A1ABF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | trip | 1.14Å | 1.16Å | |
| C02 | C03 | sing | 1.43Å | 1.42Å | |
| C15 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| N13 | C08 | doub | 1.32Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | O07 | sing | 1.36Å | 1.40Å | |
| C09 | C08 | sing | 1.39Å | 1.43Å | Aromatic |
| C08 | O07 | sing | 1.36Å | 1.40Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 178.4° | 180.0° |
| C02 | C03 | C15 | 120.2° | 120.1° |
| C02 | C03 | C04 | 120.6° | 120.1° |
| C03 | C15 | C14 | 119.8° | 119.9° |
| C15 | C03 | C04 | 119.1° | 119.8° |
| C03 | C15 | H151 | 120.1° | 120.0° |
| C15 | C14 | C06 | 121.3° | 120.1° |
| C14 | C15 | H151 | 120.1° | 120.0° |
| C15 | C14 | H141 | 119.4° | 119.9° |
| C03 | C04 | C05 | 121.7° | 119.9° |
| C03 | C04 | H041 | 119.2° | 120.0° |
| C14 | C06 | C05 | 119.1° | 120.2° |
| C14 | C06 | O07 | 121.9° | 120.0° |
| C06 | C14 | H141 | 119.3° | 119.9° |
| C12 | C11 | C10 | 117.9° | 119.3° |
| C11 | C12 | N13 | 123.1° | 120.9° |
| C12 | C11 | H111 | 121.0° | 120.4° |
| C11 | C12 | H121 | 118.5° | 119.6° |
| C11 | C10 | C09 | 121.1° | 118.5° |
| C11 | C10 | H101 | 119.4° | 120.8° |
| C10 | C11 | H111 | 121.1° | 120.3° |
| C12 | N13 | C08 | 117.5° | 121.7° |
| N13 | C12 | H121 | 118.4° | 119.6° |
| C10 | C09 | C08 | 117.7° | 119.1° |
| C09 | C10 | H101 | 119.5° | 120.7° |
| C10 | C09 | H091 | 121.2° | 120.4° |
| C04 | C05 | C06 | 119.0° | 120.1° |
| C05 | C04 | H041 | 119.1° | 120.1° |
| C04 | C05 | H051 | 120.5° | 119.9° |
| N13 | C08 | C09 | 122.7° | 120.6° |
| N13 | C08 | O07 | 120.9° | 119.7° |
| C05 | C06 | O07 | 119.1° | 119.9° |
| C06 | C05 | H051 | 120.5° | 120.0° |
| C06 | O07 | C08 | 125.7° | 118.0° |
| C09 | C08 | O07 | 116.4° | 119.6° |
| C08 | C09 | H091 | 121.2° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C15 | 33.0° | 96.8° |
| N01 | C02 | C03 | C04 | 146.4° | 83.1° |
| C02 | C03 | C15 | C04 | 179.4° | 180.0° |
| C02 | C03 | C15 | C14 | 179.9° | 180.0° |
| C02 | C03 | C04 | C05 | 179.9° | 180.0° |
| C02 | C03 | C15 | H151 | 0.1° | 0.2° |
| C02 | C03 | C04 | H041 | 0.1° | 0.1° |
| C03 | C15 | C14 | H151 | 180.0° | 179.7° |
| C03 | C15 | C14 | C06 | 0.2° | 0.0° |
| C15 | C03 | C04 | C05 | 0.6° | 0.0° |
| C15 | C03 | C04 | H041 | 179.4° | 180.0° |
| C03 | C15 | C14 | H141 | 179.8° | 180.0° |
| C14 | C15 | C03 | C04 | 0.7° | 0.0° |
| C15 | C14 | C06 | H141 | 180.0° | 180.0° |
| C15 | C14 | C06 | C05 | 0.4° | 0.0° |
| C15 | C14 | C06 | O07 | 179.7° | 179.9° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C04 | C03 | C15 | H151 | 179.3° | 179.7° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C14 | C06 | C05 | C04 | 0.5° | 0.0° |
| C14 | C06 | C05 | O07 | 179.3° | 180.0° |
| C14 | C06 | O07 | C08 | 5.6° | 110.2° |
| C06 | C14 | C15 | H151 | 179.8° | 179.7° |
| C14 | C06 | C05 | H051 | 179.5° | 180.0° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C11 | C12 | N13 | H121 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.7° | 0.0° |
| C11 | C12 | N13 | C08 | 0.0° | 0.4° |
| C12 | C11 | C10 | H101 | 179.3° | 179.7° |
| C10 | C11 | C12 | N13 | 0.7° | 0.0° |
| C11 | C10 | C09 | H101 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 0.1° | 0.3° |
| C11 | C10 | C09 | H091 | 179.9° | 179.8° |
| C10 | C11 | C12 | H121 | 179.3° | 180.0° |
| C12 | N13 | C08 | C09 | 0.7° | 0.7° |
| C12 | N13 | C08 | O07 | 179.1° | 180.0° |
| N13 | C12 | C11 | H111 | 179.3° | 180.0° |
| C10 | C09 | C08 | N13 | 0.7° | 0.6° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C10 | C09 | C08 | O07 | 179.1° | 180.0° |
| C09 | C10 | C11 | H111 | 179.2° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | O07 | 179.8° | 180.0° |
| N13 | C08 | O07 | C06 | 53.8° | 6.4° |
| N13 | C08 | C09 | O07 | 178.5° | 179.4° |
| N13 | C08 | C09 | H091 | 179.3° | 179.4° |
| C08 | N13 | C12 | H121 | 180.0° | 179.6° |
| C05 | C06 | O07 | C08 | 175.1° | 69.9° |
| C06 | C05 | C04 | H041 | 180.0° | 180.0° |
| C05 | C06 | C14 | H141 | 179.6° | 180.0° |
| C06 | O07 | C08 | C09 | 127.7° | 174.2° |
| O07 | C06 | C05 | H051 | 0.2° | 0.1° |
| O07 | C06 | C14 | H141 | 0.3° | 0.0° |
| C08 | C09 | C10 | H101 | 179.9° | 180.0° |
| O07 | C08 | C09 | H091 | 0.9° | 0.1° |
| H101 | C10 | C09 | H091 | 0.1° | 0.1° |
| H101 | C10 | C11 | H111 | 0.8° | 0.3° |
| H151 | C15 | C14 | H141 | 0.2° | 0.3° |
| H041 | C04 | C05 | H051 | 0.0° | 0.1° |
| H111 | C11 | C12 | H121 | 0.7° | 0.0° |
