IJZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C9 | doub | 0.00Å | 1.24Å | |
| C9 | O11 | sing | 0.00Å | 1.24Å | |
| C9 | C5 | sing | 0.00Å | 1.49Å | |
| C5 | C4 | doub | 0.00Å | 1.47Å | |
| C5 | N6 | sing | 0.00Å | 1.36Å | |
| C4 | N12 | sing | 0.00Å | 1.36Å | |
| C4 | C3 | sing | 0.00Å | 1.48Å | |
| N12 | H112 | sing | 0.00Å | 1.00Å | |
| N12 | H212 | sing | 0.00Å | 1.00Å | |
| C3 | O8 | doub | 0.00Å | 1.25Å | |
| C3 | N2 | sing | 0.00Å | 1.36Å | |
| N2 | C1 | sing | 0.00Å | 1.36Å | |
| N2 | HN2 | sing | 0.00Å | 1.00Å | |
| C1 | N6 | sing | 0.00Å | 1.35Å | |
| C1 | O7 | doub | 0.00Å | 1.25Å | |
| N6 | HN6 | sing | 0.00Å | 1.00Å | |
| O11 | H5 | sing | 0.00Å | 0.96Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C9 | O11 | 122.8° | 90.0° |
| O10 | C9 | C5 | 116.3° | 90.0° |
| O11 | C9 | C5 | 120.9° | 90.0° |
| C9 | O11 | H5 | 109.5° | 90.0° |
| C9 | C5 | C4 | 120.1° | 90.0° |
| C9 | C5 | N6 | 120.1° | 90.0° |
| C4 | C5 | N6 | 119.7° | 90.0° |
| C5 | C4 | N12 | 121.7° | 90.0° |
| C5 | C4 | C3 | 116.0° | 90.0° |
| C5 | N6 | C1 | 121.6° | 90.0° |
| C5 | N6 | HN6 | 119.2° | 90.0° |
| N12 | C4 | C3 | 122.3° | 90.0° |
| C4 | N12 | H112 | 109.5° | 90.0° |
| C4 | N12 | H212 | 109.5° | 90.0° |
| C4 | C3 | O8 | 119.3° | 90.0° |
| C4 | C3 | N2 | 118.8° | 90.0° |
| H112 | N12 | H212 | 109.4° | 90.0° |
| O8 | C3 | N2 | 122.0° | 90.0° |
| C3 | N2 | C1 | 122.1° | 90.0° |
| C3 | N2 | HN2 | 118.9° | 90.0° |
| C1 | N2 | HN2 | 119.0° | 90.0° |
| N2 | C1 | N6 | 121.8° | 90.0° |
| N2 | C1 | O7 | 120.5° | 90.0° |
| N6 | C1 | O7 | 117.7° | 90.0° |
| C1 | N6 | HN6 | 119.2° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C9 | O11 | C5 | 178.3° | 90.0° |
| O10 | C9 | C5 | C4 | 143.1° | 90.0° |
| O10 | C9 | C5 | N6 | 35.5° | 90.0° |
| O10 | C9 | O11 | H5 | 11.1° | 90.0° |
| O11 | C9 | C5 | C4 | 35.3° | 90.0° |
| O11 | C9 | C5 | N6 | 146.1° | 90.0° |
| C9 | C5 | C4 | N6 | 178.6° | 90.0° |
| C9 | C5 | C4 | N12 | 1.4° | 90.0° |
| C9 | C5 | C4 | C3 | 178.1° | 90.0° |
| C9 | C5 | N6 | C1 | 178.5° | 90.0° |
| C9 | C5 | N6 | HN6 | 1.5° | 90.0° |
| C5 | C9 | O11 | H5 | 170.5° | 90.0° |
| C5 | C4 | N12 | C3 | 179.4° | 90.0° |
| C5 | C4 | N12 | H112 | 180.0° | 90.0° |
| C5 | C4 | N12 | H212 | 60.0° | 90.0° |
| C5 | C4 | C3 | O8 | 179.7° | 90.0° |
| C5 | C4 | C3 | N2 | 1.2° | 90.0° |
| C4 | C5 | N6 | C1 | 0.1° | 90.0° |
| C4 | C5 | N6 | HN6 | 179.9° | 90.0° |
| N6 | C5 | C4 | N12 | 180.0° | 90.0° |
| N6 | C5 | C4 | C3 | 0.6° | 90.0° |
| C5 | N6 | C1 | N2 | 0.3° | 90.0° |
| C5 | N6 | C1 | HN6 | 180.0° | 90.0° |
| C5 | N6 | C1 | O7 | 179.5° | 90.0° |
| C4 | N12 | H112 | H212 | 120.0° | 90.0° |
| N12 | C4 | C3 | O8 | 0.3° | 90.0° |
| N12 | C4 | C3 | N2 | 179.3° | 90.0° |
| C3 | C4 | N12 | H112 | 0.6° | 90.0° |
| C3 | C4 | N12 | H212 | 119.4° | 90.0° |
| C4 | C3 | O8 | N2 | 179.0° | 90.0° |
| C4 | C3 | N2 | C1 | 1.5° | 90.0° |
| C4 | C3 | N2 | HN2 | 178.5° | 90.0° |
| O8 | C3 | N2 | C1 | 179.5° | 90.0° |
| O8 | C3 | N2 | HN2 | 0.5° | 90.0° |
| C3 | N2 | C1 | HN2 | 180.0° | 90.0° |
| C3 | N2 | C1 | N6 | 1.0° | 90.0° |
| C3 | N2 | C1 | O7 | 179.8° | 90.0° |
| N2 | C1 | N6 | O7 | 179.2° | 90.0° |
| N2 | C1 | N6 | HN6 | 179.7° | 90.0° |
| HN2 | N2 | C1 | N6 | 179.0° | 90.0° |
| HN2 | N2 | C1 | O7 | 0.2° | 90.0° |
| O7 | C1 | N6 | HN6 | 0.5° | 90.0° |
