A1CHA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CZ | CE2 | doub | 1.38Å | 0.00Å | Aromatic |
| CZ | CE1 | sing | 1.38Å | 0.00Å | Aromatic |
| CE2 | CD2 | sing | 1.38Å | 0.00Å | Aromatic |
| C1 | CE1 | sing | 1.51Å | 0.00Å | |
| C1 | N1 | sing | 1.47Å | 0.00Å | |
| CE1 | CD1 | doub | 1.38Å | 0.00Å | Aromatic |
| CD2 | CG | doub | 1.38Å | 0.00Å | Aromatic |
| CD1 | CG | sing | 1.38Å | 0.00Å | Aromatic |
| CG | CB | sing | 1.51Å | 0.00Å | |
| O | C | doub | 1.21Å | 0.00Å | |
| N | CA | sing | 1.47Å | 0.00Å | |
| C | CA | sing | 1.51Å | 0.00Å | |
| CB | CA | sing | 1.53Å | 0.00Å | |
| C | OXT | sing | 1.34Å | 0.00Å | |
| N1 | H1 | sing | 1.01Å | 0.00Å | |
| N1 | H4 | sing | 1.01Å | 0.00Å | |
| N | H | sing | 1.01Å | 0.00Å | |
| N | H2 | sing | 1.01Å | 0.00Å | |
| C1 | H7 | sing | 1.09Å | 0.00Å | |
| C1 | H8 | sing | 1.09Å | 0.00Å | |
| CA | HA | sing | 1.09Å | 0.00Å | |
| CB | HB2 | sing | 1.09Å | 0.00Å | |
| CB | HB3 | sing | 1.09Å | 0.00Å | |
| CZ | HZ | sing | 1.08Å | 0.00Å | |
| CD1 | HD1 | sing | 1.08Å | 0.00Å | |
| CD2 | HD2 | sing | 1.08Å | 0.00Å | |
| CE2 | HE2 | sing | 1.08Å | 0.00Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE2 | CZ | CE1 | 90.0° | 120.0° |
| CZ | CE2 | CD2 | 90.0° | 120.0° |
| CE2 | CZ | HZ | 90.0° | 120.0° |
| CZ | CE2 | HE2 | 90.0° | 120.0° |
| CZ | CE1 | C1 | 90.0° | 120.0° |
| CZ | CE1 | CD1 | 90.0° | 120.0° |
| CE1 | CZ | HZ | 90.0° | 120.0° |
| CE2 | CD2 | CG | 90.0° | 120.1° |
| CE2 | CD2 | HD2 | 90.0° | 120.0° |
| CD2 | CE2 | HE2 | 90.0° | 120.0° |
| CE1 | C1 | N1 | 90.0° | 109.5° |
| C1 | CE1 | CD1 | 90.0° | 120.0° |
| CE1 | C1 | H7 | 90.0° | 109.5° |
| CE1 | C1 | H8 | 90.0° | 109.5° |
| C1 | N1 | H1 | 90.0° | 111.0° |
| C1 | N1 | H4 | 90.0° | 111.0° |
| N1 | C1 | H7 | 90.0° | 109.5° |
| N1 | C1 | H8 | 90.0° | 109.5° |
| CE1 | CD1 | CG | 90.0° | 120.0° |
| CE1 | CD1 | HD1 | 90.0° | 120.0° |
| CD2 | CG | CD1 | 90.0° | 119.9° |
| CD2 | CG | CB | 90.0° | 120.1° |
| CG | CD2 | HD2 | 90.0° | 119.9° |
| CD1 | CG | CB | 90.0° | 120.0° |
| CG | CD1 | HD1 | 90.0° | 119.9° |
| CG | CB | CA | 90.0° | 109.5° |
| CG | CB | HB2 | 90.0° | 109.5° |
| CG | CB | HB3 | 90.0° | 109.4° |
| O | C | CA | 90.0° | 120.0° |
| O | C | OXT | 90.0° | 120.0° |
| N | CA | C | 90.0° | 109.4° |
| N | CA | CB | 90.0° | 109.4° |
| CA | N | H | 90.0° | 111.0° |
| CA | N | H2 | 90.0° | 111.0° |
| N | CA | HA | 90.0° | 109.4° |
| C | CA | CB | 90.0° | 109.5° |
| CA | C | OXT | 90.0° | 120.0° |
| C | CA | HA | 90.0° | 109.5° |
| CB | CA | HA | 90.0° | 109.5° |
| CA | CB | HB2 | 90.0° | 109.5° |
| CA | CB | HB3 | 90.0° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
| H1 | N1 | H4 | 90.0° | 111.0° |
| H | N | H2 | 90.0° | 111.0° |
| H7 | C1 | H8 | 90.0° | 109.4° |
| HB2 | CB | HB3 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE2 | CZ | CE1 | HZ | 90.0° | 179.8° |
| CZ | CE2 | CD2 | HE2 | 90.0° | 179.7° |
| CE2 | CZ | CE1 | C1 | 90.0° | 179.7° |
| CE2 | CZ | CE1 | CD1 | 90.0° | 0.2° |
| CZ | CE2 | CD2 | CG | 90.0° | 0.0° |
| CZ | CE2 | CD2 | HD2 | 90.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 90.0° | 0.3° |
| CZ | CE1 | C1 | CD1 | 90.0° | 179.9° |
| CZ | CE1 | C1 | N1 | 90.0° | 90.0° |
| CZ | CE1 | CD1 | CG | 90.0° | 0.1° |
| CZ | CE1 | C1 | H7 | 90.0° | 30.0° |
| CZ | CE1 | C1 | H8 | 90.0° | 150.0° |
| CZ | CE1 | CD1 | HD1 | 90.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 90.0° | 180.0° |
| CE2 | CD2 | CG | HD2 | 90.0° | 180.0° |
| CE2 | CD2 | CG | CD1 | 90.0° | 0.3° |
| CE2 | CD2 | CG | CB | 90.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 90.0° | 180.0° |
| CE1 | C1 | N1 | H7 | 90.0° | 120.1° |
| CE1 | C1 | N1 | H8 | 90.0° | 120.1° |
| C1 | CE1 | CD1 | CG | 90.0° | 179.9° |
| CE1 | C1 | N1 | H1 | 90.0° | 56.0° |
| CE1 | C1 | N1 | H4 | 90.0° | 180.0° |
| CE1 | C1 | H7 | H8 | 90.0° | 120.0° |
| C1 | CE1 | CZ | HZ | 90.0° | 0.0° |
| C1 | CE1 | CD1 | HD1 | 90.0° | 0.0° |
| N1 | C1 | CE1 | CD1 | 90.0° | 90.0° |
| C1 | N1 | H1 | H4 | 90.0° | 124.0° |
| N1 | C1 | H7 | H8 | 90.0° | 119.9° |
| CE1 | CD1 | CG | CD2 | 90.0° | 0.4° |
| CE1 | CD1 | CG | HD1 | 90.0° | 179.9° |
| CE1 | CD1 | CG | CB | 90.0° | 179.9° |
| CD1 | CE1 | C1 | H7 | 90.0° | 149.9° |
| CD1 | CE1 | C1 | H8 | 90.0° | 30.0° |
| CD1 | CE1 | CZ | HZ | 90.0° | 180.0° |
| CD2 | CG | CD1 | CB | 90.0° | 179.7° |
| CD2 | CG | CB | CA | 90.0° | 90.2° |
| CD2 | CG | CB | HB2 | 90.0° | 149.7° |
| CD2 | CG | CB | HB3 | 90.0° | 29.7° |
| CD2 | CG | CD1 | HD1 | 90.0° | 179.7° |
| CG | CD2 | CE2 | HE2 | 90.0° | 179.7° |
| CD1 | CG | CB | CA | 90.0° | 90.1° |
| CD1 | CG | CB | HB2 | 90.0° | 30.0° |
| CD1 | CG | CB | HB3 | 90.0° | 150.0° |
| CD1 | CG | CD2 | HD2 | 90.0° | 179.6° |
| CG | CB | CA | N | 90.0° | 65.0° |
| CG | CB | CA | C | 90.0° | 175.0° |
| CG | CB | CA | HB2 | 90.0° | 120.0° |
| CG | CB | CA | HB3 | 90.0° | 119.9° |
| CG | CB | CA | HA | 90.0° | 54.9° |
| CG | CB | HB2 | HB3 | 90.0° | 119.9° |
| CB | CG | CD1 | HD1 | 90.0° | 0.0° |
| CB | CG | CD2 | HD2 | 90.0° | 0.0° |
| O | C | CA | N | 90.0° | 20.0° |
| O | C | CA | OXT | 90.0° | 180.0° |
| O | C | CA | CB | 90.0° | 99.9° |
| O | C | CA | HA | 90.0° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| N | CA | C | CB | 90.0° | 120.0° |
| N | CA | C | HA | 90.0° | 119.9° |
| N | CA | CB | HA | 90.0° | 120.0° |
| N | CA | C | OXT | 90.0° | 160.0° |
| CA | N | H | H2 | 90.0° | 123.9° |
| N | CA | CB | HB2 | 90.0° | 55.0° |
| N | CA | CB | HB3 | 90.0° | 175.1° |
| C | CA | CB | HA | 90.0° | 120.1° |
| C | CA | N | H | 90.0° | 63.9° |
| C | CA | N | H2 | 90.0° | 60.0° |
| C | CA | CB | HB2 | 90.0° | 65.0° |
| C | CA | CB | HB3 | 90.0° | 55.1° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CB | CA | C | OXT | 90.0° | 80.0° |
| CB | CA | N | H | 90.0° | 176.1° |
| CB | CA | N | H2 | 90.0° | 60.0° |
| CA | CB | HB2 | HB3 | 90.0° | 120.0° |
| OXT | C | CA | HA | 90.0° | 40.1° |
| H1 | N1 | C1 | H7 | 90.0° | 176.1° |
| H1 | N1 | C1 | H8 | 90.0° | 64.0° |
| H4 | N1 | C1 | H7 | 90.0° | 59.9° |
| H4 | N1 | C1 | H8 | 90.0° | 60.0° |
| H | N | CA | HA | 90.0° | 56.0° |
| H2 | N | CA | HA | 90.0° | 179.9° |
| HA | CA | CB | HB2 | 90.0° | 175.0° |
| HA | CA | CB | HB3 | 90.0° | 65.0° |
| HZ | CZ | CE2 | HE2 | 90.0° | 0.2° |
| HD2 | CD2 | CE2 | HE2 | 90.0° | 0.3° |
