9XN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | P2 | sing | 1.61Å | 1.51Å | |
| O1 | P2 | sing | 1.61Å | 1.54Å | |
| N5 | P2 | sing | 1.68Å | 1.73Å | |
| P2 | S3 | doub | 1.86Å | 1.95Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| N5 | H3 | sing | 1.01Å | 1.00Å | |
| N5 | H4 | sing | 1.01Å | 1.00Å | |
| O4 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | P2 | O1 | 106.7° | 109.4° |
| O4 | P2 | N5 | 106.2° | 109.5° |
| O4 | P2 | S3 | 115.2° | 109.5° |
| P2 | O4 | H5 | 109.5° | 114.0° |
| O1 | P2 | N5 | 101.6° | 109.4° |
| O1 | P2 | S3 | 113.3° | 109.5° |
| P2 | O1 | H1 | 109.5° | 114.0° |
| N5 | P2 | S3 | 112.7° | 109.5° |
| P2 | N5 | H3 | 109.5° | 111.0° |
| P2 | N5 | H4 | 109.5° | 111.0° |
| H3 | N5 | H4 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | P2 | O1 | N5 | 111.0° | 120.0° |
| O4 | P2 | O1 | S3 | 127.8° | 120.0° |
| O4 | P2 | N5 | S3 | 127.1° | 120.0° |
| O4 | P2 | O1 | H1 | 127.8° | 59.9° |
| O4 | P2 | N5 | H3 | 180.0° | 56.1° |
| O4 | P2 | N5 | H4 | 60.0° | 180.0° |
| O1 | P2 | N5 | S3 | 121.6° | 120.0° |
| O1 | P2 | N5 | H3 | 68.7° | 176.0° |
| O1 | P2 | N5 | H4 | 51.3° | 60.0° |
| O1 | P2 | O4 | H5 | 126.7° | 60.1° |
| N5 | P2 | O1 | H1 | 121.2° | 60.0° |
| P2 | N5 | H3 | H4 | 120.0° | 123.9° |
| N5 | P2 | O4 | H5 | 125.6° | 180.0° |
| S3 | P2 | O1 | H1 | 0.0° | 180.0° |
| S3 | P2 | N5 | H3 | 52.9° | 63.9° |
| S3 | P2 | N5 | H4 | 172.9° | 60.0° |
| S3 | P2 | O4 | H5 | 0.0° | 59.9° |
