60N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | P03 | doub | 1.48Å | 1.51Å | |
| O05 | P03 | sing | 1.61Å | 1.51Å | |
| P03 | O06 | sing | 1.61Å | 1.51Å | |
| P03 | C02 | sing | 1.82Å | 1.96Å | |
| O01 | C02 | sing | 1.43Å | 1.37Å | |
| C02 | C07 | sing | 1.51Å | 1.47Å | |
| C08 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | N15 | sing | 1.31Å | 1.34Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| N15 | C11 | doub | 1.33Å | 1.31Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.61Å | |
| C12 | O14 | doub | 1.21Å | 1.19Å | |
| C12 | O13 | sing | 1.35Å | 1.18Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| O05 | H4 | sing | 0.97Å | 0.95Å | |
| O06 | H5 | sing | 0.97Å | 0.95Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| O13 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | P03 | O05 | 113.5° | 109.4° |
| O04 | P03 | O06 | 115.6° | 109.5° |
| O04 | P03 | C02 | 103.2° | 109.4° |
| O05 | P03 | O06 | 116.2° | 109.5° |
| O05 | P03 | C02 | 103.3° | 109.5° |
| P03 | O05 | H4 | 109.5° | 114.0° |
| O06 | P03 | C02 | 102.3° | 109.5° |
| P03 | O06 | H5 | 109.5° | 114.0° |
| P03 | C02 | O01 | 109.3° | 109.4° |
| P03 | C02 | C07 | 108.9° | 109.5° |
| P03 | C02 | H3 | 104.9° | 109.5° |
| O01 | C02 | C07 | 111.8° | 109.4° |
| C02 | O01 | H2 | 109.5° | 114.0° |
| O01 | C02 | H3 | 111.6° | 109.5° |
| C02 | C07 | C08 | 118.1° | 119.5° |
| C02 | C07 | N15 | 118.8° | 119.6° |
| C07 | C02 | H3 | 110.0° | 109.5° |
| C07 | C08 | C09 | 117.8° | 119.3° |
| C08 | C07 | N15 | 123.0° | 120.9° |
| C07 | C08 | H6 | 121.1° | 120.3° |
| C08 | C09 | C10 | 117.3° | 118.5° |
| C09 | C08 | H6 | 121.1° | 120.3° |
| C08 | C09 | H7 | 121.4° | 120.7° |
| C07 | N15 | C11 | 120.5° | 121.7° |
| C09 | C10 | C11 | 120.5° | 119.0° |
| C09 | C10 | H1 | 119.7° | 120.4° |
| C10 | C09 | H7 | 121.4° | 120.8° |
| N15 | C11 | C10 | 120.8° | 120.6° |
| N15 | C11 | C12 | 121.6° | 119.7° |
| C10 | C11 | C12 | 117.6° | 119.7° |
| C11 | C10 | H1 | 119.8° | 120.5° |
| C11 | C12 | O14 | 121.8° | 120.0° |
| C11 | C12 | O13 | 115.2° | 120.0° |
| O14 | C12 | O13 | 122.7° | 120.0° |
| C12 | O13 | H8 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | P03 | O05 | O06 | 137.8° | 120.0° |
| O04 | P03 | O05 | C02 | 111.1° | 119.9° |
| O04 | P03 | O06 | C02 | 111.4° | 120.0° |
| O04 | P03 | C02 | O01 | 62.3° | 180.0° |
| O04 | P03 | C02 | C07 | 60.2° | 60.0° |
| O04 | P03 | C02 | H3 | 177.9° | 60.0° |
| O04 | P03 | O05 | H4 | 0.0° | 60.0° |
| O04 | P03 | O06 | H5 | 0.0° | 180.0° |
| O05 | P03 | O06 | C02 | 111.7° | 120.0° |
| O05 | P03 | C02 | O01 | 56.2° | 60.1° |
| O05 | P03 | C02 | C07 | 178.7° | 180.0° |
| O05 | P03 | C02 | H3 | 63.6° | 60.0° |
| O05 | P03 | O06 | H5 | 136.9° | 60.0° |
| O06 | P03 | C02 | O01 | 177.3° | 60.0° |
| O06 | P03 | C02 | C07 | 60.2° | 60.0° |
| O06 | P03 | C02 | H3 | 57.5° | 180.0° |
| O06 | P03 | O05 | H4 | 137.8° | 60.0° |
| P03 | C02 | O01 | C07 | 120.7° | 120.0° |
| P03 | C02 | O01 | H3 | 115.6° | 120.1° |
| P03 | C02 | C07 | H3 | 114.5° | 120.1° |
| P03 | C02 | C07 | C08 | 81.3° | 150.5° |
| P03 | C02 | C07 | N15 | 95.9° | 30.0° |
| P03 | C02 | O01 | H2 | 180.0° | 60.0° |
| C02 | P03 | O05 | H4 | 111.1° | 180.0° |
| C02 | P03 | O06 | H5 | 111.4° | 60.1° |
| O01 | C02 | C07 | H3 | 124.7° | 120.0° |
| O01 | C02 | C07 | C08 | 39.6° | 30.6° |
| O01 | C02 | C07 | N15 | 143.2° | 150.0° |
| C02 | C07 | C08 | N15 | 177.1° | 179.4° |
| C02 | C07 | C08 | C09 | 178.8° | 179.7° |
| C02 | C07 | N15 | C11 | 177.9° | 180.0° |
| C07 | C02 | O01 | H2 | 59.4° | 60.0° |
| C02 | C07 | C08 | H6 | 1.3° | 0.1° |
| C07 | C08 | C09 | H6 | 180.0° | 179.6° |
| C07 | C08 | C09 | C10 | 1.0° | 0.6° |
| C08 | C07 | N15 | C11 | 0.9° | 0.5° |
| C08 | C07 | C02 | H3 | 164.3° | 89.4° |
| C07 | C08 | C09 | H7 | 179.0° | 179.5° |
| C09 | C08 | C07 | N15 | 1.7° | 0.8° |
| C08 | C09 | C10 | H7 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.4° | 0.0° |
| C08 | C09 | C10 | H1 | 179.7° | 179.7° |
| C07 | N15 | C11 | C10 | 0.6° | 0.0° |
| C07 | N15 | C11 | C12 | 179.7° | 180.0° |
| N15 | C07 | C02 | H3 | 18.6° | 90.0° |
| N15 | C07 | C08 | H6 | 178.3° | 179.5° |
| C09 | C10 | C11 | N15 | 1.2° | 0.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 179.6° | 179.7° |
| C10 | C09 | C08 | H6 | 179.0° | 179.8° |
| N15 | C11 | C10 | C12 | 179.1° | 180.0° |
| N15 | C11 | C12 | O14 | 20.1° | 180.0° |
| N15 | C11 | C12 | O13 | 153.8° | 0.0° |
| N15 | C11 | C10 | H1 | 178.8° | 180.0° |
| C10 | C11 | C12 | O14 | 160.8° | 0.0° |
| C10 | C11 | C12 | O13 | 25.3° | 180.0° |
| C11 | C10 | C09 | H7 | 179.6° | 180.0° |
| C11 | C12 | O14 | O13 | 173.4° | 180.0° |
| C12 | C11 | C10 | H1 | 0.4° | 0.0° |
| C11 | C12 | O13 | H8 | 173.8° | 180.0° |
| O14 | C12 | O13 | H8 | 0.0° | 0.0° |
| H1 | C10 | C09 | H7 | 0.4° | 0.2° |
| H2 | O01 | C02 | H3 | 64.4° | 180.0° |
| H6 | C08 | C09 | H7 | 1.0° | 0.1° |
