L3V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | O11 | doub | 1.21Å | 1.19Å | |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| N03 | C04 | sing | 1.40Å | 1.45Å | |
| C10 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C08 | O1 | sing | 1.43Å | 1.28Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N03 | H4 | sing | 0.97Å | 1.00Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O11 | 119.5° | 120.0° |
| C01 | C02 | N03 | 123.0° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| O11 | C02 | N03 | 117.5° | 120.0° |
| C02 | N03 | C04 | 115.9° | 120.0° |
| C02 | N03 | H4 | 122.1° | 120.1° |
| N03 | C04 | C10 | 122.1° | 120.1° |
| N03 | C04 | C05 | 117.9° | 120.1° |
| C04 | N03 | H4 | 122.0° | 120.0° |
| C04 | C10 | C09 | 119.1° | 120.0° |
| C10 | C04 | C05 | 120.0° | 119.8° |
| C04 | C10 | H10 | 120.4° | 120.1° |
| C10 | C09 | C07 | 120.1° | 120.0° |
| C10 | C09 | H9 | 120.0° | 120.0° |
| C09 | C10 | H10 | 120.5° | 120.0° |
| C04 | C05 | C06 | 121.0° | 119.9° |
| C04 | C05 | H5 | 119.5° | 120.0° |
| C09 | C07 | C06 | 120.4° | 120.2° |
| C09 | C07 | C08 | 122.6° | 119.9° |
| C07 | C09 | H9 | 120.0° | 120.0° |
| C05 | C06 | C07 | 119.4° | 120.0° |
| C06 | C05 | H5 | 119.5° | 120.1° |
| C05 | C06 | H6 | 120.3° | 119.9° |
| C06 | C07 | C08 | 117.0° | 119.9° |
| C07 | C06 | H6 | 120.3° | 120.0° |
| C07 | C08 | O1 | 133.1° | 109.4° |
| C07 | C08 | H7 | 103.3° | 109.5° |
| C07 | C08 | H8 | 103.3° | 109.5° |
| O1 | C08 | H7 | 103.3° | 109.5° |
| O1 | C08 | H8 | 103.3° | 109.4° |
| C08 | O1 | H11 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O11 | N03 | 179.6° | 180.0° |
| C01 | C02 | N03 | C04 | 179.6° | 175.4° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | N03 | H4 | 0.4° | 4.6° |
| O11 | C02 | N03 | C04 | 0.0° | 4.6° |
| O11 | C02 | C01 | H1 | 0.0° | 90.1° |
| O11 | C02 | C01 | H2 | 120.0° | 150.0° |
| O11 | C02 | C01 | H3 | 120.0° | 29.9° |
| O11 | C02 | N03 | H4 | 180.0° | 175.4° |
| C02 | N03 | C04 | H4 | 180.0° | 180.0° |
| C02 | N03 | C04 | C10 | 103.4° | 145.2° |
| C02 | N03 | C04 | C05 | 74.5° | 35.1° |
| N03 | C02 | C01 | H1 | 179.6° | 90.0° |
| N03 | C02 | C01 | H2 | 59.6° | 30.0° |
| N03 | C02 | C01 | H3 | 60.4° | 150.0° |
| N03 | C04 | C10 | C05 | 177.9° | 179.7° |
| N03 | C04 | C10 | C09 | 178.8° | 179.7° |
| N03 | C04 | C05 | C06 | 179.3° | 180.0° |
| N03 | C04 | C05 | H5 | 0.8° | 0.0° |
| N03 | C04 | C10 | H10 | 1.2° | 0.0° |
| C04 | C10 | C09 | H10 | 180.0° | 179.7° |
| C04 | C10 | C09 | C07 | 0.2° | 0.6° |
| C10 | C04 | C05 | C06 | 1.3° | 0.2° |
| C10 | C04 | N03 | H4 | 76.7° | 34.8° |
| C10 | C04 | C05 | H5 | 178.7° | 179.7° |
| C04 | C10 | C09 | H9 | 179.8° | 179.7° |
| C09 | C10 | C04 | C05 | 0.9° | 0.5° |
| C10 | C09 | C07 | H9 | 180.0° | 179.7° |
| C10 | C09 | C07 | C06 | 0.1° | 0.3° |
| C10 | C09 | C07 | C08 | 179.2° | 179.7° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 1.0° | 0.0° |
| C05 | C04 | N03 | H4 | 105.4° | 144.9° |
| C04 | C05 | C06 | H6 | 179.0° | 180.0° |
| C05 | C04 | C10 | H10 | 179.1° | 179.7° |
| C09 | C07 | C06 | C05 | 0.2° | 0.0° |
| C09 | C07 | C06 | C08 | 179.3° | 180.0° |
| C09 | C07 | C08 | O1 | 140.6° | 90.0° |
| C09 | C07 | C06 | H6 | 179.8° | 180.0° |
| C09 | C07 | C08 | H7 | 17.7° | 30.0° |
| C09 | C07 | C08 | H8 | 96.4° | 150.0° |
| C07 | C09 | C10 | H10 | 179.8° | 179.7° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.6° | 180.0° |
| C06 | C07 | C08 | O1 | 38.7° | 90.0° |
| C07 | C06 | C05 | H5 | 179.1° | 180.0° |
| C06 | C07 | C08 | H7 | 161.7° | 150.0° |
| C06 | C07 | C08 | H8 | 84.3° | 29.9° |
| C06 | C07 | C09 | H9 | 179.9° | 180.0° |
| C07 | C08 | O1 | H7 | 122.9° | 120.0° |
| C07 | C08 | O1 | H8 | 123.0° | 119.9° |
| C08 | C07 | C06 | H6 | 0.4° | 0.0° |
| C07 | C08 | H7 | H8 | 109.5° | 120.0° |
| C08 | C07 | C09 | H9 | 0.8° | 0.0° |
| C07 | C08 | O1 | H11 | 180.0° | 180.0° |
| O1 | C08 | H7 | H8 | 109.5° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H5 | C05 | C06 | H6 | 0.9° | 0.0° |
| H7 | C08 | O1 | H11 | 57.1° | 60.0° |
| H8 | C08 | O1 | H11 | 57.0° | 60.1° |
| H9 | C09 | C10 | H10 | 0.2° | 0.0° |
