A1ABH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | N19 | sing | 1.39Å | 1.38Å | |
| C13 | C11 | sing | 1.47Å | 1.46Å | |
| N19 | C09 | sing | 1.47Å | 1.48Å | |
| CL07 | C06 | sing | 1.74Å | 1.71Å | |
| C09 | N10 | sing | 1.46Å | 1.48Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C11 | N10 | sing | 1.35Å | 1.42Å | |
| C11 | O12 | doub | 1.22Å | 1.22Å | |
| C06 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.33Å | |
| C02 | C03 | doub | 1.38Å | 1.43Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 120.9° | 120.5° |
| C16 | C15 | C14 | 118.9° | 120.5° |
| C16 | C15 | H151 | 120.5° | 119.7° |
| C15 | C16 | H161 | 119.5° | 119.8° |
| C16 | C17 | C18 | 120.9° | 119.7° |
| C16 | C17 | H171 | 119.5° | 120.2° |
| C17 | C16 | H161 | 119.6° | 119.7° |
| C15 | C14 | C13 | 121.0° | 119.5° |
| C14 | C15 | H151 | 120.5° | 119.8° |
| C15 | C14 | H141 | 119.5° | 120.2° |
| C17 | C18 | C13 | 117.6° | 119.9° |
| C17 | C18 | N19 | 123.1° | 122.0° |
| C18 | C17 | H171 | 119.5° | 120.2° |
| C14 | C13 | C18 | 120.6° | 119.8° |
| C14 | C13 | C11 | 121.1° | 121.8° |
| C13 | C14 | H141 | 119.5° | 120.3° |
| C13 | C18 | N19 | 119.3° | 118.1° |
| C18 | C13 | C11 | 118.3° | 118.4° |
| C18 | N19 | C09 | 121.5° | 118.3° |
| C18 | N19 | H191 | 106.4° | 120.8° |
| C13 | C11 | N10 | 118.8° | 119.2° |
| C13 | C11 | O12 | 123.5° | 120.4° |
| N19 | C09 | N10 | 108.8° | 110.1° |
| N19 | C09 | C08 | 117.9° | 109.7° |
| N19 | C09 | H091 | 106.8° | 109.0° |
| C09 | N19 | H191 | 106.4° | 120.9° |
| CL07 | C06 | C08 | 119.5° | 120.0° |
| CL07 | C06 | C05 | 114.9° | 120.0° |
| N10 | C09 | C08 | 109.7° | 109.3° |
| C09 | N10 | C11 | 121.9° | 121.2° |
| N10 | C09 | H091 | 106.8° | 109.4° |
| C09 | N10 | H101 | 119.1° | 119.4° |
| C09 | C08 | C06 | 123.5° | 120.0° |
| C09 | C08 | C02 | 123.9° | 120.0° |
| C08 | C09 | H091 | 106.1° | 109.3° |
| N10 | C11 | O12 | 117.7° | 120.4° |
| C11 | N10 | H101 | 119.0° | 119.4° |
| C08 | C06 | C05 | 125.5° | 119.9° |
| C06 | C08 | C02 | 112.6° | 120.0° |
| C06 | C05 | C04 | 119.5° | 120.1° |
| C06 | C05 | H051 | 120.3° | 119.9° |
| C08 | C02 | F01 | 118.3° | 120.0° |
| C08 | C02 | C03 | 124.5° | 120.0° |
| C05 | C04 | C03 | 119.1° | 120.0° |
| C05 | C04 | H041 | 120.4° | 120.0° |
| C04 | C05 | H051 | 120.3° | 120.0° |
| F01 | C02 | C03 | 117.2° | 120.0° |
| C02 | C03 | C04 | 118.8° | 120.0° |
| C02 | C03 | H031 | 120.6° | 120.0° |
| C04 | C03 | H031 | 120.6° | 120.0° |
| C03 | C04 | H041 | 120.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H161 | 180.0° | 179.7° |
| C16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.4° |
| C16 | C15 | C14 | C13 | 0.5° | 0.0° |
| C15 | C16 | C17 | H171 | 179.0° | 179.8° |
| C16 | C15 | C14 | H141 | 179.5° | 180.0° |
| C17 | C16 | C15 | C14 | 0.7° | 0.3° |
| C16 | C17 | C18 | H171 | 180.0° | 179.8° |
| C16 | C17 | C18 | C13 | 0.1° | 0.4° |
| C16 | C17 | C18 | N19 | 179.5° | 179.4° |
| C17 | C16 | C15 | H151 | 179.3° | 179.8° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C15 | C14 | C13 | C18 | 1.4° | 0.0° |
| C15 | C14 | C13 | C11 | 179.5° | 179.8° |
| C14 | C15 | C16 | H161 | 179.3° | 179.9° |
| C17 | C18 | C13 | C14 | 1.0° | 0.1° |
| C17 | C18 | C13 | N19 | 179.7° | 179.8° |
| C17 | C18 | C13 | C11 | 179.8° | 179.6° |
| C17 | C18 | N19 | C09 | 150.9° | 149.8° |
| C18 | C17 | C16 | H161 | 179.0° | 179.9° |
| C17 | C18 | N19 | H191 | 87.5° | 29.9° |
| C14 | C13 | C18 | C11 | 179.1° | 179.8° |
| C14 | C13 | C18 | N19 | 179.3° | 179.6° |
| C14 | C13 | C11 | N10 | 167.2° | 166.2° |
| C14 | C13 | C11 | O12 | 12.7° | 13.9° |
| C13 | C14 | C15 | H151 | 179.5° | 180.0° |
| C13 | C18 | N19 | C09 | 28.8° | 30.0° |
| C18 | C13 | C11 | N10 | 13.7° | 14.1° |
| C18 | C13 | C11 | O12 | 166.5° | 165.9° |
| C13 | C18 | C17 | H171 | 179.9° | 179.8° |
| C18 | C13 | C14 | H141 | 178.6° | 180.0° |
| C13 | C18 | N19 | H191 | 92.9° | 150.4° |
| N19 | C18 | C13 | C11 | 0.2° | 0.6° |
| C18 | N19 | C09 | H191 | 121.7° | 179.7° |
| C18 | N19 | C09 | N10 | 39.8° | 44.8° |
| C18 | N19 | C09 | C08 | 165.5° | 75.5° |
| N19 | C18 | C17 | H171 | 0.4° | 0.4° |
| C18 | N19 | C09 | H091 | 75.2° | 164.9° |
| C13 | C11 | N10 | C09 | 0.6° | 3.7° |
| C13 | C11 | N10 | O12 | 179.8° | 179.9° |
| C11 | C13 | C14 | H141 | 0.5° | 0.2° |
| C13 | C11 | N10 | H101 | 179.4° | 176.6° |
| N19 | C09 | N10 | C08 | 130.4° | 120.6° |
| N19 | C09 | N10 | H091 | 115.0° | 119.8° |
| N19 | C09 | C08 | H091 | 119.6° | 119.5° |
| N19 | C09 | N10 | C11 | 25.0° | 31.3° |
| N19 | C09 | C08 | C06 | 146.2° | 150.8° |
| N19 | C09 | C08 | C02 | 33.1° | 28.7° |
| N19 | C09 | N10 | H101 | 155.1° | 149.0° |
| CL07 | C06 | C08 | C09 | 0.7° | 0.5° |
| CL07 | C06 | C08 | C05 | 179.6° | 179.5° |
| CL07 | C06 | C08 | C02 | 180.0° | 180.0° |
| CL07 | C06 | C05 | C04 | 180.0° | 179.7° |
| CL07 | C06 | C05 | H051 | 0.0° | 0.2° |
| N10 | C09 | C08 | H091 | 115.1° | 119.7° |
| C09 | N10 | C11 | H101 | 180.0° | 179.7° |
| C09 | N10 | C11 | O12 | 179.2° | 176.4° |
| N10 | C09 | C08 | C06 | 88.5° | 30.0° |
| N10 | C09 | C08 | C02 | 92.3° | 149.5° |
| N10 | C09 | N19 | H191 | 81.9° | 135.5° |
| C08 | C09 | N10 | C11 | 155.4° | 89.3° |
| C09 | C08 | C06 | C02 | 179.3° | 179.5° |
| C09 | C08 | C06 | C05 | 179.6° | 180.0° |
| C09 | C08 | C02 | F01 | 0.7° | 0.2° |
| C09 | C08 | C02 | C03 | 179.2° | 180.0° |
| C08 | C09 | N10 | H101 | 24.7° | 90.4° |
| C08 | C09 | N19 | H191 | 43.9° | 104.1° |
| C11 | N10 | C09 | H091 | 90.1° | 151.1° |
| O12 | C11 | N10 | H101 | 0.8° | 3.3° |
| C08 | C06 | C05 | C04 | 0.4° | 0.2° |
| C06 | C08 | C02 | F01 | 180.0° | 179.7° |
| C06 | C08 | C02 | C03 | 0.1° | 0.5° |
| C08 | C06 | C05 | H051 | 179.6° | 179.7° |
| C06 | C08 | C09 | H091 | 26.5° | 89.7° |
| C05 | C06 | C08 | C02 | 0.4° | 0.5° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.0° | 0.0° |
| C06 | C05 | C04 | H041 | 180.0° | 180.0° |
| C08 | C02 | F01 | C03 | 180.0° | 179.8° |
| C08 | C02 | C03 | C04 | 0.4° | 0.3° |
| C08 | C02 | C03 | H031 | 179.5° | 179.8° |
| C02 | C08 | C09 | H091 | 152.7° | 90.8° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C05 | C04 | C03 | H041 | 180.0° | 180.0° |
| C05 | C04 | C03 | H031 | 179.6° | 180.0° |
| F01 | C02 | C03 | C04 | 179.6° | 180.0° |
| F01 | C02 | C03 | H031 | 0.4° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | H041 | 179.6° | 179.9° |
| C03 | C04 | C05 | H051 | 180.0° | 179.9° |
| H151 | C15 | C14 | H141 | 0.5° | 0.0° |
| H151 | C15 | C16 | H161 | 0.7° | 0.1° |
| H171 | C17 | C16 | H161 | 0.9° | 0.1° |
| H031 | C03 | C04 | H041 | 0.4° | 0.0° |
| H041 | C04 | C05 | H051 | 0.0° | 0.1° |
| H091 | C09 | N10 | H101 | 89.9° | 29.2° |
| H091 | C09 | N19 | H191 | 163.1° | 15.5° |
