OG3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| CL08 | C07 | sing | 1.74Å | 1.79Å | |
| C10 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| N03 | C02 | sing | 1.47Å | 1.44Å | |
| C04 | C02 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| N03 | H1 | sing | 1.01Å | 1.00Å | |
| N03 | H032 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C07 | 120.3° | 120.0° |
| C09 | C10 | C04 | 120.1° | 120.0° |
| C10 | C09 | H091 | 119.8° | 120.0° |
| C09 | C10 | H101 | 120.0° | 120.0° |
| C09 | C07 | CL08 | 120.8° | 120.0° |
| C09 | C07 | C06 | 119.4° | 120.0° |
| C07 | C09 | H091 | 119.8° | 120.0° |
| CL08 | C07 | C06 | 119.8° | 120.0° |
| C10 | C04 | C02 | 120.5° | 119.9° |
| C10 | C04 | C05 | 119.6° | 120.1° |
| C04 | C10 | H101 | 120.0° | 120.0° |
| C07 | C06 | C05 | 120.3° | 120.0° |
| C07 | C06 | H061 | 119.9° | 120.0° |
| N03 | C02 | C04 | 115.6° | 109.5° |
| N03 | C02 | C01 | 101.9° | 109.4° |
| N03 | C02 | H021 | 109.6° | 109.5° |
| C02 | N03 | H1 | 109.5° | 111.0° |
| C02 | N03 | H032 | 109.4° | 111.0° |
| C02 | C04 | C05 | 119.9° | 120.0° |
| C04 | C02 | C01 | 112.1° | 109.5° |
| C04 | C02 | H021 | 108.5° | 109.5° |
| C04 | C05 | C06 | 120.4° | 120.0° |
| C04 | C05 | H051 | 119.8° | 120.0° |
| C06 | C05 | H051 | 119.8° | 120.0° |
| C05 | C06 | H061 | 119.9° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.7° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H1 | N03 | H032 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C07 | H091 | 180.0° | 179.5° |
| C10 | C09 | C07 | CL08 | 179.6° | 179.7° |
| C09 | C10 | C04 | H101 | 180.0° | 179.4° |
| C10 | C09 | C07 | C06 | 0.1° | 0.2° |
| C09 | C10 | C04 | C02 | 179.1° | 179.7° |
| C09 | C10 | C04 | C05 | 1.3° | 0.5° |
| C09 | C07 | CL08 | C06 | 179.5° | 180.0° |
| C07 | C09 | C10 | C04 | 0.6° | 0.5° |
| C09 | C07 | C06 | C05 | 0.2° | 0.0° |
| C09 | C07 | C06 | H061 | 179.8° | 180.0° |
| C07 | C09 | C10 | H101 | 179.4° | 179.9° |
| CL08 | C07 | C06 | C05 | 179.6° | 180.0° |
| CL08 | C07 | C06 | H061 | 0.3° | 0.0° |
| CL08 | C07 | C09 | H091 | 0.4° | 0.2° |
| C10 | C04 | C02 | N03 | 93.6° | 39.7° |
| C10 | C04 | C02 | C05 | 177.8° | 179.8° |
| C10 | C04 | C05 | C06 | 1.3° | 0.3° |
| C10 | C04 | C02 | C01 | 150.1° | 80.3° |
| C10 | C04 | C02 | H021 | 30.0° | 159.7° |
| C10 | C04 | C05 | H051 | 178.7° | 179.8° |
| C04 | C10 | C09 | H091 | 179.4° | 180.0° |
| C07 | C06 | C05 | C04 | 0.5° | 0.0° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | H051 | 179.5° | 179.9° |
| C06 | C07 | C09 | H091 | 179.9° | 179.7° |
| N03 | C02 | C04 | C01 | 116.2° | 120.0° |
| N03 | C02 | C04 | H021 | 123.6° | 120.0° |
| N03 | C02 | C04 | C05 | 88.6° | 140.0° |
| N03 | C02 | C01 | H021 | 115.7° | 120.0° |
| N03 | C02 | C01 | H012 | 180.0° | 180.0° |
| N03 | C02 | C01 | H011 | 60.0° | 60.0° |
| N03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C02 | N03 | H1 | H032 | 120.0° | 124.0° |
| C02 | C04 | C05 | C06 | 179.1° | 180.0° |
| C04 | C02 | C01 | H021 | 120.0° | 120.0° |
| C04 | C02 | C01 | H012 | 55.7° | 60.0° |
| C04 | C02 | C01 | H011 | 64.3° | 60.0° |
| C04 | C02 | C01 | H013 | 175.8° | 180.0° |
| C02 | C04 | C05 | H051 | 0.9° | 0.0° |
| C02 | C04 | C10 | H101 | 0.9° | 0.3° |
| C04 | C02 | N03 | H1 | 180.0° | 180.0° |
| C04 | C02 | N03 | H032 | 60.0° | 56.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C05 | C04 | C02 | C01 | 27.6° | 100.0° |
| C05 | C04 | C02 | H021 | 147.8° | 20.0° |
| C04 | C05 | C06 | H061 | 179.5° | 180.0° |
| C05 | C04 | C10 | H101 | 178.7° | 179.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C01 | C02 | N03 | H1 | 58.1° | 60.0° |
| C01 | C02 | N03 | H032 | 61.9° | 64.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 64.3° | 60.0° |
| H011 | C01 | C02 | H021 | 175.7° | NaN° |
| H013 | C01 | C02 | H021 | 55.8° | 59.9° |
| H021 | C02 | N03 | H1 | 57.0° | 60.0° |
| H021 | C02 | N03 | H032 | 177.0° | 176.0° |
| H051 | C05 | C06 | H061 | 0.5° | 0.0° |
| H091 | C09 | C10 | H101 | 0.6° | 0.6° |
