60P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C03 | sing | 1.51Å | 1.49Å | |
| C04 | C03 | sing | 1.37Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.34Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.37Å | 1.39Å | Aromatic |
| C05 | S01 | sing | 1.71Å | 1.72Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.27Å | |
| C02 | C07 | sing | 1.46Å | 1.50Å | |
| C02 | S01 | sing | 1.76Å | 1.71Å | Aromatic |
| C07 | O09 | sing | 1.35Å | 1.27Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| O09 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C03 | C04 | 120.9° | 123.3° |
| C06 | C03 | C02 | 123.3° | 123.3° |
| C03 | C06 | H061 | 109.5° | 109.5° |
| C03 | C06 | H062 | 109.5° | 109.5° |
| C03 | C06 | H063 | 109.5° | 109.4° |
| C03 | C04 | C05 | 113.6° | 115.1° |
| C04 | C03 | C02 | 115.8° | 113.3° |
| C03 | C04 | H041 | 123.2° | 122.5° |
| C04 | C05 | S01 | 108.1° | 111.0° |
| C05 | C04 | H041 | 123.2° | 122.5° |
| C04 | C05 | H051 | 126.0° | 124.5° |
| C03 | C02 | C07 | 130.6° | 125.5° |
| C03 | C02 | S01 | 106.5° | 109.1° |
| C05 | S01 | C02 | 96.1° | 91.6° |
| S01 | C05 | H051 | 126.0° | 124.6° |
| O08 | C07 | C02 | 121.3° | 120.0° |
| O08 | C07 | O09 | 120.0° | 120.0° |
| C07 | C02 | S01 | 122.8° | 125.5° |
| C02 | C07 | O09 | 118.7° | 119.9° |
| C07 | O09 | H1 | 109.5° | 116.9° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H061 | C06 | H063 | 109.5° | 109.5° |
| H062 | C06 | H063 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C03 | C04 | C02 | 179.0° | 180.0° |
| C06 | C03 | C04 | C05 | 179.4° | 180.0° |
| C06 | C03 | C02 | C07 | 1.9° | 0.0° |
| C06 | C03 | C02 | S01 | 179.5° | 180.0° |
| C06 | C03 | C04 | H041 | 0.6° | 0.1° |
| C03 | C06 | H061 | H062 | 120.0° | 120.0° |
| C03 | C06 | H061 | H063 | 120.0° | 120.0° |
| C03 | C06 | H062 | H063 | 120.0° | 120.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | S01 | 1.9° | 0.0° |
| C04 | C03 | C02 | C07 | 179.1° | 180.0° |
| C04 | C03 | C02 | S01 | 0.5° | 0.0° |
| C03 | C04 | C05 | H051 | 178.1° | 180.0° |
| C04 | C03 | C06 | H061 | 90.5° | 90.0° |
| C04 | C03 | C06 | H062 | 149.5° | 30.0° |
| C04 | C03 | C06 | H063 | 29.5° | 150.0° |
| C05 | C04 | C03 | C02 | 1.6° | 0.0° |
| C04 | C05 | S01 | H051 | 180.0° | 180.0° |
| C04 | C05 | S01 | C02 | 1.4° | 0.0° |
| C03 | C02 | S01 | C05 | 0.5° | 0.0° |
| C03 | C02 | C07 | O08 | 12.3° | 0.0° |
| C03 | C02 | C07 | S01 | 178.5° | 180.0° |
| C03 | C02 | C07 | O09 | 164.6° | 180.0° |
| C02 | C03 | C04 | H041 | 178.4° | 179.9° |
| C02 | C03 | C06 | H061 | 90.6° | 90.0° |
| C02 | C03 | C06 | H062 | 29.4° | 150.0° |
| C02 | C03 | C06 | H063 | 149.4° | 30.0° |
| C05 | S01 | C02 | C07 | 178.3° | 180.0° |
| S01 | C05 | C04 | H041 | 178.2° | 179.9° |
| O08 | C07 | C02 | O09 | 176.9° | 180.0° |
| O08 | C07 | C02 | S01 | 169.2° | 180.0° |
| O08 | C07 | O09 | H1 | 0.0° | 0.0° |
| C02 | C07 | O09 | H1 | 177.0° | 180.0° |
| S01 | C02 | C07 | O09 | 13.8° | 0.0° |
| C02 | S01 | C05 | H051 | 178.6° | 180.0° |
| H041 | C04 | C05 | H051 | 1.9° | 0.1° |
| H061 | C06 | H062 | H063 | 120.0° | 120.0° |
