J9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C05 | doub | 1.21Å | 1.26Å | |
| C05 | C03 | sing | 1.49Å | 1.53Å | |
| C05 | O07 | sing | 1.35Å | 1.22Å | |
| C08 | C01 | sing | 1.53Å | 1.49Å | |
| C03 | N02 | sing | 1.35Å | 1.38Å | |
| C03 | O04 | doub | 1.21Å | 1.25Å | |
| N02 | C01 | sing | 1.46Å | 1.43Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| N02 | H6 | sing | 0.97Å | 1.00Å | |
| O07 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C05 | C03 | 115.4° | 120.0° |
| O06 | C05 | O07 | 129.3° | 120.0° |
| C03 | C05 | O07 | 115.3° | 120.0° |
| C05 | C03 | N02 | 119.9° | 120.0° |
| C05 | C03 | O04 | 121.3° | 120.0° |
| C05 | O07 | H7 | 109.5° | 116.9° |
| C08 | C01 | N02 | 109.8° | 109.5° |
| C08 | C01 | H1 | 109.4° | 109.5° |
| C08 | C01 | H2 | 109.4° | 109.5° |
| C01 | C08 | H3 | 109.5° | 109.5° |
| C01 | C08 | H4 | 109.5° | 109.5° |
| C01 | C08 | H5 | 109.5° | 109.4° |
| N02 | C03 | O04 | 118.9° | 120.0° |
| C03 | N02 | C01 | 124.0° | 120.0° |
| C03 | N02 | H6 | 118.0° | 120.0° |
| N02 | C01 | H1 | 109.4° | 109.5° |
| N02 | C01 | H2 | 109.4° | 109.5° |
| C01 | N02 | H6 | 118.0° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H3 | C08 | H4 | 109.4° | 109.5° |
| H3 | C08 | H5 | 109.4° | 109.5° |
| H4 | C08 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C05 | C03 | O07 | 180.0° | 180.0° |
| O06 | C05 | C03 | N02 | 72.1° | 0.0° |
| O06 | C05 | C03 | O04 | 108.2° | 180.0° |
| O06 | C05 | O07 | H7 | 0.0° | 0.0° |
| C05 | C03 | N02 | O04 | 179.7° | 180.0° |
| C05 | C03 | N02 | C01 | 178.1° | 180.0° |
| C05 | C03 | N02 | H6 | 1.9° | 0.0° |
| C03 | C05 | O07 | H7 | 180.0° | 180.0° |
| O07 | C05 | C03 | N02 | 107.9° | 180.0° |
| O07 | C05 | C03 | O04 | 71.8° | 0.0° |
| C08 | C01 | N02 | C03 | 88.0° | 180.0° |
| C08 | C01 | N02 | H1 | 120.1° | 120.0° |
| C08 | C01 | N02 | H2 | 120.0° | 120.0° |
| C08 | C01 | H1 | H2 | 119.8° | 120.0° |
| C01 | C08 | H3 | H4 | 120.0° | 120.0° |
| C01 | C08 | H3 | H5 | 120.0° | 119.9° |
| C01 | C08 | H4 | H5 | 120.0° | 119.9° |
| C08 | C01 | N02 | H6 | 91.9° | 0.0° |
| C03 | N02 | C01 | H6 | 180.0° | 180.0° |
| C03 | N02 | C01 | H1 | 32.0° | 60.0° |
| C03 | N02 | C01 | H2 | 151.9° | 60.0° |
| O04 | C03 | N02 | C01 | 2.2° | 0.0° |
| O04 | C03 | N02 | H6 | 177.8° | 180.0° |
| N02 | C01 | H1 | H2 | 119.9° | 120.0° |
| N02 | C01 | C08 | H3 | 180.0° | 60.0° |
| N02 | C01 | C08 | H4 | 60.0° | 60.0° |
| N02 | C01 | C08 | H5 | 60.0° | 180.0° |
| H1 | C01 | C08 | H3 | 60.0° | 60.0° |
| H1 | C01 | C08 | H4 | 60.0° | 180.0° |
| H1 | C01 | C08 | H5 | 179.9° | 60.0° |
| H1 | C01 | N02 | H6 | 148.0° | 120.0° |
| H2 | C01 | C08 | H3 | 59.9° | 180.0° |
| H2 | C01 | C08 | H4 | 179.9° | 60.0° |
| H2 | C01 | C08 | H5 | 60.0° | 60.0° |
| H2 | C01 | N02 | H6 | 28.1° | 120.0° |
| H3 | C08 | H4 | H5 | 120.0° | 120.0° |
