A1CI5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.26Å | |
| O03 | C02 | sing | 1.35Å | 1.26Å | |
| C04 | C02 | sing | 1.47Å | 1.52Å | |
| C06 | N05 | sing | 1.36Å | 1.49Å | |
| C08 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| O13 | C12 | sing | 1.36Å | 1.41Å | |
| C14 | O13 | sing | 1.36Å | 1.40Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.52Å | |
| C20 | C06 | doub | 1.38Å | 1.53Å | |
| N05 | C04 | sing | 1.37Å | 1.49Å | |
| C21 | C04 | doub | 1.37Å | 1.53Å | |
| O22 | C21 | sing | 1.36Å | 1.40Å | |
| C23 | C21 | sing | 1.47Å | 1.49Å | |
| O24 | C23 | doub | 1.22Å | 1.19Å | |
| C07 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C23 | sing | 1.41Å | 1.49Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| O22 | H221 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O03 | 120.1° | 120.0° |
| O01 | C02 | C04 | 119.8° | 120.0° |
| O03 | C02 | C04 | 120.1° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| C02 | C04 | N05 | 119.1° | 119.8° |
| C02 | C04 | C21 | 120.8° | 119.8° |
| N05 | C06 | C07 | 119.3° | 119.4° |
| N05 | C06 | C20 | 120.2° | 121.2° |
| C06 | N05 | C04 | 119.7° | 121.8° |
| C06 | N05 | H051 | 120.1° | 119.1° |
| C07 | C08 | C09 | 119.8° | 119.9° |
| C08 | C07 | C06 | 119.4° | 120.2° |
| C08 | C07 | C12 | 120.5° | 119.6° |
| C07 | C08 | H081 | 120.1° | 120.1° |
| C08 | C09 | C10 | 120.1° | 120.3° |
| C09 | C08 | H081 | 120.1° | 120.1° |
| C08 | C09 | H091 | 120.0° | 119.9° |
| C09 | C10 | C11 | 120.1° | 120.4° |
| C09 | C10 | H101 | 119.9° | 119.8° |
| C10 | C09 | H091 | 120.0° | 119.8° |
| C10 | C11 | C12 | 120.0° | 120.1° |
| C11 | C10 | H101 | 120.0° | 119.8° |
| C10 | C11 | H111 | 120.0° | 120.0° |
| C11 | C12 | O13 | 120.8° | 120.1° |
| C11 | C12 | C07 | 119.5° | 119.7° |
| C12 | C11 | H111 | 120.0° | 119.9° |
| C12 | O13 | C14 | 112.6° | 118.0° |
| O13 | C12 | C07 | 119.7° | 120.2° |
| O13 | C14 | C15 | 120.0° | 120.1° |
| O13 | C14 | C19 | 120.5° | 120.1° |
| C14 | C15 | C16 | 120.3° | 119.9° |
| C15 | C14 | C19 | 119.5° | 119.9° |
| C14 | C15 | H151 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.1° |
| C16 | C15 | H151 | 119.9° | 120.0° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.1° |
| C16 | C17 | H171 | 120.1° | 120.0° |
| C17 | C16 | H161 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.1° |
| C18 | C17 | H171 | 120.1° | 119.9° |
| C17 | C18 | H181 | 119.9° | 120.0° |
| C18 | C19 | C14 | 120.1° | 120.0° |
| C19 | C18 | H181 | 119.9° | 120.0° |
| C18 | C19 | H191 | 119.9° | 120.0° |
| C07 | C06 | C20 | 120.5° | 119.5° |
| C06 | C07 | C12 | 120.1° | 120.2° |
| C06 | C20 | C23 | 120.0° | 119.4° |
| C06 | C20 | H201 | 120.0° | 120.3° |
| N05 | C04 | C21 | 120.2° | 120.4° |
| C04 | N05 | H051 | 120.1° | 119.1° |
| C04 | C21 | O22 | 120.9° | 120.6° |
| C04 | C21 | C23 | 120.2° | 118.9° |
| O22 | C21 | C23 | 118.9° | 120.6° |
| C21 | O22 | H221 | 109.5° | 114.0° |
| C21 | C23 | O24 | 119.6° | 120.9° |
| C21 | C23 | C20 | 119.7° | 118.3° |
| O24 | C23 | C20 | 120.7° | 120.8° |
| C14 | C19 | H191 | 119.9° | 120.0° |
| C23 | C20 | H201 | 120.0° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | C04 | 179.5° | 179.9° |
| O01 | C02 | C04 | N05 | 178.5° | 0.0° |
| O01 | C02 | C04 | C21 | 1.3° | 180.0° |
| O01 | C02 | O03 | H1 | 0.0° | 0.0° |
| O03 | C02 | C04 | N05 | 1.0° | 180.0° |
| O03 | C02 | C04 | C21 | 179.2° | 0.0° |
| C02 | C04 | N05 | C06 | 179.9° | 180.0° |
| C02 | C04 | N05 | C21 | 179.8° | 180.0° |
| C02 | C04 | C21 | O22 | 0.2° | 0.0° |
| C02 | C04 | C21 | C23 | 179.7° | 180.0° |
| C02 | C04 | N05 | H051 | 0.1° | 0.0° |
| C04 | C02 | O03 | H1 | 179.5° | 179.9° |
| N05 | C06 | C07 | C08 | 163.7° | 128.0° |
| N05 | C06 | C07 | C20 | 179.6° | 180.0° |
| C06 | N05 | C04 | H051 | 180.0° | 180.0° |
| C06 | N05 | C04 | C21 | 0.1° | 0.0° |
| N05 | C06 | C07 | C12 | 16.6° | 51.8° |
| N05 | C06 | C20 | C23 | 0.3° | 0.0° |
| N05 | C06 | C20 | H201 | 179.7° | 179.7° |
| C07 | C08 | C09 | H081 | 180.0° | 179.8° |
| C07 | C08 | C09 | C10 | 0.1° | 0.6° |
| C08 | C07 | C12 | C11 | 0.5° | 0.2° |
| C08 | C07 | C12 | O13 | 179.9° | 180.0° |
| C08 | C07 | C06 | C12 | 179.8° | 179.8° |
| C08 | C07 | C06 | C20 | 16.0° | 52.0° |
| C07 | C08 | C09 | H091 | 179.9° | 179.5° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.0° | 0.3° |
| C09 | C08 | C07 | C06 | 180.0° | 179.7° |
| C09 | C08 | C07 | C12 | 0.2° | 0.5° |
| C08 | C09 | C10 | H101 | 180.0° | 180.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C09 | C08 | H081 | 180.0° | 179.7° |
| C09 | C10 | C11 | H111 | 179.7° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | O13 | 180.0° | 179.7° |
| C10 | C11 | C12 | C07 | 0.5° | 0.0° |
| C11 | C10 | C09 | H091 | 180.0° | 179.7° |
| C11 | C12 | O13 | C07 | 179.4° | 179.7° |
| C11 | C12 | O13 | C14 | 55.0° | 5.9° |
| C11 | C12 | C07 | C06 | 179.7° | 180.0° |
| C12 | C11 | C10 | H101 | 179.7° | 179.7° |
| C12 | O13 | C14 | C15 | 97.4° | 103.9° |
| O13 | C12 | C07 | C06 | 0.3° | 0.2° |
| C12 | O13 | C14 | C19 | 83.2° | 76.1° |
| O13 | C12 | C11 | H111 | 0.0° | 0.2° |
| O13 | C14 | C15 | C19 | 179.4° | 180.0° |
| O13 | C14 | C15 | C16 | 179.6° | 179.8° |
| O13 | C14 | C19 | C18 | 179.6° | 180.0° |
| C14 | O13 | C12 | C07 | 125.5° | 174.3° |
| O13 | C14 | C15 | H151 | 0.4° | 0.0° |
| O13 | C14 | C19 | H191 | 0.4° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C19 | C18 | 0.3° | 0.0° |
| C14 | C15 | C16 | H161 | 179.8° | 180.0° |
| C15 | C14 | C19 | H191 | 179.7° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.6° |
| C16 | C15 | C14 | C19 | 0.2° | 0.3° |
| C15 | C16 | C17 | H171 | 179.8° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.4° |
| C16 | C17 | C18 | C19 | 0.2° | 0.8° |
| C17 | C16 | C15 | H151 | 179.8° | 179.7° |
| C16 | C17 | C18 | H181 | 179.8° | 179.9° |
| C17 | C18 | C19 | H181 | 180.0° | 179.2° |
| C17 | C18 | C19 | C14 | 0.2° | 0.5° |
| C18 | C17 | C16 | H161 | 179.8° | 179.5° |
| C17 | C18 | C19 | H191 | 179.8° | 179.4° |
| C18 | C19 | C14 | H191 | 180.0° | 180.0° |
| C19 | C18 | C17 | H171 | 179.8° | 179.7° |
| C07 | C06 | N05 | C04 | 179.9° | 180.0° |
| C07 | C06 | C20 | C23 | 179.9° | 179.9° |
| C07 | C06 | C20 | H201 | 0.1° | 0.3° |
| C06 | C07 | C08 | H081 | 0.0° | 0.1° |
| C07 | C06 | N05 | H051 | 0.1° | 0.0° |
| C20 | C06 | N05 | C04 | 0.3° | 0.0° |
| C06 | C20 | C23 | C21 | 0.0° | 0.1° |
| C06 | C20 | C23 | O24 | 179.6° | 180.0° |
| C20 | C06 | C07 | C12 | 163.8° | 128.2° |
| C06 | C20 | C23 | H201 | 180.0° | 179.7° |
| C20 | C06 | N05 | H051 | 179.7° | 180.0° |
| N05 | C04 | C21 | O22 | 180.0° | 180.0° |
| N05 | C04 | C21 | C23 | 0.1° | 0.0° |
| C04 | C21 | O22 | C23 | 179.9° | 180.0° |
| C04 | C21 | C23 | O24 | 179.8° | 180.0° |
| C04 | C21 | C23 | C20 | 0.2° | 0.1° |
| C21 | C04 | N05 | H051 | 179.9° | 180.0° |
| C04 | C21 | O22 | H221 | 0.7° | 180.0° |
| O22 | C21 | C23 | O24 | 0.3° | 0.0° |
| O22 | C21 | C23 | C20 | 179.9° | 180.0° |
| C21 | C23 | O24 | C20 | 179.6° | 179.9° |
| C21 | C23 | C20 | H201 | 180.0° | 179.7° |
| C23 | C21 | O22 | H221 | 179.2° | 0.0° |
| O24 | C23 | C20 | H201 | 0.4° | 0.3° |
| C12 | C07 | C08 | H081 | 179.8° | 179.7° |
| C07 | C12 | C11 | H111 | 179.5° | 180.0° |
| C19 | C14 | C15 | H151 | 179.8° | 180.0° |
| C14 | C19 | C18 | H181 | 179.7° | 179.7° |
| H101 | C10 | C09 | H091 | 0.0° | 0.0° |
| H101 | C10 | C11 | H111 | 0.3° | 0.2° |
| H151 | C15 | C16 | H161 | 0.2° | 0.2° |
| H171 | C17 | C16 | H161 | 0.2° | 0.1° |
| H171 | C17 | C18 | H181 | 0.2° | 0.5° |
| H081 | C08 | C09 | H091 | 0.1° | 0.3° |
| H181 | C18 | C19 | H191 | 0.3° | 0.2° |
