A1CP1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C04 | doub | 1.30Å | 1.33Å | |
| N03 | N02 | sing | 1.40Å | 1.38Å | |
| C04 | C05 | sing | 1.41Å | 1.41Å | |
| C01 | N02 | sing | 1.46Å | 1.45Å | |
| N02 | C15 | sing | 1.35Å | 1.33Å | |
| C05 | C14 | sing | 1.47Å | 1.46Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C06 | sing | 1.42Å | 1.42Å | |
| C15 | O16 | doub | 1.22Å | 1.19Å | |
| C14 | C08 | sing | 1.41Å | 1.38Å | Aromatic |
| C06 | N07 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | N07 | sing | 1.38Å | 1.36Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | BR11 | sing | 1.89Å | 1.93Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N07 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | N03 | N02 | 120.4° | 121.3° |
| N03 | C04 | C05 | 120.3° | 120.3° |
| N03 | C04 | H5 | 119.8° | 119.9° |
| N03 | N02 | C01 | 119.0° | 119.6° |
| N03 | N02 | C15 | 121.6° | 120.9° |
| C04 | C05 | C14 | 134.1° | 133.8° |
| C04 | C05 | C06 | 119.6° | 119.6° |
| C05 | C04 | H5 | 119.9° | 119.8° |
| C01 | N02 | C15 | 119.4° | 119.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.4° | 109.5° |
| N02 | C01 | H4 | 109.4° | 109.5° |
| N02 | C15 | C06 | 120.0° | 119.3° |
| N02 | C15 | O16 | 120.0° | 120.4° |
| C14 | C05 | C06 | 106.3° | 106.5° |
| C05 | C14 | C13 | 133.9° | 133.6° |
| C05 | C14 | C08 | 106.4° | 106.3° |
| C05 | C06 | C15 | 118.0° | 118.6° |
| C05 | C06 | N07 | 108.5° | 108.6° |
| C14 | C13 | C12 | 120.4° | 119.7° |
| C13 | C14 | C08 | 119.7° | 120.0° |
| C14 | C13 | H1 | 119.8° | 120.2° |
| C13 | C12 | C10 | 119.5° | 120.3° |
| C12 | C13 | H1 | 119.8° | 120.1° |
| C13 | C12 | H7 | 120.3° | 119.9° |
| C06 | C15 | O16 | 120.0° | 120.3° |
| C15 | C06 | N07 | 133.5° | 132.8° |
| C14 | C08 | N07 | 108.2° | 108.2° |
| C14 | C08 | C09 | 120.1° | 119.3° |
| C06 | N07 | C08 | 110.5° | 110.3° |
| C06 | N07 | H8 | 124.7° | 124.8° |
| C12 | C10 | C09 | 120.7° | 120.6° |
| C12 | C10 | BR11 | 119.8° | 119.7° |
| C10 | C12 | H7 | 120.2° | 119.8° |
| N07 | C08 | C09 | 131.7° | 132.5° |
| C08 | N07 | H8 | 124.7° | 124.9° |
| C08 | C09 | C10 | 119.6° | 120.0° |
| C08 | C09 | H6 | 120.2° | 120.0° |
| C09 | C10 | BR11 | 119.5° | 119.7° |
| C10 | C09 | H6 | 120.2° | 120.0° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C04 | N03 | N02 | C01 | 179.9° | 179.4° |
| C04 | N03 | N02 | C15 | 0.1° | 1.2° |
| N03 | C04 | C05 | C14 | 179.9° | 180.0° |
| N03 | C04 | C05 | C06 | 0.1° | 0.6° |
| N02 | N03 | C04 | C05 | 0.2° | 1.2° |
| N03 | N02 | C01 | C15 | 180.0° | 179.4° |
| N03 | N02 | C15 | C06 | 0.0° | 0.6° |
| N03 | N02 | C15 | O16 | 180.0° | 179.5° |
| N03 | N02 | C01 | H2 | 0.0° | 89.4° |
| N03 | N02 | C01 | H3 | 120.0° | 30.6° |
| N03 | N02 | C01 | H4 | 120.0° | 150.5° |
| N02 | N03 | C04 | H5 | 179.8° | 178.8° |
| C04 | C05 | C14 | C06 | 180.0° | 179.4° |
| C04 | C05 | C14 | C13 | 0.1° | 0.0° |
| C04 | C05 | C06 | C15 | 0.0° | 0.0° |
| C04 | C05 | C14 | C08 | 179.9° | 179.8° |
| C04 | C05 | C06 | N07 | 179.9° | 179.9° |
| C01 | N02 | C15 | C06 | 180.0° | 180.0° |
| C01 | N02 | C15 | O16 | 0.0° | 0.1° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H4 | 120.0° | 120.1° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| N02 | C15 | C06 | C05 | 0.1° | 0.0° |
| N02 | C15 | C06 | O16 | 179.9° | 179.9° |
| N02 | C15 | C06 | N07 | 180.0° | 179.8° |
| C15 | N02 | C01 | H2 | 180.0° | 90.0° |
| C15 | N02 | C01 | H3 | 60.0° | 150.0° |
| C15 | N02 | C01 | H4 | 60.0° | 30.1° |
| C05 | C14 | C13 | C08 | 180.0° | 179.8° |
| C05 | C14 | C13 | C12 | 179.9° | 180.0° |
| C14 | C05 | C06 | C15 | 180.0° | 179.5° |
| C14 | C05 | C06 | N07 | 0.0° | 0.6° |
| C05 | C14 | C08 | N07 | 0.1° | 0.0° |
| C05 | C14 | C08 | C09 | 180.0° | 179.7° |
| C05 | C14 | C13 | H1 | 0.1° | 0.2° |
| C14 | C05 | C04 | H5 | 0.1° | 0.0° |
| C06 | C05 | C14 | C13 | 179.9° | 179.5° |
| C05 | C06 | C15 | N07 | 179.9° | 179.8° |
| C05 | C06 | C15 | O16 | 180.0° | 179.9° |
| C06 | C05 | C14 | C08 | 0.1° | 0.4° |
| C05 | C06 | N07 | C08 | 0.0° | 0.7° |
| C06 | C05 | C04 | H5 | 179.9° | 179.4° |
| C05 | C06 | N07 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C10 | 0.0° | 0.0° |
| C13 | C14 | C08 | N07 | 179.9° | 179.9° |
| C13 | C14 | C08 | C09 | 0.0° | 0.5° |
| C14 | C13 | C12 | H7 | 180.0° | 179.9° |
| C12 | C13 | C14 | C08 | 0.0° | 0.2° |
| C13 | C12 | C10 | H7 | 180.0° | 179.9° |
| C13 | C12 | C10 | C09 | 0.0° | 0.0° |
| C13 | C12 | C10 | BR11 | 179.9° | 179.7° |
| C15 | C06 | N07 | C08 | 179.9° | 179.5° |
| C15 | C06 | N07 | H8 | 0.1° | 0.1° |
| O16 | C15 | C06 | N07 | 0.1° | 0.2° |
| C14 | C08 | N07 | C06 | 0.0° | 0.4° |
| C14 | C08 | N07 | C09 | 180.0° | 179.6° |
| C14 | C08 | C09 | C10 | 0.0° | 0.5° |
| C08 | C14 | C13 | H1 | 180.0° | 180.0° |
| C14 | C08 | C09 | H6 | 180.0° | 179.6° |
| C14 | C08 | N07 | H8 | 180.0° | 179.8° |
| C06 | N07 | C08 | H8 | 180.0° | 179.4° |
| C06 | N07 | C08 | C09 | 180.0° | 180.0° |
| C12 | C10 | C09 | C08 | 0.0° | 0.2° |
| C12 | C10 | C09 | BR11 | 179.9° | 179.7° |
| C10 | C12 | C13 | H1 | 180.0° | 179.7° |
| C12 | C10 | C09 | H6 | 180.0° | 179.8° |
| N07 | C08 | C09 | C10 | 180.0° | 180.0° |
| N07 | C08 | C09 | H6 | 0.0° | 0.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | BR11 | 179.9° | 180.0° |
| C09 | C08 | N07 | H8 | 0.0° | 0.7° |
| C09 | C10 | C12 | H7 | 180.0° | 179.9° |
| BR11 | C10 | C09 | H6 | 0.1° | 0.1° |
| BR11 | C10 | C12 | H7 | 0.0° | 0.2° |
| H1 | C13 | C12 | H7 | 0.1° | 0.2° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
