IGX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| O06 | C05 | doub | 1.22Å | 1.19Å | |
| C04 | C05 | sing | 1.41Å | 1.50Å | |
| C04 | C03 | doub | 1.36Å | 1.50Å | |
| O02 | C03 | sing | 1.35Å | 1.40Å | |
| C05 | N07 | sing | 1.35Å | 1.47Å | |
| C03 | N10 | sing | 1.37Å | 1.44Å | |
| N07 | C08 | sing | 1.35Å | 1.48Å | |
| N10 | C08 | sing | 1.35Å | 1.49Å | |
| C08 | O09 | doub | 1.22Å | 1.19Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N07 | H6 | sing | 0.97Å | 1.00Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| N10 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 116.2° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.4° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O06 | C05 | C04 | 119.7° | 120.2° |
| O06 | C05 | N07 | 120.6° | 120.3° |
| C05 | C04 | C03 | 119.1° | 119.1° |
| C04 | C05 | N07 | 119.7° | 119.5° |
| C05 | C04 | H4 | 120.4° | 120.5° |
| C04 | C03 | O02 | 121.6° | 120.2° |
| C04 | C03 | N10 | 120.5° | 119.5° |
| C03 | C04 | H4 | 120.5° | 120.5° |
| O02 | C03 | N10 | 117.9° | 120.3° |
| C05 | N07 | C08 | 120.5° | 120.5° |
| C05 | N07 | H6 | 119.8° | 119.7° |
| C03 | N10 | C08 | 120.6° | 120.5° |
| C03 | N10 | H5 | 119.7° | 119.8° |
| N07 | C08 | N10 | 119.5° | 120.9° |
| N07 | C08 | O09 | 120.2° | 119.5° |
| C08 | N07 | H6 | 119.7° | 119.7° |
| N10 | C08 | O09 | 120.3° | 119.6° |
| C08 | N10 | H5 | 119.7° | 119.7° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 7.5° | 179.7° |
| C01 | O02 | C03 | N10 | 172.6° | 0.0° |
| O02 | C01 | H1 | H2 | 120.0° | 119.9° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O06 | C05 | C04 | N07 | 179.0° | 180.0° |
| O06 | C05 | C04 | C03 | 179.8° | 180.0° |
| O06 | C05 | N07 | C08 | 179.9° | 180.0° |
| O06 | C05 | N07 | H6 | 0.1° | 0.0° |
| O06 | C05 | C04 | H4 | 0.1° | 0.0° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C05 | C04 | C03 | O02 | 179.8° | 179.7° |
| C05 | C04 | C03 | N10 | 0.3° | 0.1° |
| C04 | C05 | N07 | C08 | 0.9° | 0.0° |
| C04 | C05 | N07 | H6 | 179.1° | 180.0° |
| C04 | C03 | O02 | N10 | 179.9° | 179.7° |
| C03 | C04 | C05 | N07 | 0.9° | 0.0° |
| C04 | C03 | N10 | C08 | 0.2° | 0.1° |
| C04 | C03 | N10 | H5 | 179.8° | 180.0° |
| O02 | C03 | N10 | C08 | 179.7° | 179.8° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.1° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C04 | H4 | 0.3° | 0.3° |
| O02 | C03 | N10 | H5 | 0.3° | 0.3° |
| C05 | N07 | C08 | H6 | 180.0° | 180.0° |
| C05 | N07 | C08 | N10 | 0.4° | 0.1° |
| C05 | N07 | C08 | O09 | 179.6° | 179.9° |
| N07 | C05 | C04 | H4 | 179.1° | 180.0° |
| C03 | N10 | C08 | N07 | 0.2° | 0.1° |
| C03 | N10 | C08 | H5 | 180.0° | 179.9° |
| C03 | N10 | C08 | O09 | 179.8° | 179.9° |
| N10 | C03 | C04 | H4 | 179.6° | 180.0° |
| N07 | C08 | N10 | O09 | 180.0° | 180.0° |
| N07 | C08 | N10 | H5 | 179.8° | 180.0° |
| N10 | C08 | N07 | H6 | 179.6° | 180.0° |
| O09 | C08 | N07 | H6 | 0.4° | 0.0° |
| O09 | C08 | N10 | H5 | 0.2° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
