A1EUA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C04 | sing | 1.47Å | 1.39Å | |
| N03 | C02 | sing | 1.47Å | 1.42Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.43Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C05 | C07 | sing | 1.51Å | 1.54Å | |
| C05 | O06 | sing | 1.43Å | 1.39Å | |
| C07 | C08 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | O06 | sing | 1.43Å | 1.42Å | |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N03 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | N03 | C02 | 111.8° | 110.7° |
| N03 | C04 | C05 | 110.9° | 109.3° |
| N03 | C04 | H6 | 109.1° | 109.5° |
| N03 | C04 | H7 | 109.1° | 109.5° |
| C04 | N03 | H13 | 108.9° | 111.1° |
| N03 | C02 | C01 | 111.1° | 109.3° |
| N03 | C02 | H4 | 109.1° | 109.5° |
| N03 | C02 | H5 | 109.0° | 109.5° |
| C02 | N03 | H13 | 108.9° | 111.0° |
| C04 | C05 | C07 | 110.1° | 109.5° |
| C04 | C05 | O06 | 111.6° | 109.2° |
| C05 | C04 | H6 | 109.1° | 109.5° |
| C05 | C04 | H7 | 109.1° | 109.5° |
| C04 | C05 | H8 | 108.1° | 109.5° |
| C11 | C12 | C07 | 119.9° | 120.0° |
| C12 | C11 | C10 | 119.9° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C12 | C07 | C05 | 120.2° | 120.0° |
| C12 | C07 | C08 | 120.3° | 120.0° |
| C07 | C12 | H12 | 120.1° | 120.0° |
| C11 | C10 | C09 | 120.4° | 120.0° |
| C11 | C10 | H1 | 119.8° | 120.0° |
| C10 | C11 | H11 | 120.1° | 120.0° |
| C02 | C01 | O06 | 111.6° | 109.3° |
| C02 | C01 | H2 | 108.9° | 109.5° |
| C02 | C01 | H3 | 108.9° | 109.5° |
| C01 | C02 | H4 | 109.1° | 109.5° |
| C01 | C02 | H5 | 109.1° | 109.5° |
| C07 | C05 | O06 | 108.6° | 109.5° |
| C05 | C07 | C08 | 119.5° | 120.0° |
| C07 | C05 | H8 | 108.1° | 109.5° |
| C05 | O06 | C01 | 110.7° | 113.7° |
| O06 | C05 | H8 | 110.2° | 109.6° |
| C07 | C08 | C09 | 119.8° | 120.0° |
| C07 | C08 | H9 | 120.1° | 120.0° |
| C10 | C09 | C08 | 119.6° | 120.0° |
| C09 | C10 | H1 | 119.8° | 120.0° |
| C10 | C09 | H10 | 120.2° | 120.0° |
| O06 | C01 | H2 | 109.0° | 109.5° |
| O06 | C01 | H3 | 108.9° | 109.5° |
| C09 | C08 | H9 | 120.1° | 120.0° |
| C08 | C09 | H10 | 120.2° | 120.0° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | N03 | C02 | H13 | 120.3° | 123.8° |
| N03 | C04 | C05 | H6 | 120.2° | 120.0° |
| N03 | C04 | C05 | H7 | 120.2° | 120.0° |
| C04 | N03 | C02 | C01 | 61.7° | 58.6° |
| N03 | C04 | C05 | C07 | 165.8° | 176.8° |
| N03 | C04 | C05 | O06 | 45.0° | 56.9° |
| C04 | N03 | C02 | H4 | 178.0° | 178.6° |
| C04 | N03 | C02 | H5 | 58.5° | 61.4° |
| N03 | C04 | H6 | H7 | 119.4° | 120.1° |
| N03 | C04 | C05 | H8 | 76.3° | 63.1° |
| C02 | N03 | C04 | C05 | 17.2° | 58.6° |
| N03 | C02 | C01 | H4 | 120.3° | 120.0° |
| N03 | C02 | C01 | H5 | 120.2° | 119.9° |
| N03 | C02 | C01 | O06 | 44.3° | 56.9° |
| N03 | C02 | C01 | H2 | 76.0° | 176.8° |
| N03 | C02 | C01 | H3 | 164.6° | 63.1° |
| N03 | C02 | H4 | H5 | 119.2° | 120.1° |
| C02 | N03 | C04 | H6 | 103.0° | 61.4° |
| C02 | N03 | C04 | H7 | 137.4° | 178.6° |
| C04 | C05 | C07 | C12 | 43.8° | 84.4° |
| C04 | C05 | C07 | O06 | 122.6° | 119.7° |
| C04 | C05 | C07 | H8 | 117.9° | 120.1° |
| C04 | C05 | O06 | H8 | 120.1° | 120.0° |
| C04 | C05 | C07 | C08 | 136.7° | 95.1° |
| C04 | C05 | O06 | C01 | 62.0° | 58.7° |
| C05 | C04 | H6 | H7 | 119.3° | 120.1° |
| C05 | C04 | N03 | H13 | 103.2° | 177.6° |
| C11 | C12 | C07 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | C12 | C07 | C05 | 179.8° | 179.7° |
| C11 | C12 | C07 | C08 | 0.3° | 0.2° |
| C12 | C11 | C10 | C09 | 0.1° | 0.0° |
| C12 | C11 | C10 | H1 | 179.9° | 179.7° |
| C07 | C12 | C11 | C10 | 0.2° | 0.0° |
| C12 | C07 | C05 | C08 | 179.5° | 179.5° |
| C12 | C07 | C05 | O06 | 166.3° | 35.3° |
| C12 | C07 | C08 | C09 | 0.4° | 0.5° |
| C12 | C07 | C05 | H8 | 74.1° | 155.5° |
| C12 | C07 | C08 | H9 | 179.6° | 179.4° |
| C07 | C12 | C11 | H11 | 179.8° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 0.2° | 0.3° |
| C11 | C10 | C09 | H10 | 179.8° | 179.7° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C02 | C01 | O06 | C05 | 17.1° | 58.7° |
| C02 | C01 | O06 | H2 | 120.3° | 119.9° |
| C02 | C01 | O06 | H3 | 120.3° | 120.0° |
| C02 | C01 | H2 | H3 | 119.0° | 120.1° |
| C01 | C02 | H4 | H5 | 119.3° | 120.1° |
| C01 | C02 | N03 | H13 | 58.6° | 177.6° |
| C07 | C05 | O06 | H8 | 118.3° | 120.1° |
| C07 | C05 | O06 | C01 | 176.4° | 178.6° |
| C05 | C07 | C08 | C09 | 179.9° | 180.0° |
| C07 | C05 | C04 | H6 | 74.0° | 56.8° |
| C07 | C05 | C04 | H7 | 45.6° | 63.3° |
| C05 | C07 | C08 | H9 | 0.1° | 0.0° |
| C05 | C07 | C12 | H12 | 0.1° | 0.2° |
| O06 | C05 | C07 | C08 | 14.2° | 145.2° |
| C05 | O06 | C01 | H2 | 137.4° | 178.6° |
| C05 | O06 | C01 | H3 | 103.3° | 61.3° |
| O06 | C05 | C04 | H6 | 165.2° | 63.0° |
| O06 | C05 | C04 | H7 | 75.2° | 176.9° |
| C07 | C08 | C09 | C10 | 0.3° | 0.6° |
| C07 | C08 | C09 | H9 | 180.0° | 179.9° |
| C08 | C07 | C05 | H8 | 105.4° | 25.0° |
| C07 | C08 | C09 | H10 | 179.7° | 179.5° |
| C08 | C07 | C12 | H12 | 179.7° | 179.7° |
| C10 | C09 | C08 | H10 | 180.0° | 179.9° |
| C10 | C09 | C08 | H9 | 179.6° | 179.4° |
| C09 | C10 | C11 | H11 | 179.9° | 180.0° |
| O06 | C01 | H2 | H3 | 119.0° | 120.2° |
| O06 | C01 | C02 | H4 | 164.6° | 176.8° |
| O06 | C01 | C02 | H5 | 75.9° | 63.1° |
| C01 | O06 | C05 | H8 | 58.1° | 61.3° |
| C08 | C09 | C10 | H1 | 179.8° | 180.0° |
| H1 | C10 | C09 | H10 | 0.1° | 0.1° |
| H1 | C10 | C11 | H11 | 0.1° | 0.3° |
| H2 | C01 | C02 | H4 | 44.3° | 63.3° |
| H2 | C01 | C02 | H5 | 163.8° | 56.8° |
| H3 | C01 | C02 | H4 | 75.1° | 56.8° |
| H3 | C01 | C02 | H5 | 44.4° | 176.9° |
| H4 | C02 | N03 | H13 | 61.7° | 57.6° |
| H5 | C02 | N03 | H13 | 178.9° | 62.5° |
| H6 | C04 | C05 | H8 | 43.9° | 176.9° |
| H6 | C04 | N03 | H13 | 136.6° | 62.5° |
| H7 | C04 | C05 | H8 | 163.5° | 56.9° |
| H7 | C04 | N03 | H13 | 17.0° | 57.6° |
| H9 | C08 | C09 | H10 | 0.3° | 0.5° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
