C13 | C12 | 178.5° | 180.0° |
| C8 | C10 | C13 | HC13 | 1.6° | 0.1° |
| C10 | C8 | C9 | H9_3 | 55.3° | 60.0° |
| C10 | C8 | C9 | H9_2 | 175.3° | 60.0° |
| C10 | C8 | C9 | H9_1 | 64.7° | 180.0° |
| S1 | C10 | C13 | C12 | 0.6° | 0.2° |
| C10 | S1 | C11 | C12 | 0.5° | 0.2° |
| S1 | C10 | C8 | HC8 | 69.4° | 180.0° |
| S1 | C10 | C13 | HC13 | 179.4° | 179.8° |
| C10 | S1 | C11 | HC11 | 179.5° | 180.0° |
| C13 | C10 | S1 | C11 | 0.6° | 0.2° |
| C10 | C13 | C12 | HC13 | 180.0° | 180.0° |
| C10 | C13 | C12 | C11 | 0.2° | 0.1° |
| C13 | C10 | C8 | HC8 | 111.7° | 0.3° |
| C10 | C13 | C12 | HC12 | 179.8° | 180.0° |
| S1 | C11 | C12 | C13 | 0.3° | 0.1° |
| S1 | C11 | C12 | HC11 | 180.0° | 179.8° |
| S1 | C11 | C12 | HC12 | 179.7° | 179.9° |
| C13 | C12 | C11 | HC12 | 180.0° | 179.9° |
| C13 | C12 | C11 | HC11 | 179.7° | 179.9° |
| C11 | C12 | C13 | HC13 | 179.8° | 179.9° |
| HC8 | C8 | C9 | H9_3 | 63.2° | 180.0° |
| HC8 | C8 | C9 | H9_2 | 56.8° | 60.0° |
| HC8 | C8 | C9 | H9_1 | 176.8° | 60.0° |
| HC13 | C13 | C12 | HC12 | 0.2° | 0.0° |
| H202 | C20 | C19 | H192 | 55.5° | 60.9° |
| H202 | C20 | C19 | H191 | 175.7° | 59.3° |
| H201 | C20 | C19 | H192 | 63.8° | 59.1° |
| H201 | C20 | C19 | H191 | 56.4° | 179.3° |
| H211 | C21 | C22 | H222 | 58.2° | 179.2° |
| H211 | C21 | C22 | H221 | 62.0° | 59.1° |
| H212 | C21 | C22 | H222 | 177.6° | 59.2° |
| H212 | C21 | C22 | H221 | 57.5° | 60.9° |
| H222 | C22 | C18 | HC18 | 174.4° | 177.8° |
| H221 | C22 | C18 | HC18 | 65.5° | 57.7° |
| H9_3 | C9 | H9_2 | H9_1 | 120.0° | 120.0° |
| HC11 | C11 | C12 | HC12 | 0.3° | 0.0° |
| H141 | C14 | H143 | H142 | 120.0° | 120.0° |
| HC18 | C18 | C19 | H192 | 64.3° | 57.7° |
| HC18 | C18 | C19 | H191 | 175.5° | 177.8° |
| H233 | C23 | H232 | H231 | 120.0° | 120.0° |
