EVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2A | C2 | sing | 1.51Å | 1.53Å | |
| N1 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.40Å | |
| C3 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| C5A | O4P | sing | 1.43Å | 1.47Å | |
| C4 | C4A | sing | 1.47Å | 1.55Å | |
| O4P | P | sing | 1.61Å | 1.59Å | |
| O3P | P | doub | 1.48Å | 1.52Å | |
| C4A | N | doub | 1.31Å | 1.30Å | |
| P | O1P | sing | 1.61Å | 1.55Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| N | CA | sing | 1.34Å | 1.45Å | |
| O | C | doub | 1.22Å | 1.26Å | |
| OG | CB | sing | 1.43Å | 1.39Å | |
| CA | C | sing | 1.38Å | 1.54Å | |
| CA | CB | sing | 1.51Å | 1.52Å | |
| C | OXT | sing | 1.35Å | 1.31Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| OG | H6 | sing | 0.97Å | 0.95Å | |
| O1P | H7 | sing | 0.97Å | 0.95Å | |
| C2A | H8 | sing | 1.09Å | 1.10Å | |
| C2A | H9 | sing | 1.09Å | 1.10Å | |
| C2A | H10 | sing | 1.09Å | 1.10Å | |
| O2P | H11 | sing | 0.97Å | 0.95Å | |
| C4A | H12 | sing | 1.08Å | 1.08Å | |
| C5A | H13 | sing | 1.09Å | 1.10Å | |
| C5A | H14 | sing | 1.09Å | 1.10Å | |
| OXT | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | C2 | N1 | 118.9° | 119.6° |
| C2A | C2 | C3 | 120.1° | 119.5° |
| C2 | C2A | H8 | 109.5° | 109.4° |
| C2 | C2A | H9 | 109.5° | 109.5° |
| C2 | C2A | H10 | 109.4° | 109.5° |
| C6 | N1 | C2 | 121.5° | 122.2° |
| N1 | C6 | C5 | 122.8° | 121.1° |
| N1 | C6 | H2 | 118.6° | 119.5° |
| N1 | C2 | C3 | 121.0° | 120.9° |
| C6 | C5 | C5A | 119.9° | 120.5° |
| C6 | C5 | C4 | 117.1° | 119.0° |
| C5 | C6 | H2 | 118.6° | 119.4° |
| C2 | C3 | O3 | 120.8° | 120.6° |
| C2 | C3 | C4 | 118.6° | 118.8° |
| C5A | C5 | C4 | 122.9° | 120.5° |
| C5 | C5A | O4P | 112.3° | 109.5° |
| C5 | C5A | H13 | 108.8° | 109.5° |
| C5 | C5A | H14 | 108.8° | 109.5° |
| C5 | C4 | C3 | 119.0° | 118.0° |
| C5 | C4 | C4A | 121.4° | 121.0° |
| O3 | C3 | C4 | 120.5° | 120.6° |
| C3 | O3 | H1 | 109.5° | 114.0° |
| C3 | C4 | C4A | 119.6° | 121.0° |
| C5A | O4P | P | 117.4° | 123.0° |
| O4P | C5A | H13 | 108.7° | 109.5° |
| O4P | C5A | H14 | 108.7° | 109.5° |
| C4 | C4A | N | 117.4° | 120.0° |
| C4 | C4A | H12 | 121.3° | 120.0° |
| O4P | P | O3P | 108.5° | 109.5° |
| O4P | P | O1P | 109.3° | 109.5° |
| O4P | P | O2P | 107.9° | 109.5° |
| O3P | P | O1P | 113.0° | 109.5° |
| O3P | P | O2P | 108.5° | 109.4° |
| C4A | N | CA | 123.0° | 120.0° |
| N | C4A | H12 | 121.3° | 120.0° |
| O1P | P | O2P | 109.5° | 109.5° |
| P | O1P | H7 | 109.5° | 114.0° |
| P | O2P | H11 | 109.5° | 114.0° |
| N | CA | C | 110.8° | 120.0° |
| N | CA | CB | 108.6° | 120.0° |
| O | C | CA | 122.4° | 120.0° |
| O | C | OXT | 115.5° | 120.0° |
| OG | CB | CA | 110.8° | 109.5° |
| OG | CB | H4 | 109.1° | 109.5° |
| OG | CB | H5 | 109.1° | 109.5° |
| CB | OG | H6 | 109.5° | 114.0° |
| C | CA | CB | 115.3° | 120.0° |
| CA | C | OXT | 122.1° | 120.0° |
| CA | CB | H4 | 109.1° | 109.5° |
| CA | CB | H5 | 109.2° | 109.5° |
| C | OXT | H15 | 109.5° | 114.0° |
| H4 | CB | H5 | 109.5° | 109.4° |
| H8 | C2A | H9 | 109.5° | 109.5° |
| H8 | C2A | H10 | 109.5° | 109.4° |
| H9 | C2A | H10 | 109.4° | 109.5° |
| H13 | C5A | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2A | C2 | N1 | C6 | 179.7° | 180.0° |
| C2A | C2 | N1 | C3 | 179.8° | 179.9° |
| C2A | C2 | C3 | O3 | 0.7° | 0.0° |
| C2A | C2 | C3 | C4 | 179.8° | 180.0° |
| C2 | C2A | H8 | H9 | 120.0° | 120.1° |
| C2 | C2A | H8 | H10 | 120.0° | 119.9° |
| C2 | C2A | H9 | H10 | 119.9° | 120.0° |
| N1 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | N1 | C2 | C3 | 0.0° | 0.1° |
| N1 | C6 | C5 | C5A | 178.4° | 180.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| N1 | C2 | C3 | O3 | 179.1° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | N1 | C6 | H2 | 179.7° | 180.0° |
| N1 | C2 | C2A | H8 | 0.0° | 90.0° |
| N1 | C2 | C2A | H9 | 120.0° | 150.0° |
| N1 | C2 | C2A | H10 | 120.0° | 29.9° |
| C6 | C5 | C5A | C4 | 177.6° | 179.9° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C6 | C5 | C5A | O4P | 115.6° | 0.0° |
| C6 | C5 | C4 | C4A | 178.2° | 180.0° |
| C6 | C5 | C5A | H13 | 4.8° | 120.0° |
| C6 | C5 | C5A | H14 | 123.9° | 120.1° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | O3 | C4 | 179.1° | 179.9° |
| C2 | C3 | C4 | C4A | 178.5° | 180.0° |
| C2 | C3 | O3 | H1 | 180.0° | 90.0° |
| C3 | C2 | C2A | H8 | 179.8° | 90.1° |
| C3 | C2 | C2A | H9 | 59.7° | 30.0° |
| C3 | C2 | C2A | H10 | 60.2° | 150.0° |
| C5A | C5 | C4 | C3 | 178.3° | 180.0° |
| C5 | C5A | O4P | H13 | 120.4° | 120.0° |
| C5 | C5A | O4P | H14 | 120.4° | 120.0° |
| C5A | C5 | C4 | C4A | 0.5° | 0.0° |
| C5 | C5A | O4P | P | 151.2° | 180.0° |
| C5A | C5 | C6 | H2 | 1.6° | 0.0° |
| C5 | C5A | H13 | H14 | 118.7° | 120.0° |
| C5 | C4 | C3 | O3 | 178.7° | 180.0° |
| C5 | C4 | C3 | C4A | 178.9° | 180.0° |
| C4 | C5 | C5A | O4P | 66.8° | 180.0° |
| C5 | C4 | C4A | N | 129.6° | 180.0° |
| C4 | C5 | C6 | H2 | 179.4° | 180.0° |
| C5 | C4 | C4A | H12 | 50.4° | 0.0° |
| C4 | C5 | C5A | H13 | 172.8° | 60.0° |
| C4 | C5 | C5A | H14 | 53.6° | 60.0° |
| O3 | C3 | C4 | C4A | 2.4° | 0.0° |
| C3 | C4 | C4A | N | 49.2° | 0.0° |
| C4 | C3 | O3 | H1 | 0.9° | 89.9° |
| C3 | C4 | C4A | H12 | 130.8° | 180.0° |
| C5A | O4P | P | O3P | 44.4° | 55.0° |
| C5A | O4P | P | O1P | 168.0° | 65.0° |
| C5A | O4P | P | O2P | 73.0° | 175.0° |
| O4P | C5A | H13 | H14 | 118.7° | 120.0° |
| C4 | C4A | N | H12 | 180.0° | 180.0° |
| C4 | C4A | N | CA | 179.5° | 180.0° |
| O4P | P | O3P | O1P | 121.4° | 120.0° |
| O4P | P | O3P | O2P | 116.9° | 120.0° |
| O4P | P | O1P | O2P | 118.0° | 120.0° |
| O4P | P | O1P | H7 | 120.9° | 60.0° |
| O4P | P | O2P | H11 | 117.4° | 180.0° |
| P | O4P | C5A | H13 | 88.4° | 60.0° |
| P | O4P | C5A | H14 | 30.7° | 60.0° |
| O3P | P | O1P | O2P | 121.1° | 120.0° |
| O3P | P | O1P | H7 | 0.0° | 180.0° |
| O3P | P | O2P | H11 | 0.0° | 60.0° |
| C4A | N | CA | C | 123.0° | 180.0° |
| C4A | N | CA | CB | 109.3° | 0.1° |
| O1P | P | O2P | H11 | 123.8° | 60.0° |
| O2P | P | O1P | H7 | 121.1° | 60.0° |
| N | CA | C | O | 25.7° | 0.2° |
| N | CA | CB | OG | 49.9° | 60.0° |
| N | CA | C | CB | 123.9° | 179.9° |
| N | CA | C | OXT | 154.3° | 180.0° |
| N | CA | CB | H4 | 70.3° | 180.0° |
| N | CA | CB | H5 | 170.1° | 60.1° |
| CA | N | C4A | H12 | 0.5° | 0.0° |
| O | C | CA | OXT | 180.0° | 179.8° |
| O | C | CA | CB | 149.6° | 179.7° |
| O | C | OXT | H15 | 0.0° | 0.1° |
| OG | CB | CA | C | 75.1° | 120.0° |
| OG | CB | CA | H4 | 120.2° | 120.0° |
| OG | CB | CA | H5 | 120.2° | 120.1° |
| OG | CB | H4 | H5 | 119.3° | 120.0° |
| C | CA | CB | H4 | 164.7° | 0.1° |
| C | CA | CB | H5 | 45.1° | 120.0° |
| CA | C | OXT | H15 | 180.0° | 179.7° |
| CB | CA | C | OXT | 30.4° | 0.1° |
| CA | CB | H4 | H5 | 119.4° | 119.9° |
| CA | CB | OG | H6 | 180.0° | 180.0° |
| H4 | CB | OG | H6 | 59.8° | 60.0° |
| H5 | CB | OG | H6 | 59.7° | 60.0° |
| H8 | C2A | H9 | H10 | 120.0° | 120.0° |
