NMJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | N06 | doub | 1.32Å | 1.32Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| N06 | C01 | sing | 1.32Å | 1.30Å | Aromatic |
| O09 | C08 | doub | 1.21Å | 1.27Å | |
| CL07 | C04 | sing | 1.74Å | 1.74Å | |
| C04 | N03 | doub | 1.32Å | 1.31Å | Aromatic |
| C01 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| N03 | C02 | sing | 1.33Å | 1.33Å | Aromatic |
| C02 | C08 | sing | 1.48Å | 1.46Å | |
| C08 | O10 | sing | 1.35Å | 1.23Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| O10 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C05 | C04 | 122.9° | 120.2° |
| C05 | N06 | C01 | 116.9° | 120.1° |
| N06 | C05 | H2 | 118.5° | 119.9° |
| C05 | C04 | CL07 | 119.0° | 120.0° |
| C05 | C04 | N03 | 122.6° | 120.1° |
| C04 | C05 | H2 | 118.5° | 119.9° |
| N06 | C01 | C02 | 118.2° | 119.9° |
| N06 | C01 | H1 | 120.9° | 120.0° |
| O09 | C08 | C02 | 119.3° | 120.0° |
| O09 | C08 | O10 | 126.9° | 120.0° |
| CL07 | C04 | N03 | 118.4° | 119.9° |
| C04 | N03 | C02 | 111.8° | 119.9° |
| C01 | C02 | N03 | 127.6° | 119.8° |
| C01 | C02 | C08 | 118.4° | 120.1° |
| C02 | C01 | H1 | 120.9° | 120.0° |
| N03 | C02 | C08 | 114.0° | 120.1° |
| C02 | C08 | O10 | 113.1° | 120.0° |
| C08 | O10 | H3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C05 | C04 | H2 | 180.0° | 179.4° |
| N06 | C05 | C04 | CL07 | 179.9° | 179.7° |
| N06 | C05 | C04 | N03 | 1.0° | 0.3° |
| C05 | N06 | C01 | C02 | 0.9° | 0.6° |
| C05 | N06 | C01 | H1 | 179.0° | 179.7° |
| C04 | C05 | N06 | C01 | 0.9° | 0.6° |
| C05 | C04 | CL07 | N03 | 178.9° | 179.9° |
| C05 | C04 | N03 | C02 | 1.1° | 0.1° |
| N06 | C01 | C02 | H1 | 180.0° | 179.7° |
| N06 | C01 | C02 | N03 | 1.3° | 0.3° |
| N06 | C01 | C02 | C08 | 178.1° | 179.8° |
| C01 | N06 | C05 | H2 | 179.1° | 180.0° |
| O09 | C08 | C02 | C01 | 19.5° | 0.0° |
| O09 | C08 | C02 | N03 | 157.7° | 179.9° |
| O09 | C08 | C02 | O10 | 171.1° | 180.0° |
| O09 | C08 | O10 | H3 | 0.0° | 0.0° |
| CL07 | C04 | N03 | C02 | 180.0° | 180.0° |
| CL07 | C04 | C05 | H2 | 0.1° | 0.3° |
| C04 | N03 | C02 | C01 | 1.3° | 0.1° |
| C04 | N03 | C02 | C08 | 178.2° | 180.0° |
| N03 | C04 | C05 | H2 | 179.0° | 179.8° |
| C01 | C02 | N03 | C08 | 176.9° | 179.9° |
| C01 | C02 | C08 | O10 | 169.3° | 180.0° |
| N03 | C02 | C08 | O10 | 13.5° | 0.0° |
| N03 | C02 | C01 | H1 | 178.7° | 180.0° |
| C08 | C02 | C01 | H1 | 1.9° | 0.1° |
| C02 | C08 | O10 | H3 | 170.3° | 180.0° |
