A9T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.48Å | 1.54Å | |
| C1 | OAB | doub | 1.21Å | 1.23Å | |
| O1 | C12 | sing | 1.36Å | 1.37Å | |
| O1 | CAS | sing | 1.43Å | 1.46Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.36Å | 1.33Å | Aromatic |
| N3 | C5 | doub | 1.31Å | 1.34Å | Aromatic |
| C4 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| N4 | C5 | sing | 1.37Å | 1.34Å | Aromatic |
| N4 | C6 | sing | 1.38Å | 1.33Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.40Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.37Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | NBG | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | CAS | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | NBG | sing | 1.47Å | 1.49Å | |
| C21 | NBG | sing | 1.47Å | 54.87Å | |
| C22 | C23 | doub | 1.38Å | 0.00Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 0.00Å | |
| C22 | C27 | sing | 1.38Å | 0.00Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 0.00Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 0.00Å | |
| C24 | C25 | doub | 1.38Å | 0.00Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 0.00Å | |
| C25 | C26 | sing | 1.38Å | 0.00Å | Aromatic |
| C25 | CL1 | sing | 1.74Å | 0.00Å | |
| C26 | C27 | doub | 1.38Å | 0.00Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 0.00Å | |
| C21 | H21 | sing | 1.09Å | 0.00Å | |
| C21 | H22 | sing | 1.09Å | 0.00Å | |
| C27 | H27 | sing | 1.08Å | 0.00Å | |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| N1 | H12N | sing | 0.97Å | 1.00Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | 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 | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 115.0° | 119.9° |
| N1 | C1 | OAB | 123.5° | 120.0° |
| C1 | N1 | H11N | 120.0° | 120.1° |
| C1 | N1 | H12N | 120.0° | 119.9° |
| C2 | C1 | OAB | 121.5° | 120.0° |
| C1 | C2 | C3 | 119.9° | 119.9° |
| C1 | C2 | C8 | 120.4° | 119.9° |
| C12 | O1 | CAS | 118.0° | 117.0° |
| O1 | C12 | C11 | 118.7° | 119.9° |
| O1 | C12 | C13 | 121.6° | 119.9° |
| O1 | CAS | C18 | 98.5° | 109.5° |
| O1 | CAS | HAS1 | 112.2° | 109.4° |
| O1 | CAS | HAS2 | 112.1° | 109.5° |
| C3 | C2 | C8 | 119.7° | 120.2° |
| C2 | C3 | C4 | 120.3° | 119.6° |
| C2 | C3 | H3 | 119.9° | 120.3° |
| C2 | C8 | C7 | 119.9° | 120.4° |
| C2 | C8 | H8 | 120.0° | 119.8° |
| C3 | C4 | N3 | 132.9° | 133.4° |
| C3 | C4 | C6 | 119.9° | 119.4° |
| C4 | C3 | H3 | 119.9° | 120.1° |
| C4 | N3 | C5 | 108.6° | 109.6° |
| N3 | C4 | C6 | 107.2° | 107.2° |
| N3 | C5 | N4 | 108.4° | 109.8° |
| N3 | C5 | C9 | 125.5° | 125.1° |
| C4 | C6 | N4 | 107.0° | 106.1° |
| C4 | C6 | C7 | 120.0° | 120.2° |
| C5 | N4 | C6 | 108.7° | 107.3° |
| N4 | C5 | C9 | 126.0° | 125.1° |
| C5 | N4 | H4 | 125.7° | 126.3° |
| N4 | C6 | C7 | 133.0° | 133.7° |
| C6 | N4 | H4 | 125.6° | 126.4° |
| C5 | C9 | C10 | 120.6° | 120.1° |
| C5 | C9 | C14 | 120.0° | 120.1° |
| C6 | C7 | C8 | 120.2° | 120.2° |
| C6 | C7 | H7 | 119.9° | 119.9° |
| C7 | C8 | H8 | 120.0° | 119.8° |
| C8 | C7 | H7 | 119.9° | 119.9° |
| C10 | C9 | C14 | 119.4° | 119.8° |
| C9 | C10 | C11 | 120.0° | 119.9° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C9 | C14 | C13 | 120.5° | 119.9° |
| C9 | C14 | H14 | 119.7° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.1° |
| C11 | C10 | H10 | 120.0° | 120.1° |
| C10 | C11 | H11 | 119.7° | 120.0° |
| C11 | C12 | C13 | 119.5° | 120.2° |
| C12 | C11 | H11 | 119.8° | 119.9° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | H14 | 119.8° | 120.1° |
| C14 | C13 | H13 | 120.0° | 119.9° |
| C17 | C16 | NBG | 108.9° | 109.5° |
| C16 | C17 | C18 | 110.8° | 109.3° |
| C17 | C16 | H161 | 109.6° | 109.5° |
| C17 | C16 | H162 | 109.6° | 109.5° |
| C16 | C17 | H171 | 109.1° | 109.5° |
| C16 | C17 | H172 | 109.1° | 109.5° |
| C16 | NBG | C20 | 106.8° | 111.2° |
| C16 | NBG | C21 | 97.6° | 111.0° |
| NBG | C16 | H161 | 109.6° | 109.4° |
| NBG | C16 | H162 | 109.6° | 109.5° |
| C17 | C18 | C19 | 110.4° | 109.1° |
| C17 | C18 | CAS | 112.5° | 109.5° |
| C18 | C17 | H171 | 109.1° | 109.5° |
| C18 | C17 | H172 | 109.1° | 109.5° |
| C17 | C18 | H18 | 106.8° | 109.6° |
| C19 | C18 | CAS | 113.5° | 109.5° |
| C18 | C19 | C20 | 110.6° | 109.3° |
| C19 | C18 | H18 | 106.6° | 109.6° |
| C18 | C19 | H191 | 109.2° | 109.5° |
| C18 | C19 | H192 | 109.2° | 109.6° |
| C18 | CAS | HAS1 | 112.1° | 109.5° |
| C18 | CAS | HAS2 | 112.2° | 109.5° |
| CAS | C18 | H18 | 106.5° | 109.5° |
| C19 | C20 | NBG | 108.5° | 109.5° |
| C20 | C19 | H191 | 109.2° | 109.5° |
| C20 | C19 | H192 | 109.2° | 109.5° |
| C19 | C20 | H201 | 109.7° | 109.5° |
| C19 | C20 | H202 | 109.7° | 109.5° |
| C20 | NBG | C21 | 24.6° | 111.0° |
| NBG | C20 | H201 | 109.7° | 109.5° |
| NBG | C20 | H202 | 109.7° | 109.5° |
| NBG | C21 | C22 | 90.0° | 109.5° |
| NBG | C21 | H21 | 90.0° | 109.5° |
| NBG | C21 | H22 | 90.0° | 109.5° |
| C23 | C22 | C21 | 90.0° | 120.0° |
| C23 | C22 | C27 | 90.0° | 120.0° |
| C22 | C23 | C24 | 90.0° | 120.0° |
| C22 | C23 | H23 | 90.0° | 120.0° |
| C21 | C22 | C27 | 90.0° | 120.0° |
| C22 | C21 | H21 | 90.0° | 109.4° |
| C22 | C21 | H22 | 90.0° | 109.5° |
| C22 | C27 | C26 | 90.0° | 120.0° |
| C22 | C27 | H27 | 90.0° | 120.0° |
| C24 | C23 | H23 | 90.0° | 120.0° |
| C23 | C24 | C25 | 90.0° | 120.0° |
| C23 | C24 | H24 | 90.0° | 120.0° |
| C25 | C24 | H24 | 90.0° | 120.1° |
| C24 | C25 | C26 | 90.0° | 120.0° |
| C24 | C25 | CL1 | 90.0° | 120.0° |
| C26 | C25 | CL1 | 90.0° | 120.0° |
| C25 | C26 | C27 | 90.0° | 120.0° |
| C25 | C26 | H26 | 90.0° | 120.0° |
| C27 | C26 | H26 | 90.0° | 120.0° |
| C26 | C27 | H27 | 90.0° | 120.0° |
| H21 | C21 | H22 | 90.0° | 109.5° |
| H11N | N1 | H12N | 120.0° | 120.0° |
| HAS1 | CAS | HAS2 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | OAB | 179.1° | 179.7° |
| N1 | C1 | C2 | C3 | 0.8° | 180.0° |
| N1 | C1 | C2 | C8 | 179.5° | 0.3° |
| C1 | N1 | H11N | H12N | 180.0° | 180.0° |
| C1 | C2 | C3 | C8 | 179.7° | 179.7° |
| C1 | C2 | C3 | C4 | 179.9° | 179.9° |
| C1 | C2 | C8 | C7 | 179.8° | 179.7° |
| C2 | C1 | N1 | H11N | 179.1° | 0.1° |
| C2 | C1 | N1 | H12N | 0.9° | 180.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.1° |
| C1 | C2 | C8 | H8 | 0.2° | 0.0° |
| OAB | C1 | C2 | C3 | 178.3° | 0.3° |
| OAB | C1 | C2 | C8 | 1.5° | 180.0° |
| OAB | C1 | N1 | H11N | 0.0° | 179.7° |
| OAB | C1 | N1 | H12N | 180.0° | 0.3° |
| O1 | C12 | C11 | C10 | 177.9° | 180.0° |
| O1 | C12 | C11 | C13 | 175.9° | 180.0° |
| O1 | C12 | C13 | C14 | 178.9° | 179.7° |
| C12 | O1 | CAS | C18 | 178.4° | 180.0° |
| C12 | O1 | CAS | HAS1 | 60.2° | 60.0° |
| C12 | O1 | CAS | HAS2 | 63.4° | 60.0° |
| O1 | C12 | C11 | H11 | 2.1° | 0.0° |
| O1 | C12 | C13 | H13 | 1.1° | 0.1° |
| CAS | O1 | C12 | C11 | 163.2° | 180.0° |
| CAS | O1 | C12 | C13 | 21.0° | 0.0° |
| O1 | CAS | C18 | C17 | 55.8° | 65.3° |
| O1 | CAS | C18 | C19 | 70.4° | 175.0° |
| O1 | CAS | C18 | HAS1 | 118.2° | 120.0° |
| O1 | CAS | C18 | HAS2 | 118.2° | 120.0° |
| O1 | CAS | HAS1 | HAS2 | 125.1° | 120.0° |
| O1 | CAS | C18 | H18 | 172.5° | 54.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | N3 | 179.0° | 180.0° |
| C2 | C3 | C4 | C6 | 0.2° | 0.0° |
| C3 | C2 | C8 | C7 | 0.4° | 0.6° |
| C3 | C2 | C8 | H8 | 179.6° | 179.7° |
| C8 | C2 | C3 | C4 | 0.3° | 0.3° |
| C2 | C8 | C7 | C6 | 0.4° | 0.6° |
| C2 | C8 | C7 | H8 | 180.0° | 179.7° |
| C8 | C2 | C3 | H3 | 179.7° | 179.8° |
| C2 | C8 | C7 | H7 | 179.6° | 179.8° |
| C3 | C4 | N3 | C6 | 179.3° | 180.0° |
| C3 | C4 | N3 | C5 | 179.1° | 180.0° |
| C3 | C4 | C6 | N4 | 179.9° | 180.0° |
| C3 | C4 | C6 | C7 | 0.2° | 0.0° |
| C4 | N3 | C5 | N4 | 2.0° | 0.1° |
| N3 | C4 | C6 | N4 | 0.7° | 0.0° |
| C4 | N3 | C5 | C9 | 179.8° | 179.9° |
| N3 | C4 | C6 | C7 | 179.2° | 180.0° |
| N3 | C4 | C3 | H3 | 1.0° | 0.1° |
| C5 | N3 | C4 | C6 | 1.7° | 0.0° |
| N3 | C5 | N4 | C9 | 177.8° | 179.9° |
| N3 | C5 | N4 | C6 | 1.5° | 0.1° |
| N3 | C5 | C9 | C10 | 176.3° | 0.1° |
| N3 | C5 | C9 | C14 | 5.5° | 179.7° |
| N3 | C5 | N4 | H4 | 178.5° | 180.0° |
| C4 | C6 | N4 | C5 | 0.5° | 0.0° |
| C4 | C6 | N4 | C7 | 179.8° | 179.9° |
| C4 | C6 | C7 | C8 | 0.3° | 0.3° |
| C6 | C4 | C3 | H3 | 179.8° | 179.9° |
| C4 | C6 | N4 | H4 | 179.5° | 180.0° |
| C4 | C6 | C7 | H7 | 179.7° | 180.0° |
| C5 | N4 | C6 | H4 | 180.0° | 180.0° |
| C5 | N4 | C6 | C7 | 179.7° | 180.0° |
| N4 | C5 | C9 | C10 | 6.3° | 180.0° |
| N4 | C5 | C9 | C14 | 171.8° | 0.4° |
| C6 | N4 | C5 | C9 | 179.3° | 179.9° |
| N4 | C6 | C7 | C8 | 179.9° | 179.7° |
| N4 | C6 | C7 | H7 | 0.2° | 0.1° |
| C5 | C9 | C10 | C14 | 178.1° | 179.6° |
| C5 | C9 | C10 | C11 | 179.7° | 180.0° |
| C5 | C9 | C14 | C13 | 179.2° | 179.8° |
| C9 | C5 | N4 | H4 | 0.7° | 0.1° |
| C5 | C9 | C10 | H10 | 0.3° | 0.2° |
| C5 | C9 | C14 | H14 | 0.9° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.6° |
| C6 | C7 | C8 | H8 | 179.6° | 179.7° |
| C7 | C6 | N4 | H4 | 0.3° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | C9 | C14 | C13 | 1.0° | 0.6° |
| C10 | C9 | C14 | H14 | 179.0° | 179.7° |
| C9 | C10 | C11 | H11 | 179.3° | 179.9° |
| C14 | C9 | C10 | C11 | 2.2° | 0.3° |
| C9 | C14 | C13 | C12 | 1.6° | 0.5° |
| C9 | C14 | C13 | H14 | 180.0° | 179.7° |
| C14 | C9 | C10 | H10 | 177.8° | 179.8° |
| C9 | C14 | C13 | H13 | 178.3° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.0° | 0.0° |
| C11 | C12 | C13 | C14 | 3.1° | 0.2° |
| C12 | C11 | C10 | H10 | 179.3° | 179.9° |
| C11 | C12 | C13 | H13 | 176.9° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | H14 | 178.3° | 179.8° |
| C13 | C12 | C11 | H11 | 178.0° | 180.0° |
| C17 | C16 | NBG | H161 | 119.9° | 120.0° |
| C17 | C16 | NBG | H162 | 119.9° | 120.1° |
| C16 | C17 | C18 | H171 | 120.2° | 119.9° |
| C16 | C17 | C18 | H172 | 120.2° | 120.0° |
| C16 | C17 | C18 | C19 | 52.1° | 57.7° |
| C16 | C17 | C18 | CAS | 180.0° | 177.5° |
| C17 | C16 | NBG | C20 | 67.0° | 61.7° |
| C17 | C16 | NBG | C21 | 43.6° | 62.4° |
| C17 | C16 | H161 | H162 | 120.3° | 120.0° |
| C16 | C17 | H171 | H172 | 119.4° | 120.1° |
| C16 | C17 | C18 | H18 | 63.4° | 62.3° |
| NBG | C16 | C17 | C18 | 60.1° | 59.2° |
| C16 | NBG | C20 | C19 | 67.0° | 61.7° |
| C16 | NBG | C20 | C21 | 70.9° | 124.1° |
| C16 | NBG | C21 | C22 | 90.0° | 65.8° |
| C16 | NBG | C21 | H21 | 90.0° | 54.2° |
| C16 | NBG | C21 | H22 | 90.0° | 174.2° |
| NBG | C16 | H161 | H162 | 120.3° | 119.9° |
| NBG | C16 | C17 | H171 | 60.1° | 179.1° |
| NBG | C16 | C17 | H172 | 179.7° | 60.8° |
| C16 | NBG | C20 | H201 | 173.1° | 178.2° |
| C16 | NBG | C20 | H202 | 52.8° | 58.3° |
| C17 | C18 | C19 | CAS | 127.4° | 119.9° |
| C17 | C18 | C19 | H18 | 115.6° | 120.0° |
| C17 | C18 | CAS | H18 | 116.7° | 120.2° |
| C17 | C18 | C19 | C20 | 52.3° | 57.7° |
| C17 | C18 | CAS | HAS1 | 174.0° | 54.6° |
| C17 | C18 | CAS | HAS2 | 62.4° | 174.6° |
| C18 | C17 | C16 | H161 | 59.8° | 60.8° |
| C18 | C17 | C16 | H162 | 180.0° | 179.2° |
| C18 | C17 | H171 | H172 | 119.4° | 120.1° |
| C17 | C18 | C19 | H191 | 67.9° | 177.7° |
| C17 | C18 | C19 | H192 | 172.4° | 62.3° |
| C19 | C18 | CAS | H18 | 117.0° | 120.1° |
| C18 | C19 | C20 | H191 | 120.2° | 120.0° |
| C18 | C19 | C20 | H192 | 120.2° | 120.1° |
| C18 | C19 | C20 | NBG | 60.1° | 59.2° |
| C19 | C18 | CAS | HAS1 | 47.7° | 65.0° |
| C19 | C18 | CAS | HAS2 | 171.4° | 55.0° |
| C19 | C18 | C17 | H171 | 68.1° | 177.6° |
| C19 | C18 | C17 | H172 | 172.3° | 62.3° |
| C18 | C19 | H191 | H192 | 119.5° | 120.1° |
| C18 | C19 | C20 | H201 | 180.0° | 179.2° |
| C18 | C19 | C20 | H202 | 59.7° | 60.8° |
| CAS | C18 | C19 | C20 | 179.6° | 177.6° |
| C18 | CAS | HAS1 | HAS2 | 125.2° | 120.0° |
| CAS | C18 | C17 | H171 | 59.8° | 62.5° |
| CAS | C18 | C17 | H172 | 59.8° | 57.6° |
| CAS | C18 | C19 | H191 | 59.4° | 62.5° |
| CAS | C18 | C19 | H192 | 60.2° | 57.5° |
| C19 | C20 | NBG | H201 | 119.8° | 120.1° |
| C19 | C20 | NBG | H202 | 119.8° | 120.0° |
| C19 | C20 | NBG | C21 | 3.8° | 62.4° |
| C20 | C19 | C18 | H18 | 63.4° | 62.3° |
| C20 | C19 | H191 | H192 | 119.5° | 120.0° |
| C19 | C20 | H201 | H202 | 120.4° | 120.0° |
| C20 | NBG | C21 | C22 | 90.0° | 170.0° |
| C20 | NBG | C21 | H21 | 90.0° | 70.0° |
| C20 | NBG | C21 | H22 | 90.0° | 50.0° |
| C20 | NBG | C16 | H161 | 52.9° | 58.3° |
| C20 | NBG | C16 | H162 | 173.1° | 178.2° |
| NBG | C20 | C19 | H191 | 60.0° | 179.2° |
| NBG | C20 | C19 | H192 | 179.7° | 60.9° |
| NBG | C20 | H201 | H202 | 120.5° | 120.0° |
| NBG | C21 | C22 | C23 | 90.0° | 89.9° |
| NBG | C21 | C22 | H21 | 90.0° | 120.0° |
| NBG | C21 | C22 | H22 | 90.0° | 120.0° |
| NBG | C21 | C22 | C27 | 90.0° | 89.7° |
| NBG | C21 | H21 | H22 | 90.0° | 120.0° |
| C21 | NBG | C16 | H161 | 76.3° | 177.6° |
| C21 | NBG | C16 | H162 | 163.5° | 57.7° |
| C21 | NBG | C20 | H201 | 116.0° | 57.7° |
| C21 | NBG | C20 | H202 | 123.7° | 177.6° |
| C23 | C22 | C21 | C27 | 90.0° | 179.6° |
| C22 | C23 | C24 | H23 | 90.0° | 179.9° |
| C22 | C23 | C24 | C25 | 90.0° | 0.1° |
| C22 | C23 | C24 | H24 | 90.0° | 180.0° |
| C23 | C22 | C27 | C26 | 90.0° | 0.6° |
| C23 | C22 | C21 | H21 | 90.0° | 30.1° |
| C23 | C22 | C21 | H22 | 90.0° | 150.0° |
| C23 | C22 | C27 | H27 | 90.0° | 180.0° |
| C21 | C22 | C23 | C24 | 90.0° | 180.0° |
| C21 | C22 | C23 | H23 | 90.0° | 0.1° |
| C21 | C22 | C27 | C26 | 90.0° | 179.8° |
| C22 | C21 | H21 | H22 | 90.0° | 119.9° |
| C21 | C22 | C27 | H27 | 90.0° | 0.4° |
| C27 | C22 | C23 | C24 | 90.0° | 0.4° |
| C27 | C22 | C23 | H23 | 90.0° | 179.7° |
| C22 | C27 | C26 | C25 | 90.0° | 0.5° |
| C22 | C27 | C26 | H27 | 90.0° | 179.4° |
| C22 | C27 | C26 | H26 | 90.0° | 179.7° |
| C27 | C22 | C21 | H21 | 90.0° | 150.3° |
| C27 | C22 | C21 | H22 | 90.0° | 30.4° |
| C23 | C24 | C25 | H24 | 90.0° | 179.9° |
| C23 | C24 | C25 | C26 | 90.0° | 0.0° |
| C23 | C24 | C25 | CL1 | 90.0° | 180.0° |
| H23 | C23 | C24 | C25 | 90.0° | 180.0° |
| H23 | C23 | C24 | H24 | 90.0° | 0.1° |
| C24 | C25 | C26 | CL1 | 90.0° | 180.0° |
| C24 | C25 | C26 | C27 | 90.0° | 0.2° |
| C24 | C25 | C26 | H26 | 90.0° | 180.0° |
| H24 | C24 | C25 | C26 | 90.0° | 179.9° |
| H24 | C24 | C25 | CL1 | 90.0° | 0.0° |
| C25 | C26 | C27 | H26 | 90.0° | 179.7° |
| C25 | C26 | C27 | H27 | 90.0° | 179.9° |
| CL1 | C25 | C26 | C27 | 90.0° | 179.7° |
| CL1 | C25 | C26 | H26 | 90.0° | 0.0° |
| H26 | C26 | C27 | H27 | 90.0° | 0.3° |
| HAS1 | CAS | C18 | H18 | 69.3° | 174.9° |
| HAS2 | CAS | C18 | H18 | 54.3° | 65.1° |
| H8 | C8 | C7 | H7 | 0.4° | 0.1° |
| H10 | C10 | C11 | H11 | 0.7° | 0.1° |
| H14 | C14 | C13 | H13 | 1.7° | 0.0° |
| H161 | C16 | C17 | H171 | 180.0° | 59.2° |
| H161 | C16 | C17 | H172 | 60.4° | 179.2° |
| H162 | C16 | C17 | H171 | 59.8° | 60.8° |
| H162 | C16 | C17 | H172 | 59.8° | 59.2° |
| H171 | C17 | C18 | H18 | 176.4° | 57.6° |
| H172 | C17 | C18 | H18 | 56.8° | 177.7° |
| H18 | C18 | C19 | H191 | 176.4° | 57.6° |
| H18 | C18 | C19 | H192 | 56.8° | 177.6° |
| H191 | C19 | C20 | H201 | 59.9° | 60.8° |
| H191 | C19 | C20 | H202 | 179.9° | 59.1° |
| H192 | C19 | C20 | H201 | 59.8° | 59.2° |
| H192 | C19 | C20 | H202 | 60.4° | 179.1° |
