X0Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | N04 | sing | 1.35Å | 1.35Å | Aromatic |
| C03 | C02 | doub | 1.37Å | 1.39Å | Aromatic |
| O13 | C01 | doub | 1.22Å | 1.19Å | |
| N04 | C05 | sing | 1.37Å | 1.35Å | Aromatic |
| C02 | C01 | sing | 1.47Å | 1.51Å | |
| C02 | C06 | sing | 1.47Å | 1.37Å | Aromatic |
| C01 | N09 | sing | 1.35Å | 1.42Å | |
| C05 | C06 | doub | 1.34Å | 1.40Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.48Å | |
| N09 | C10 | sing | 1.46Å | 1.45Å | |
| N09 | C08 | sing | 1.34Å | 1.43Å | |
| N07 | C08 | sing | 1.34Å | 1.45Å | |
| N07 | C12 | sing | 1.46Å | 1.46Å | |
| C08 | O11 | doub | 1.22Å | 1.19Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| N04 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N04 | C03 | C02 | 106.8° | 108.2° |
| C03 | N04 | C05 | 110.3° | 110.5° |
| N04 | C03 | H031 | 126.6° | 125.9° |
| C03 | N04 | H1 | 124.9° | 124.8° |
| C03 | C02 | C01 | 131.8° | 136.1° |
| C03 | C02 | C06 | 108.8° | 106.3° |
| C02 | C03 | H031 | 126.6° | 126.0° |
| O13 | C01 | C02 | 119.8° | 120.8° |
| O13 | C01 | N09 | 121.4° | 120.9° |
| N04 | C05 | C06 | 108.1° | 108.9° |
| N04 | C05 | H051 | 126.0° | 125.6° |
| C05 | N04 | H1 | 124.9° | 124.7° |
| C01 | C02 | C06 | 119.3° | 117.6° |
| C02 | C01 | N09 | 118.8° | 118.3° |
| C02 | C06 | C05 | 106.1° | 106.2° |
| C02 | C06 | N07 | 121.5° | 117.9° |
| C01 | N09 | C10 | 119.6° | 118.8° |
| C01 | N09 | C08 | 122.0° | 122.4° |
| C05 | C06 | N07 | 132.3° | 136.0° |
| C06 | C05 | H051 | 126.0° | 125.5° |
| C06 | N07 | C08 | 119.4° | 120.2° |
| C06 | N07 | C12 | 121.0° | 119.9° |
| C10 | N09 | C08 | 118.3° | 118.9° |
| N09 | C10 | H102 | 109.5° | 109.5° |
| N09 | C10 | H101 | 109.5° | 109.5° |
| N09 | C10 | H103 | 109.4° | 109.5° |
| N09 | C08 | N07 | 118.9° | 123.7° |
| N09 | C08 | O11 | 119.3° | 118.2° |
| C08 | N07 | C12 | 119.6° | 119.9° |
| N07 | C08 | O11 | 121.8° | 118.1° |
| N07 | C12 | H121 | 109.5° | 109.5° |
| N07 | C12 | H122 | 109.4° | 109.5° |
| N07 | C12 | H123 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C03 | N04 | C05 | H1 | 180.0° | 180.0° |
| N04 | C03 | C02 | C01 | 179.7° | 180.0° |
| N04 | C03 | C02 | C06 | 0.3° | 0.0° |
| C03 | N04 | C05 | C06 | 0.4° | 0.0° |
| C03 | N04 | C05 | H051 | 179.6° | 179.9° |
| C03 | C02 | C01 | O13 | 0.9° | 0.2° |
| C02 | C03 | N04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C01 | C06 | 179.3° | 180.0° |
| C03 | C02 | C01 | N09 | 179.9° | 180.0° |
| C03 | C02 | C06 | C05 | 0.6° | 0.0° |
| C03 | C02 | C06 | N07 | 179.6° | 180.0° |
| C02 | C03 | N04 | H1 | 179.9° | 180.0° |
| O13 | C01 | C02 | N09 | 179.2° | 179.8° |
| O13 | C01 | C02 | C06 | 179.8° | 179.7° |
| O13 | C01 | N09 | C10 | 0.3° | 0.2° |
| O13 | C01 | N09 | C08 | 179.3° | 179.7° |
| N04 | C05 | C06 | C02 | 0.6° | 0.0° |
| N04 | C05 | C06 | H051 | 180.0° | 180.0° |
| N04 | C05 | C06 | N07 | 179.5° | 180.0° |
| C05 | N04 | C03 | H031 | 179.9° | 180.0° |
| C01 | C02 | C06 | C05 | 180.0° | 180.0° |
| C01 | C02 | C06 | N07 | 1.0° | 0.0° |
| C02 | C01 | N09 | C10 | 179.5° | 180.0° |
| C02 | C01 | N09 | C08 | 0.2° | 0.1° |
| C01 | C02 | C03 | H031 | 0.3° | 0.1° |
| C06 | C02 | C01 | N09 | 0.6° | 0.0° |
| C02 | C06 | C05 | N07 | 178.8° | 180.0° |
| C02 | C06 | N07 | C08 | 0.9° | 0.1° |
| C02 | C06 | N07 | C12 | 179.5° | 180.0° |
| C06 | C02 | C03 | H031 | 179.7° | 180.0° |
| C02 | C06 | C05 | H051 | 179.4° | 180.0° |
| C01 | N09 | C10 | C08 | 179.6° | 180.0° |
| C01 | N09 | C08 | N07 | 0.1° | 0.0° |
| C01 | N09 | C08 | O11 | 180.0° | 180.0° |
| C01 | N09 | C10 | H102 | 180.0° | 0.0° |
| C01 | N09 | C10 | H101 | 60.0° | 120.0° |
| C01 | N09 | C10 | H103 | 60.0° | 120.0° |
| C05 | C06 | N07 | C08 | 179.6° | 180.0° |
| C05 | C06 | N07 | C12 | 0.8° | 0.1° |
| C06 | C05 | N04 | H1 | 179.5° | 180.0° |
| C06 | N07 | C08 | N09 | 0.4° | 0.0° |
| C06 | N07 | C08 | C12 | 179.6° | 179.9° |
| C06 | N07 | C08 | O11 | 179.6° | 180.0° |
| N07 | C06 | C05 | H051 | 0.6° | 0.0° |
| C06 | N07 | C12 | H121 | 180.0° | 90.1° |
| C06 | N07 | C12 | H122 | 60.0° | 150.0° |
| C06 | N07 | C12 | H123 | 60.0° | 30.0° |
| C10 | N09 | C08 | N07 | 179.5° | 180.0° |
| C10 | N09 | C08 | O11 | 0.4° | 0.0° |
| N09 | C10 | H102 | H101 | 120.0° | 120.0° |
| N09 | C10 | H102 | H103 | 120.0° | 120.0° |
| N09 | C10 | H101 | H103 | 120.0° | 119.9° |
| N09 | C08 | N07 | O11 | 179.9° | 180.0° |
| N09 | C08 | N07 | C12 | 180.0° | 180.0° |
| C08 | N09 | C10 | H102 | 0.4° | 180.0° |
| C08 | N09 | C10 | H101 | 120.3° | 60.0° |
| C08 | N09 | C10 | H103 | 119.6° | 59.9° |
| C08 | N07 | C12 | H121 | 0.4° | 90.0° |
| C08 | N07 | C12 | H122 | 120.4° | 29.9° |
| C08 | N07 | C12 | H123 | 119.6° | 149.9° |
| C12 | N07 | C08 | O11 | 0.0° | 0.0° |
| N07 | C12 | H121 | H122 | 120.0° | 120.0° |
| N07 | C12 | H121 | H123 | 120.0° | 120.1° |
| N07 | C12 | H122 | H123 | 120.0° | 120.1° |
| H031 | C03 | N04 | H1 | 0.1° | 0.1° |
| H051 | C05 | N04 | H1 | 0.4° | 0.0° |
| H102 | C10 | H101 | H103 | 120.0° | 120.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
