3NM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N | doub | 1.31Å | 1.45Å | Aromatic |
| N | C2 | sing | 1.31Å | 1.61Å | Aromatic |
| O4 | P | doub | 1.48Å | 1.56Å | |
| O6 | P | sing | 1.61Å | 1.53Å | |
| P | O3 | sing | 1.61Å | 1.56Å | |
| P | O5 | sing | 1.61Å | 1.57Å | |
| C3 | S | sing | 1.76Å | 1.69Å | Aromatic |
| S | C5 | sing | 1.71Å | 1.50Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| O1 | C4 | doub | 1.21Å | 1.38Å | |
| C5 | C2 | doub | 1.34Å | 1.58Å | Aromatic |
| O2 | C4 | sing | 1.35Å | 1.23Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.47Å | 1.50Å | |
| C7 | O3 | sing | 1.43Å | 1.37Å | |
| C5 | C6 | sing | 1.51Å | 1.48Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C7 | C6 | sing | 1.53Å | 1.47Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | C2 | 109.5° | 115.9° |
| N | C3 | S | 106.5° | 108.9° |
| N | C3 | C4 | 125.2° | 125.5° |
| N | C2 | C1 | 126.8° | 122.1° |
| N | C2 | C5 | 108.3° | 115.8° |
| O4 | P | O6 | 109.9° | 109.5° |
| O4 | P | O3 | 108.6° | 109.5° |
| O4 | P | O5 | 110.2° | 109.5° |
| O6 | P | O3 | 109.4° | 109.5° |
| O6 | P | O5 | 110.6° | 109.5° |
| P | O6 | HO6 | 109.5° | 114.0° |
| O3 | P | O5 | 108.1° | 109.5° |
| P | O3 | C7 | 119.5° | 123.0° |
| P | O5 | HO5 | 109.5° | 114.0° |
| C3 | S | C5 | 108.9° | 90.3° |
| S | C3 | C4 | 128.2° | 125.5° |
| S | C5 | C2 | 106.7° | 109.1° |
| S | C5 | C6 | 129.3° | 125.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C1 | C2 | C5 | 124.9° | 122.1° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| O1 | C4 | O2 | 119.2° | 120.0° |
| O1 | C4 | C3 | 117.9° | 120.0° |
| C2 | C5 | C6 | 124.0° | 125.5° |
| C4 | O2 | HO2 | 109.5° | 117.0° |
| O2 | C4 | C3 | 122.4° | 120.0° |
| O3 | C7 | C6 | 113.9° | 109.4° |
| O3 | C7 | H7 | 108.0° | 109.4° |
| O3 | C7 | H7A | 108.1° | 109.5° |
| C5 | C6 | C7 | 120.7° | 109.4° |
| C5 | C6 | H6 | 105.9° | 109.5° |
| C5 | C6 | H6A | 105.9° | 109.5° |
| C7 | C6 | H6 | 105.9° | 109.5° |
| C7 | C6 | H6A | 105.9° | 109.5° |
| C6 | C7 | H7 | 108.0° | 109.5° |
| C6 | C7 | H7A | 108.0° | 109.5° |
| H6 | C6 | H6A | 112.8° | 109.5° |
| H7 | C7 | H7A | 110.9° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C3 | S | C4 | 178.1° | 180.0° |
| N | C3 | S | C5 | 0.0° | 0.0° |
| C3 | N | C2 | C1 | 178.9° | 180.0° |
| N | C3 | C4 | O1 | 156.1° | 180.0° |
| C3 | N | C2 | C5 | 0.2° | 0.1° |
| N | C3 | C4 | O2 | 32.4° | 0.0° |
| C2 | N | C3 | S | 0.1° | 0.0° |
| N | C2 | C5 | S | 0.2° | 0.1° |
| N | C2 | C1 | C5 | 179.0° | 179.9° |
| N | C2 | C1 | H1 | 0.0° | 89.9° |
| N | C2 | C1 | H1A | 120.0° | 150.1° |
| N | C2 | C1 | H1B | 120.0° | 30.1° |
| C2 | N | C3 | C4 | 178.1° | 180.0° |
| N | C2 | C5 | C6 | 179.2° | 180.0° |
| O4 | P | O6 | O3 | 119.1° | 120.0° |
| O4 | P | O6 | O5 | 121.9° | 120.0° |
| O4 | P | O3 | O5 | 119.5° | 120.0° |
| O4 | P | O3 | C7 | 12.0° | 55.0° |
| O4 | P | O5 | HO5 | 0.0° | 60.0° |
| O4 | P | O6 | HO6 | 0.0° | 180.0° |
| O6 | P | O3 | O5 | 120.5° | 120.0° |
| O6 | P | O3 | C7 | 132.0° | 65.0° |
| O6 | P | O5 | HO5 | 121.7° | 60.0° |
| O3 | P | O5 | HO5 | 118.5° | 180.0° |
| P | O3 | C7 | C6 | 149.2° | 180.0° |
| O3 | P | O6 | HO6 | 119.1° | 60.0° |
| P | O3 | C7 | H7 | 90.8° | 60.0° |
| P | O3 | C7 | H7A | 29.2° | 60.0° |
| O5 | P | O3 | C7 | 107.5° | 175.0° |
| O5 | P | O6 | HO6 | 121.9° | 60.0° |
| S | C3 | C4 | O1 | 26.1° | 0.0° |
| C3 | S | C5 | C2 | 0.2° | 0.0° |
| S | C3 | C4 | O2 | 145.4° | 180.0° |
| C3 | S | C5 | C6 | 179.2° | 180.0° |
| S | C5 | C2 | C1 | 178.9° | 180.0° |
| S | C5 | C2 | C6 | 179.4° | 180.0° |
| C5 | S | C3 | C4 | 178.2° | 180.0° |
| S | C5 | C6 | C7 | 21.0° | 90.0° |
| S | C5 | C6 | H6 | 141.0° | 30.0° |
| S | C5 | C6 | H6A | 99.0° | 150.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 119.9° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C5 | C6 | 1.7° | 0.1° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C5 | 179.0° | 90.0° |
| H1A | C1 | C2 | C5 | 61.0° | 30.0° |
| H1B | C1 | C2 | C5 | 59.0° | 150.0° |
| O1 | C4 | O2 | C3 | 171.4° | 180.0° |
| O1 | C4 | O2 | HO2 | 0.0° | 0.0° |
| C2 | C5 | C6 | C7 | 159.8° | 90.0° |
| C2 | C5 | C6 | H6 | 39.8° | 150.0° |
| C2 | C5 | C6 | H6A | 80.2° | 29.9° |
| HO2 | O2 | C4 | C3 | 171.4° | 180.0° |
| O3 | C7 | C6 | C5 | 131.2° | 180.0° |
| O3 | C7 | C6 | H7 | 120.0° | 119.9° |
| O3 | C7 | C6 | H7A | 120.0° | 120.0° |
| O3 | C7 | C6 | H6 | 11.2° | 60.0° |
| O3 | C7 | C6 | H6A | 108.8° | 60.0° |
| O3 | C7 | H7 | H7A | 118.2° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 115.4° | 120.0° |
| C5 | C6 | C7 | H7 | 11.2° | 60.1° |
| C5 | C6 | C7 | H7A | 108.8° | 60.0° |
| C7 | C6 | H6 | H6A | 115.3° | 120.0° |
| C6 | C7 | H7 | H7A | 118.2° | 120.1° |
| H6 | C6 | C7 | H7 | 108.8° | 59.9° |
| H6 | C6 | C7 | H7A | 131.2° | 180.0° |
| H6A | C6 | C7 | H7 | 131.3° | 179.9° |
| H6A | C6 | C7 | H7A | 11.3° | 60.0° |
