7RE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| N03 | C02 | doub | 1.31Å | 1.32Å | |
| N03 | C04 | sing | 1.34Å | 1.31Å | |
| O05 | C04 | doub | 1.21Å | 1.40Å | |
| C02 | C08 | sing | 1.41Å | 1.37Å | |
| C04 | C06 | sing | 1.52Å | 1.38Å | |
| C08 | C07 | doub | 1.34Å | 1.39Å | |
| C06 | C07 | sing | 1.52Å | 1.39Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 119.0° | 117.9° |
| C01 | C02 | C08 | 119.8° | 117.9° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| C02 | N03 | C04 | 123.4° | 122.6° |
| N03 | C02 | C08 | 121.2° | 124.1° |
| N03 | C04 | O05 | 119.2° | 120.9° |
| N03 | C04 | C06 | 119.2° | 118.3° |
| O05 | C04 | C06 | 121.6° | 120.8° |
| C02 | C08 | C07 | 117.4° | 121.1° |
| C02 | C08 | H7 | 121.3° | 119.4° |
| C04 | C06 | C07 | 119.0° | 116.6° |
| C04 | C06 | H4 | 107.0° | 108.0° |
| C04 | C06 | H5 | 107.0° | 108.0° |
| C08 | C07 | C06 | 119.8° | 117.4° |
| C08 | C07 | H6 | 120.1° | 121.3° |
| C07 | C08 | H7 | 121.3° | 119.5° |
| C07 | C06 | H4 | 107.1° | 107.8° |
| C07 | C06 | H5 | 107.0° | 108.2° |
| C06 | C07 | H6 | 120.1° | 121.3° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 107.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | C08 | 180.0° | 179.8° |
| C01 | C02 | N03 | C04 | 179.8° | 180.0° |
| C01 | C02 | C08 | C07 | 179.8° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C08 | H7 | 0.2° | 0.0° |
| C02 | N03 | C04 | O05 | 180.0° | 179.8° |
| C02 | N03 | C04 | C06 | 0.5° | 0.0° |
| N03 | C02 | C08 | C07 | 0.2° | 0.2° |
| N03 | C02 | C01 | H1 | 0.0° | 90.2° |
| N03 | C02 | C01 | H2 | 120.0° | 29.8° |
| N03 | C02 | C01 | H3 | 120.0° | 149.8° |
| N03 | C02 | C08 | H7 | 179.9° | 179.8° |
| N03 | C04 | O05 | C06 | 179.6° | 179.8° |
| C04 | N03 | C02 | C08 | 0.3° | 0.2° |
| N03 | C04 | C06 | C07 | 0.2° | 0.2° |
| N03 | C04 | C06 | H4 | 121.2° | 121.8° |
| N03 | C04 | C06 | H5 | 121.5° | 121.8° |
| O05 | C04 | C06 | C07 | 179.8° | 179.9° |
| O05 | C04 | C06 | H4 | 58.4° | 58.4° |
| O05 | C04 | C06 | H5 | 58.9° | 58.0° |
| C02 | C08 | C07 | H7 | 180.0° | 180.0° |
| C02 | C08 | C07 | C06 | 0.4° | 0.0° |
| C08 | C02 | C01 | H1 | 179.9° | 90.0° |
| C08 | C02 | C01 | H2 | 60.0° | 150.0° |
| C08 | C02 | C01 | H3 | 60.0° | 30.0° |
| C02 | C08 | C07 | H6 | 179.6° | 179.8° |
| C04 | C06 | C07 | C08 | 0.2° | 0.2° |
| C04 | C06 | C07 | H4 | 121.4° | 121.6° |
| C04 | C06 | C07 | H5 | 121.3° | 121.9° |
| C04 | C06 | H4 | H5 | 115.7° | 116.5° |
| C04 | C06 | C07 | H6 | 179.8° | 180.0° |
| C08 | C07 | C06 | H6 | 180.0° | 179.7° |
| C08 | C07 | C06 | H4 | 121.6° | 121.9° |
| C08 | C07 | C06 | H5 | 121.1° | 121.7° |
| C07 | C06 | H4 | H5 | 115.7° | 116.7° |
| C06 | C07 | C08 | H7 | 179.6° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C06 | C07 | H6 | 58.4° | 58.4° |
| H5 | C06 | C07 | H6 | 58.9° | 58.1° |
| H6 | C07 | C08 | H7 | 0.4° | 0.2° |
