60M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C14 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | N05 | doub | 1.33Å | 1.33Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.53Å | |
| C06 | N05 | sing | 1.32Å | 1.36Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.50Å | |
| O03 | C02 | doub | 1.21Å | 1.28Å | |
| C02 | O01 | sing | 1.35Å | 1.29Å | |
| C07 | P08 | sing | 1.82Å | 1.96Å | |
| O11 | P08 | doub | 1.48Å | 1.53Å | |
| P08 | O09 | sing | 1.61Å | 1.52Å | |
| P08 | O10 | sing | 1.61Å | 1.53Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| O01 | H3 | sing | 0.97Å | 0.95Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| O09 | H6 | sing | 0.97Å | 0.95Å | |
| O10 | H7 | sing | 0.97Å | 0.95Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 118.5° | 118.5° |
| C13 | C14 | C04 | 116.9° | 119.1° |
| C14 | C13 | H1 | 120.7° | 120.8° |
| C13 | C14 | H2 | 121.5° | 120.4° |
| C13 | C12 | C06 | 120.2° | 119.4° |
| C12 | C13 | H1 | 120.8° | 120.8° |
| C13 | C12 | H8 | 119.9° | 120.3° |
| C14 | C04 | N05 | 123.9° | 120.6° |
| C14 | C04 | C02 | 119.3° | 119.7° |
| C04 | C14 | H2 | 121.5° | 120.5° |
| C12 | C06 | N05 | 118.9° | 120.9° |
| C12 | C06 | C07 | 121.0° | 119.6° |
| C06 | C12 | H8 | 119.9° | 120.3° |
| N05 | C04 | C02 | 116.8° | 119.7° |
| C04 | N05 | C06 | 121.5° | 121.6° |
| C04 | C02 | O03 | 121.9° | 120.0° |
| C04 | C02 | O01 | 119.1° | 120.0° |
| N05 | C06 | C07 | 120.0° | 119.5° |
| C06 | C07 | P08 | 113.3° | 109.5° |
| C06 | C07 | H4 | 108.5° | 109.4° |
| C06 | C07 | H5 | 108.5° | 109.5° |
| O03 | C02 | O01 | 119.0° | 120.0° |
| C02 | O01 | H3 | 109.5° | 116.9° |
| C07 | P08 | O11 | 104.6° | 109.5° |
| C07 | P08 | O09 | 101.6° | 109.5° |
| C07 | P08 | O10 | 107.8° | 109.5° |
| P08 | C07 | H4 | 108.5° | 109.5° |
| P08 | C07 | H5 | 108.5° | 109.5° |
| O11 | P08 | O09 | 115.2° | 109.4° |
| O11 | P08 | O10 | 112.3° | 109.5° |
| O09 | P08 | O10 | 113.9° | 109.5° |
| P08 | O09 | H6 | 109.5° | 114.1° |
| P08 | O10 | H7 | 109.5° | 114.0° |
| H4 | C07 | H5 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H1 | 180.0° | 179.8° |
| C13 | C14 | C04 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | C06 | 0.3° | 0.0° |
| C13 | C14 | C04 | N05 | 0.2° | 0.1° |
| C13 | C14 | C04 | C02 | 179.4° | 179.9° |
| C14 | C13 | C12 | H8 | 179.7° | 180.0° |
| C12 | C13 | C14 | C04 | 0.2° | 0.1° |
| C13 | C12 | C06 | H8 | 180.0° | 180.0° |
| C13 | C12 | C06 | N05 | 0.4° | 0.0° |
| C13 | C12 | C06 | C07 | 179.6° | 180.0° |
| C12 | C13 | C14 | H2 | 179.9° | 180.0° |
| C14 | C04 | N05 | C02 | 179.3° | 180.0° |
| C14 | C04 | N05 | C06 | 0.3° | 0.1° |
| C14 | C04 | C02 | O03 | 16.5° | 0.0° |
| C14 | C04 | C02 | O01 | 165.0° | 180.0° |
| C04 | C14 | C13 | H1 | 179.8° | 179.7° |
| C12 | C06 | N05 | C04 | 0.4° | 0.0° |
| C12 | C06 | N05 | C07 | 179.1° | 180.0° |
| C12 | C06 | C07 | P08 | 89.2° | 90.0° |
| C06 | C12 | C13 | H1 | 179.7° | 179.8° |
| C12 | C06 | C07 | H4 | 31.3° | 30.0° |
| C12 | C06 | C07 | H5 | 150.2° | 150.0° |
| C04 | N05 | C06 | C07 | 179.5° | 180.0° |
| N05 | C04 | C02 | O03 | 162.9° | 180.0° |
| N05 | C04 | C02 | O01 | 15.7° | 0.0° |
| N05 | C04 | C14 | H2 | 179.9° | 180.0° |
| C02 | C04 | N05 | C06 | 179.6° | 180.0° |
| C04 | C02 | O03 | O01 | 178.5° | 180.0° |
| C02 | C04 | C14 | H2 | 0.6° | 0.0° |
| C04 | C02 | O01 | H3 | 178.6° | 180.0° |
| N05 | C06 | C07 | P08 | 89.9° | 90.0° |
| N05 | C06 | C07 | H4 | 149.6° | 150.0° |
| N05 | C06 | C07 | H5 | 30.7° | 30.0° |
| N05 | C06 | C12 | H8 | 179.6° | 180.0° |
| C06 | C07 | P08 | H4 | 120.6° | 120.0° |
| C06 | C07 | P08 | H5 | 120.6° | 120.0° |
| C06 | C07 | P08 | O11 | 73.7° | 55.0° |
| C06 | C07 | P08 | O09 | 46.5° | 175.0° |
| C06 | C07 | P08 | O10 | 166.5° | 65.0° |
| C06 | C07 | H4 | H5 | 118.3° | 120.0° |
| C07 | C06 | C12 | H8 | 0.4° | 0.0° |
| O03 | C02 | O01 | H3 | 0.0° | 0.0° |
| C07 | P08 | O11 | O09 | 110.7° | 120.0° |
| C07 | P08 | O11 | O10 | 116.7° | 120.0° |
| C07 | P08 | O09 | O10 | 115.6° | 120.0° |
| P08 | C07 | H4 | H5 | 118.3° | 120.0° |
| C07 | P08 | O09 | H6 | 112.5° | 179.9° |
| C07 | P08 | O10 | H7 | 114.8° | 60.0° |
| O11 | P08 | O09 | O10 | 131.9° | 120.0° |
| O11 | P08 | C07 | H4 | 46.8° | 65.0° |
| O11 | P08 | C07 | H5 | 165.7° | 175.0° |
| O11 | P08 | O09 | H6 | 0.0° | 60.0° |
| O11 | P08 | O10 | H7 | 0.0° | 180.0° |
| O09 | P08 | C07 | H4 | 167.1° | 55.0° |
| O09 | P08 | C07 | H5 | 74.1° | 65.0° |
| O09 | P08 | O10 | H7 | 133.3° | 60.0° |
| O10 | P08 | C07 | H4 | 72.9° | 175.0° |
| O10 | P08 | C07 | H5 | 45.9° | 55.0° |
| O10 | P08 | O09 | H6 | 131.9° | 60.0° |
| H1 | C13 | C14 | H2 | 0.1° | 0.2° |
| H1 | C13 | C12 | H8 | 0.3° | 0.2° |
