AP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.49Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN2 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | doub | 1.47Å | 1.44Å | Aromatic |
| C1 | C1A | sing | 1.31Å | 1.44Å | Aromatic |
| C2 | C3 | sing | 1.32Å | 1.51Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.00Å | |
| C3 | C3A | doub | 1.47Å | 1.47Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.00Å | |
| C3A | C4 | sing | 1.31Å | 1.45Å | Aromatic |
| C3A | C11 | sing | 1.48Å | 1.46Å | Aromatic |
| C4 | C5 | doub | 1.48Å | 1.48Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.00Å | |
| C5 | C5A | sing | 1.31Å | 1.45Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.00Å | |
| C5A | C6 | doub | 1.47Å | 1.46Å | Aromatic |
| C5A | C12 | sing | 1.47Å | 1.45Å | Aromatic |
| C6 | C7 | sing | 1.31Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.00Å | |
| C7 | C8 | doub | 1.47Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.00Å | |
| C8 | C8A | sing | 1.31Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.00Å | |
| C8A | C9 | doub | 1.47Å | 1.42Å | Aromatic |
| C8A | C12 | sing | 1.47Å | 1.45Å | Aromatic |
| C9 | C10 | sing | 1.32Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.00Å | |
| C10 | C1A | doub | 1.47Å | 1.45Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.00Å | |
| C1A | C11 | sing | 1.47Å | 1.45Å | Aromatic |
| C11 | C12 | doub | 1.30Å | 1.46Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | HN1 | 117.8° | 120.0° |
| C1 | N1 | HN2 | 108.1° | 120.0° |
| N1 | C1 | C2 | 121.0° | 118.9° |
| N1 | C1 | C1A | 118.2° | 119.0° |
| HN1 | N1 | HN2 | 132.0° | 120.0° |
| C2 | C1 | C1A | 120.8° | 122.0° |
| C1 | C2 | C3 | 119.4° | 122.8° |
| C1 | C2 | H2 | 112.7° | 118.6° |
| C1 | C1A | C10 | 119.7° | 121.8° |
| C1 | C1A | C11 | 120.6° | 119.1° |
| C3 | C2 | H2 | 127.9° | 118.6° |
| C2 | C3 | C3A | 118.8° | 119.4° |
| C2 | C3 | H3 | 125.5° | 120.4° |
| C3A | C3 | H3 | 115.7° | 120.3° |
| C3 | C3A | C4 | 121.4° | 122.6° |
| C3 | C3A | C11 | 119.8° | 117.6° |
| C4 | C3A | C11 | 118.8° | 119.7° |
| C3A | C4 | C5 | 120.5° | 120.0° |
| C3A | C4 | H4 | 117.2° | 120.0° |
| C3A | C11 | C1A | 120.6° | 119.1° |
| C3A | C11 | C12 | 120.5° | 120.2° |
| C5 | C4 | H4 | 122.2° | 120.0° |
| C4 | C5 | C5A | 119.9° | 120.0° |
| C4 | C5 | H5 | 122.3° | 120.0° |
| C5A | C5 | H5 | 117.8° | 120.0° |
| C5 | C5A | C6 | 122.5° | 122.6° |
| C5 | C5A | C12 | 119.1° | 119.7° |
| C6 | C5A | C12 | 118.4° | 117.7° |
| C5A | C6 | C7 | 121.2° | 119.3° |
| C5A | C6 | H6 | 123.6° | 120.4° |
| C5A | C12 | C8A | 119.3° | 119.2° |
| C5A | C12 | C11 | 121.1° | 120.3° |
| C7 | C6 | H6 | 115.2° | 120.3° |
| C6 | C7 | C8 | 120.1° | 122.8° |
| C6 | C7 | H7 | 119.6° | 118.6° |
| C8 | C7 | H7 | 120.3° | 118.6° |
| C7 | C8 | C8A | 120.4° | 122.0° |
| C7 | C8 | H8 | 118.6° | 119.0° |
| C8A | C8 | H8 | 121.0° | 119.0° |
| C8 | C8A | C9 | 118.9° | 121.8° |
| C8 | C8A | C12 | 120.7° | 119.0° |
| C9 | C8A | C12 | 120.4° | 119.2° |
| C8A | C9 | C10 | 120.5° | 120.3° |
| C8A | C9 | H9 | 122.1° | 119.9° |
| C8A | C12 | C11 | 119.6° | 120.5° |
| C10 | C9 | H9 | 117.4° | 119.9° |
| C9 | C10 | C1A | 120.9° | 120.3° |
| C9 | C10 | H10 | 115.7° | 119.8° |
| C1A | C10 | H10 | 123.3° | 119.8° |
| C10 | C1A | C11 | 119.7° | 119.1° |
| C1A | C11 | C12 | 118.9° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | HN1 | HN2 | 161.1° | 179.7° |
| N1 | C1 | C2 | C1A | 179.3° | 179.8° |
| N1 | C1 | C2 | C3 | 178.9° | 180.0° |
| N1 | C1 | C2 | H2 | 0.9° | 0.0° |
| N1 | C1 | C1A | C10 | 0.8° | 0.4° |
| N1 | C1 | C1A | C11 | 179.0° | 179.8° |
| HN1 | N1 | C1 | C2 | 139.9° | 179.7° |
| HN1 | N1 | C1 | C1A | 40.8° | 0.5° |
| HN2 | N1 | C1 | C2 | 54.8° | 0.0° |
| HN2 | N1 | C1 | C1A | 124.5° | 179.8° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C1 | C2 | C3 | C3A | 0.4° | 0.0° |
| C1 | C2 | C3 | H3 | 179.4° | 179.9° |
| C2 | C1 | C1A | C10 | 178.5° | 179.8° |
| C2 | C1 | C1A | C11 | 0.3° | 0.4° |
| C1A | C1 | C2 | C3 | 0.4° | 0.2° |
| C1A | C1 | C2 | H2 | 179.9° | 179.8° |
| C1 | C1A | C11 | C3A | 0.2° | 0.4° |
| C1 | C1A | C10 | C9 | 179.5° | 179.8° |
| C1 | C1A | C10 | C11 | 178.2° | 179.4° |
| C1 | C1A | C10 | H10 | 2.7° | 0.4° |
| C1 | C1A | C11 | C12 | 179.5° | 179.8° |
| C2 | C3 | C3A | H3 | 179.1° | 179.9° |
| C2 | C3 | C3A | C4 | 179.3° | 180.0° |
| C2 | C3 | C3A | C11 | 0.3° | 0.0° |
| H2 | C2 | C3 | C3A | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.9° | 0.1° |
| C3 | C3A | C4 | C11 | 179.5° | 180.0° |
| C3 | C3A | C4 | C5 | 178.8° | 180.0° |
| C3 | C3A | C4 | H4 | 0.1° | 0.0° |
| C3 | C3A | C11 | C1A | 0.2° | 0.2° |
| C3 | C3A | C11 | C12 | 179.5° | 180.0° |
| H3 | C3 | C3A | C4 | 0.1° | 0.1° |
| H3 | C3 | C3A | C11 | 179.4° | 179.9° |
| C3A | C4 | C5 | H4 | 178.6° | 180.0° |
| C3A | C4 | C5 | C5A | 1.1° | 0.0° |
| C3A | C4 | C5 | H5 | 179.7° | 180.0° |
| C4 | C3A | C11 | C1A | 179.4° | 179.8° |
| C4 | C3A | C11 | C12 | 1.0° | 0.0° |
| C11 | C3A | C4 | C5 | 1.7° | 0.0° |
| C11 | C3A | C4 | H4 | 179.7° | 180.0° |
| C3A | C11 | C12 | C5A | 0.2° | 0.0° |
| C3A | C11 | C12 | C8A | 178.9° | 180.0° |
| C3A | C11 | C1A | C10 | 178.4° | 179.8° |
| C3A | C11 | C1A | C12 | 179.6° | 179.8° |
| C4 | C5 | C5A | H5 | 178.7° | 180.0° |
| C4 | C5 | C5A | C6 | 179.9° | 180.0° |
| C4 | C5 | C5A | C12 | 0.1° | 0.0° |
| H4 | C4 | C5 | C5A | 179.7° | 180.0° |
| H4 | C4 | C5 | H5 | 1.7° | 0.0° |
| C5 | C5A | C6 | C12 | 179.9° | 180.0° |
| C5 | C5A | C6 | C7 | 179.9° | 180.0° |
| C5 | C5A | C6 | H6 | 0.7° | 0.0° |
| C5 | C5A | C12 | C8A | 179.4° | 180.0° |
| C5 | C5A | C12 | C11 | 0.7° | 0.0° |
| H5 | C5 | C5A | C6 | 1.5° | 0.0° |
| H5 | C5 | C5A | C12 | 178.6° | 180.0° |
| C5A | C6 | C7 | H6 | 179.3° | 180.0° |
| C5A | C6 | C7 | C8 | 0.1° | 0.0° |
| C5A | C6 | C7 | H7 | 179.7° | 180.0° |
| C6 | C5A | C12 | C8A | 0.5° | 0.0° |
| C6 | C5A | C12 | C11 | 179.2° | 180.0° |
| C12 | C5A | C6 | C7 | 0.1° | 0.0° |
| C12 | C5A | C6 | H6 | 179.4° | 180.0° |
| C5A | C12 | C8A | C8 | 1.3° | 0.0° |
| C5A | C12 | C8A | C9 | 179.9° | 180.0° |
| C5A | C12 | C8A | C11 | 178.7° | 180.0° |
| C5A | C12 | C11 | C1A | 179.4° | 179.8° |
| C6 | C7 | C8 | H7 | 179.8° | 180.0° |
| C6 | C7 | C8 | C8A | 0.7° | 0.0° |
| C6 | C7 | C8 | H8 | 177.4° | 180.0° |
| H6 | C6 | C7 | C8 | 179.4° | 180.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.0° |
| C7 | C8 | C8A | H8 | 176.6° | 180.0° |
| C7 | C8 | C8A | C9 | 179.8° | 180.0° |
| C7 | C8 | C8A | C12 | 1.4° | 0.0° |
| H7 | C7 | C8 | C8A | 179.5° | 180.0° |
| H7 | C7 | C8 | H8 | 2.8° | 0.0° |
| C8 | C8A | C9 | C12 | 178.8° | 180.0° |
| C8 | C8A | C9 | C10 | 178.9° | 179.9° |
| C8 | C8A | C9 | H9 | 0.4° | 0.0° |
| C8 | C8A | C12 | C11 | 180.0° | 180.0° |
| H8 | C8 | C8A | C9 | 3.2° | 0.0° |
| H8 | C8 | C8A | C12 | 178.0° | 180.0° |
| C8A | C9 | C10 | H9 | 179.4° | 179.9° |
| C8A | C9 | C10 | C1A | 2.8° | 0.3° |
| C8A | C9 | C10 | H10 | 179.8° | 179.9° |
| C9 | C8A | C12 | C11 | 1.2° | 0.0° |
| C12 | C8A | C9 | C10 | 2.3° | 0.1° |
| C12 | C8A | C9 | H9 | 178.4° | 180.0° |
| C8A | C12 | C11 | C1A | 0.7° | 0.2° |
| C9 | C10 | C1A | H10 | 176.8° | 179.8° |
| C9 | C10 | C1A | C11 | 2.3° | 0.5° |
| H9 | C9 | C10 | C1A | 177.8° | 179.8° |
| H9 | C9 | C10 | H10 | 0.8° | 0.0° |
| C10 | C1A | C11 | C12 | 1.3° | 0.4° |
| H10 | C10 | C1A | C11 | 179.1° | 179.8° |
