A1C24
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | N05 | sing | 1.36Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| N05 | C04 | sing | 1.35Å | 1.38Å | Aromatic |
| CL15 | C11 | sing | 1.74Å | 1.78Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.39Å | |
| C08 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C03 | sing | 1.47Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | F14 | sing | 1.35Å | 1.36Å | |
| C04 | C03 | doub | 1.37Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.47Å | 1.48Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C02 | N16 | sing | 1.35Å | 1.45Å | |
| CL27 | C26 | sing | 1.74Å | 1.78Å | |
| N16 | C17 | sing | 1.46Å | 1.45Å | |
| C28 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| N20 | C19 | sing | 1.35Å | 1.45Å | |
| C17 | C22 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | F29 | sing | 1.35Å | 1.36Å | |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | O21 | doub | 1.21Å | 1.19Å | |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N20 | H202 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C06 | C07 | 106.2° | 108.7° |
| C06 | N05 | C04 | 110.7° | 110.5° |
| N05 | C06 | H061 | 126.9° | 125.7° |
| C06 | N05 | H051 | 124.7° | 124.7° |
| C06 | C07 | C08 | 125.5° | 127.0° |
| C06 | C07 | C03 | 108.8° | 106.1° |
| C07 | C06 | H061 | 126.9° | 125.7° |
| C09 | C10 | C11 | 119.9° | 120.2° |
| C10 | C09 | C08 | 119.9° | 119.9° |
| C10 | C09 | H091 | 120.0° | 120.1° |
| C09 | C10 | H101 | 120.1° | 119.9° |
| C10 | C11 | CL15 | 119.6° | 119.8° |
| C10 | C11 | C12 | 120.3° | 120.3° |
| C11 | C10 | H101 | 120.1° | 119.9° |
| C09 | C08 | C07 | 120.0° | 120.1° |
| C09 | C08 | C13 | 120.1° | 119.7° |
| C08 | C09 | H091 | 120.0° | 120.0° |
| N05 | C04 | C03 | 106.7° | 108.7° |
| N05 | C04 | H041 | 126.6° | 125.7° |
| C04 | N05 | H051 | 124.7° | 124.7° |
| CL15 | C11 | C12 | 120.1° | 119.9° |
| C11 | C12 | C13 | 119.8° | 120.1° |
| C11 | C12 | H121 | 120.1° | 120.0° |
| C07 | C08 | C13 | 119.9° | 120.1° |
| C08 | C07 | C03 | 125.7° | 127.0° |
| C08 | C13 | C12 | 120.0° | 119.9° |
| C08 | C13 | F14 | 120.3° | 120.1° |
| C07 | C03 | C04 | 107.7° | 106.1° |
| C07 | C03 | C02 | 128.6° | 127.0° |
| C12 | C13 | F14 | 119.7° | 120.1° |
| C13 | C12 | H121 | 120.1° | 119.9° |
| C04 | C03 | C02 | 123.6° | 127.0° |
| C03 | C04 | H041 | 126.7° | 125.7° |
| C03 | C02 | O01 | 120.8° | 120.0° |
| C03 | C02 | N16 | 118.7° | 120.0° |
| O01 | C02 | N16 | 120.5° | 120.0° |
| C02 | N16 | C17 | 120.4° | 120.0° |
| C02 | N16 | H161 | 119.8° | 120.0° |
| CL27 | C26 | C28 | 118.8° | 120.0° |
| CL27 | C26 | C25 | 120.8° | 120.0° |
| N16 | C17 | C22 | 109.2° | 109.5° |
| N16 | C17 | C18 | 109.2° | 109.5° |
| N16 | C17 | H171 | 110.6° | 109.5° |
| C17 | N16 | H161 | 119.8° | 120.0° |
| C26 | C28 | C22 | 119.5° | 120.0° |
| C28 | C26 | C25 | 120.4° | 120.0° |
| C26 | C28 | H281 | 120.2° | 120.0° |
| C28 | C22 | C17 | 119.4° | 120.0° |
| C28 | C22 | C23 | 120.5° | 120.1° |
| C22 | C28 | H281 | 120.3° | 120.0° |
| C26 | C25 | F29 | 120.5° | 120.1° |
| C26 | C25 | C24 | 119.9° | 119.9° |
| N20 | C19 | C18 | 120.0° | 120.0° |
| N20 | C19 | O21 | 119.9° | 120.0° |
| C19 | N20 | H202 | 120.0° | 120.0° |
| C19 | N20 | H201 | 120.0° | 120.0° |
| C22 | C17 | C18 | 109.0° | 109.5° |
| C17 | C22 | C23 | 120.1° | 119.9° |
| C22 | C17 | H171 | 109.5° | 109.5° |
| C17 | C18 | C19 | 111.9° | 109.5° |
| C17 | C18 | H182 | 108.9° | 109.5° |
| C17 | C18 | H181 | 108.9° | 109.5° |
| C18 | C17 | H171 | 109.4° | 109.5° |
| C22 | C23 | C24 | 119.9° | 120.0° |
| C22 | C23 | H231 | 120.1° | 120.0° |
| F29 | C25 | C24 | 119.6° | 120.0° |
| C25 | C24 | C23 | 119.8° | 120.0° |
| C25 | C24 | H241 | 120.1° | 120.0° |
| C18 | C19 | O21 | 120.1° | 120.0° |
| C19 | C18 | H182 | 108.9° | 109.5° |
| C19 | C18 | H181 | 108.9° | 109.4° |
| C24 | C23 | H231 | 120.1° | 119.9° |
| C23 | C24 | H241 | 120.1° | 120.0° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H202 | N20 | H201 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | N05 | C04 | H051 | 180.0° | 179.9° |
| N05 | C06 | C07 | C08 | 180.0° | 180.0° |
| N05 | C06 | C07 | C03 | 0.5° | 0.1° |
| C06 | N05 | C04 | C03 | 1.1° | 0.1° |
| C06 | N05 | C04 | H041 | 178.9° | 179.8° |
| C06 | C07 | C08 | C09 | 64.8° | 64.4° |
| C07 | C06 | N05 | C04 | 0.4° | 0.0° |
| C06 | C07 | C08 | C03 | 179.4° | 179.9° |
| C06 | C07 | C08 | C13 | 114.0° | 115.1° |
| C06 | C07 | C03 | C04 | 1.1° | 0.2° |
| C06 | C07 | C03 | C02 | 179.0° | 180.0° |
| C07 | C06 | N05 | H051 | 179.6° | 179.9° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C09 | C10 | C11 | CL15 | 179.6° | 180.0° |
| C09 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C09 | C08 | C07 | 179.3° | 180.0° |
| C10 | C09 | C08 | C13 | 0.5° | 0.5° |
| C11 | C10 | C09 | C08 | 0.2° | 0.2° |
| C10 | C11 | CL15 | C12 | 179.7° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H121 | 180.0° | 179.7° |
| C11 | C10 | C09 | H091 | 179.8° | 179.8° |
| C09 | C08 | C07 | C13 | 178.8° | 179.5° |
| C09 | C08 | C07 | C03 | 114.7° | 115.7° |
| C09 | C08 | C13 | C12 | 0.6° | 0.5° |
| C09 | C08 | C13 | F14 | 179.5° | 179.5° |
| C08 | C09 | C10 | H101 | 179.8° | 179.7° |
| N05 | C04 | C03 | C07 | 1.3° | 0.2° |
| N05 | C04 | C03 | H041 | 180.0° | 180.0° |
| N05 | C04 | C03 | C02 | 179.3° | 180.0° |
| C04 | N05 | C06 | H061 | 179.6° | 180.0° |
| CL15 | C11 | C12 | C13 | 179.7° | 180.0° |
| CL15 | C11 | C12 | H121 | 0.3° | 0.2° |
| CL15 | C11 | C10 | H101 | 0.3° | 0.1° |
| C11 | C12 | C13 | C08 | 0.4° | 0.3° |
| C11 | C12 | C13 | H121 | 180.0° | 179.7° |
| C11 | C12 | C13 | F14 | 179.8° | 179.7° |
| C12 | C11 | C10 | H101 | 180.0° | 180.0° |
| C07 | C08 | C13 | C12 | 179.4° | 180.0° |
| C07 | C08 | C13 | F14 | 0.7° | 0.0° |
| C08 | C07 | C03 | C04 | 179.3° | 179.9° |
| C08 | C07 | C03 | C02 | 1.4° | 0.1° |
| C08 | C07 | C06 | H061 | 0.0° | 0.1° |
| C07 | C08 | C09 | H091 | 0.7° | 0.0° |
| C13 | C08 | C07 | C03 | 66.5° | 64.8° |
| C08 | C13 | C12 | F14 | 179.9° | 180.0° |
| C08 | C13 | C12 | H121 | 179.6° | 180.0° |
| C13 | C08 | C09 | H091 | 179.5° | 179.5° |
| C07 | C03 | C04 | C02 | 178.0° | 179.8° |
| C07 | C03 | C02 | O01 | 18.6° | 0.3° |
| C07 | C03 | C02 | N16 | 161.4° | 179.7° |
| C07 | C03 | C04 | H041 | 178.6° | 179.8° |
| C03 | C07 | C06 | H061 | 179.6° | 179.8° |
| F14 | C13 | C12 | H121 | 0.2° | 0.0° |
| C04 | C03 | C02 | O01 | 159.0° | 180.0° |
| C04 | C03 | C02 | N16 | 21.1° | 0.0° |
| C03 | C04 | N05 | H051 | 178.9° | 179.8° |
| C03 | C02 | O01 | N16 | 179.9° | 180.0° |
| C03 | C02 | N16 | C17 | 179.8° | 175.1° |
| C02 | C03 | C04 | H041 | 0.6° | 0.0° |
| C03 | C02 | N16 | H161 | 0.2° | 4.9° |
| O01 | C02 | N16 | C17 | 0.3° | 4.9° |
| O01 | C02 | N16 | H161 | 179.7° | 175.1° |
| C02 | N16 | C17 | H161 | 180.0° | 180.0° |
| C02 | N16 | C17 | C22 | 119.8° | 81.2° |
| C02 | N16 | C17 | C18 | 121.1° | 158.8° |
| C02 | N16 | C17 | H171 | 0.7° | 38.7° |
| CL27 | C26 | C28 | C25 | 179.9° | 179.7° |
| CL27 | C26 | C28 | C22 | 179.9° | 179.7° |
| CL27 | C26 | C25 | F29 | 0.1° | 0.0° |
| CL27 | C26 | C25 | C24 | 179.9° | 179.9° |
| CL27 | C26 | C28 | H281 | 0.1° | 0.3° |
| N16 | C17 | C22 | C28 | 21.2° | 40.3° |
| N16 | C17 | C22 | C18 | 119.2° | 120.0° |
| N16 | C17 | C22 | H171 | 121.2° | 120.0° |
| N16 | C17 | C18 | H171 | 121.1° | 120.0° |
| N16 | C17 | C22 | C23 | 159.3° | 140.0° |
| N16 | C17 | C18 | C19 | 71.8° | 65.6° |
| N16 | C17 | C18 | H182 | 48.5° | 174.4° |
| N16 | C17 | C18 | H181 | 167.8° | 54.4° |
| C26 | C28 | C22 | H281 | 180.0° | 179.4° |
| C26 | C28 | C22 | C17 | 179.7° | 179.7° |
| C26 | C28 | C22 | C23 | 0.2° | 0.6° |
| C28 | C26 | C25 | F29 | 179.9° | 179.8° |
| C28 | C26 | C25 | C24 | 0.2° | 0.3° |
| C22 | C28 | C26 | C25 | 0.2° | 0.6° |
| C28 | C22 | C17 | C23 | 179.5° | 179.7° |
| C28 | C22 | C17 | C18 | 98.0° | 79.7° |
| C28 | C22 | C23 | C24 | 0.3° | 0.3° |
| C28 | C22 | C17 | H171 | 142.3° | 160.3° |
| C28 | C22 | C23 | H231 | 179.7° | 179.7° |
| C26 | C25 | F29 | C24 | 179.8° | 179.9° |
| C26 | C25 | C24 | C23 | 0.3° | 0.0° |
| C26 | C25 | C24 | H241 | 179.7° | 180.0° |
| C25 | C26 | C28 | H281 | 179.8° | 180.0° |
| N20 | C19 | C18 | C17 | 81.5° | 174.5° |
| N20 | C19 | C18 | O21 | 179.4° | 179.9° |
| N20 | C19 | C18 | H182 | 38.9° | 65.5° |
| N20 | C19 | C18 | H181 | 158.2° | 54.5° |
| C19 | N20 | H202 | H201 | 180.0° | 179.9° |
| C22 | C17 | C18 | H171 | 119.7° | 120.0° |
| C22 | C17 | C18 | C19 | 169.0° | 174.4° |
| C17 | C22 | C23 | C24 | 179.8° | 180.0° |
| C22 | C17 | C18 | H182 | 70.7° | 54.4° |
| C22 | C17 | C18 | H181 | 48.6° | 65.6° |
| C17 | C22 | C23 | H231 | 0.2° | 0.0° |
| C17 | C22 | C28 | H281 | 0.3° | 0.3° |
| C22 | C17 | N16 | H161 | 60.2° | 98.8° |
| C18 | C17 | C22 | C23 | 81.5° | 100.0° |
| C17 | C18 | C19 | H182 | 120.4° | 120.0° |
| C17 | C18 | C19 | H181 | 120.4° | 120.0° |
| C17 | C18 | C19 | O21 | 99.2° | 5.6° |
| C17 | C18 | H182 | H181 | 118.9° | 120.1° |
| C18 | C17 | N16 | H161 | 58.9° | 21.3° |
| C22 | C23 | C24 | C25 | 0.4° | 0.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C23 | C22 | C17 | H171 | 38.2° | 20.0° |
| C22 | C23 | C24 | H241 | 179.6° | 180.0° |
| C23 | C22 | C28 | H281 | 179.8° | 180.0° |
| F29 | C25 | C24 | C23 | 179.8° | 180.0° |
| F29 | C25 | C24 | H241 | 0.2° | 0.1° |
| C25 | C24 | C23 | H241 | 180.0° | 180.0° |
| C25 | C24 | C23 | H231 | 179.6° | 180.0° |
| C19 | C18 | H182 | H181 | 118.9° | 120.0° |
| C19 | C18 | C17 | H171 | 49.3° | 54.4° |
| C18 | C19 | N20 | H202 | 179.4° | 180.0° |
| C18 | C19 | N20 | H201 | 0.6° | 0.1° |
| O21 | C19 | C18 | H182 | 140.4° | 114.4° |
| O21 | C19 | C18 | H181 | 21.2° | 125.6° |
| O21 | C19 | N20 | H202 | 0.0° | 0.1° |
| O21 | C19 | N20 | H201 | 180.0° | 180.0° |
| H182 | C18 | C17 | H171 | 169.6° | 65.6° |
| H181 | C18 | C17 | H171 | 71.1° | 174.4° |
| H171 | C17 | N16 | H161 | 179.3° | 141.3° |
| H231 | C23 | C24 | H241 | 0.4° | 0.0° |
| H041 | C04 | N05 | H051 | 1.1° | 0.3° |
| H061 | C06 | N05 | H051 | 0.4° | 0.1° |
| H091 | C09 | C10 | H101 | 0.2° | 0.3° |






