EOI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| C2 | N | sing | 1.46Å | 1.46Å | |
| N | C3 | sing | 1.36Å | 1.37Å | Aromatic |
| N | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | O | sing | 1.43Å | 1.44Å | |
| O | C1 | sing | 1.43Å | 1.44Å | |
| C8 | P | sing | 1.82Å | 1.85Å | |
| S | P | sing | 2.12Å | 1.98Å | |
| P | O2 | sing | 1.61Å | 1.59Å | |
| P | O1 | doub | 1.48Å | 1.48Å | |
| S | HS | sing | 1.34Å | 1.30Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| N1 | C4 | sing | 1.35Å | 1.39Å | Aromatic |
| O5 | P1 | sing | 1.61Å | 1.57Å | |
| O3 | P1 | doub | 1.48Å | 1.52Å | |
| O2 | P1 | sing | 1.61Å | 1.60Å | |
| P1 | O4 | sing | 1.61Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.33Å | 1.34Å | Aromatic |
| N2 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| O8 | P2 | doub | 1.48Å | 1.53Å | |
| O6 | P2 | sing | 1.61Å | 1.52Å | |
| P2 | O7 | sing | 1.61Å | 1.54Å | |
| P2 | O5 | sing | 1.61Å | 1.60Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C7 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | N4 | sing | 1.38Å | 1.34Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | HA | 109.5° | 109.5° |
| C1 | C | HB | 109.5° | 109.5° |
| C | C1 | O | 105.4° | 109.5° |
| C | C1 | C2 | 113.6° | 109.5° |
| C | C1 | H1 | 108.9° | 109.5° |
| H | C | HA | 109.5° | 109.5° |
| H | C | HB | 109.5° | 109.4° |
| HA | C | HB | 109.5° | 109.5° |
| C2 | N | C3 | 126.8° | 126.2° |
| C2 | N | C5 | 127.5° | 126.3° |
| N | C2 | C1 | 115.3° | 109.5° |
| N | C2 | H2 | 108.0° | 109.5° |
| N | C2 | H2A | 108.0° | 109.4° |
| C3 | N | C5 | 105.6° | 107.5° |
| N | C3 | N1 | 114.3° | 109.9° |
| N | C3 | H3 | 122.9° | 125.0° |
| N | C5 | N2 | 127.3° | 134.9° |
| N | C5 | C4 | 105.9° | 106.0° |
| C8 | O | C1 | 117.8° | 114.0° |
| O | C8 | P | 112.8° | 109.4° |
| O | C8 | H8 | 108.7° | 109.5° |
| O | C8 | H8A | 108.6° | 109.5° |
| O | C1 | C2 | 111.0° | 109.5° |
| O | C1 | H1 | 109.8° | 109.4° |
| C8 | P | S | 102.1° | 109.5° |
| C8 | P | O2 | 106.5° | 109.5° |
| C8 | P | O1 | 117.1° | 109.5° |
| P | C8 | H8 | 108.6° | 109.5° |
| P | C8 | H8A | 108.7° | 109.5° |
| S | P | O2 | 98.0° | 109.5° |
| S | P | O1 | 118.1° | 109.5° |
| P | S | HS | 102.0° | 103.0° |
| O2 | P | O1 | 112.8° | 109.5° |
| P | O2 | P1 | 163.7° | 134.0° |
| C2 | C1 | H1 | 108.1° | 109.4° |
| C1 | C2 | H2 | 108.0° | 109.5° |
| C1 | C2 | H2A | 108.0° | 109.5° |
| C3 | N1 | C4 | 103.6° | 109.4° |
| N1 | C3 | H3 | 122.8° | 125.1° |
| N1 | C4 | C5 | 110.5° | 107.2° |
| N1 | C4 | C7 | 132.6° | 134.6° |
| O5 | P1 | O3 | 105.9° | 109.5° |
| O5 | P1 | O2 | 102.1° | 109.5° |
| O5 | P1 | O4 | 113.7° | 109.5° |
| P1 | O5 | P2 | 171.2° | 134.0° |
| O3 | P1 | O2 | 102.8° | 109.5° |
| O3 | P1 | O4 | 116.8° | 109.5° |
| O2 | P1 | O4 | 113.9° | 109.4° |
| P1 | O4 | HO4 | 109.5° | 114.1° |
| H2 | C2 | H2A | 109.5° | 109.4° |
| C5 | N2 | C6 | 111.0° | 120.7° |
| N2 | C5 | C4 | 126.7° | 119.1° |
| N2 | C6 | N3 | 128.9° | 122.4° |
| N2 | C6 | H6 | 115.6° | 118.8° |
| O8 | P2 | O6 | 113.2° | 109.5° |
| O8 | P2 | O7 | 114.6° | 109.5° |
| O8 | P2 | O5 | 118.4° | 109.5° |
| O6 | P2 | O7 | 109.1° | 109.5° |
| O6 | P2 | O5 | 101.7° | 109.5° |
| P2 | O6 | HO6 | 109.5° | 114.0° |
| O7 | P2 | O5 | 98.2° | 109.4° |
| P2 | O7 | HO7 | 109.5° | 114.0° |
| C6 | N3 | C7 | 118.8° | 121.2° |
| N3 | C6 | H6 | 115.6° | 118.8° |
| N3 | C7 | C4 | 117.6° | 118.4° |
| N3 | C7 | N4 | 118.6° | 120.8° |
| C5 | C4 | C7 | 116.9° | 118.2° |
| C4 | C7 | N4 | 123.8° | 120.8° |
| C7 | N4 | HN4 | 109.5° | 120.0° |
| C7 | N4 | HN4A | 109.5° | 120.0° |
| HN4 | N4 | HN4A | 109.5° | 120.0° |
| H8 | C8 | H8A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | H | HA | 120.0° | 120.0° |
| C1 | C | H | HB | 120.0° | 120.0° |
| C1 | C | HA | HB | 120.0° | 120.1° |
| C | C1 | C2 | N | 71.4° | 175.0° |
| C | C1 | O | C8 | 129.3° | 83.3° |
| C | C1 | O | C2 | 123.4° | 120.0° |
| C | C1 | O | H1 | 117.1° | 120.1° |
| C | C1 | C2 | H1 | 120.9° | 120.0° |
| C | C1 | C2 | H2 | 167.8° | 54.9° |
| C | C1 | C2 | H2A | 49.4° | 65.0° |
| H | C | HA | HB | 120.0° | 120.0° |
| H | C | C1 | O | 180.0° | 55.1° |
| H | C | C1 | C2 | 58.3° | 175.1° |
| H | C | C1 | H1 | 62.2° | 65.0° |
| HA | C | C1 | O | 60.0° | 175.1° |
| HA | C | C1 | C2 | 61.7° | 64.9° |
| HA | C | C1 | H1 | 177.8° | 55.0° |
| HB | C | C1 | O | 60.0° | 64.9° |
| HB | C | C1 | C2 | 178.3° | 55.1° |
| HB | C | C1 | H1 | 57.8° | 175.1° |
| C2 | N | C3 | C5 | 177.6° | 179.7° |
| N | C2 | C1 | O | 47.2° | 64.9° |
| N | C2 | C1 | H2 | 120.8° | 120.1° |
| N | C2 | C1 | H2A | 120.8° | 120.0° |
| N | C2 | C1 | H1 | 167.7° | 55.0° |
| C2 | N | C3 | N1 | 176.8° | 179.7° |
| N | C2 | H2 | H2A | 117.3° | 119.9° |
| C2 | N | C5 | N2 | 2.3° | 0.3° |
| C2 | N | C3 | H3 | 3.2° | 0.3° |
| C2 | N | C5 | C4 | 176.9° | 179.7° |
| C3 | N | C2 | C1 | 80.2° | 95.0° |
| N | C3 | N1 | H3 | 180.0° | 180.0° |
| N | C3 | N1 | C4 | 0.6° | 0.0° |
| C3 | N | C2 | H2 | 40.7° | 25.1° |
| C3 | N | C2 | H2A | 159.0° | 145.0° |
| C3 | N | C5 | N2 | 179.9° | 180.0° |
| C3 | N | C5 | C4 | 0.7° | 0.0° |
| C5 | N | C2 | C1 | 96.9° | 84.7° |
| C5 | N | C3 | N1 | 0.9° | 0.0° |
| N | C5 | C4 | N1 | 0.3° | 0.0° |
| C5 | N | C2 | H2 | 142.2° | 155.3° |
| C5 | N | C2 | H2A | 23.9° | 35.3° |
| N | C5 | N2 | C4 | 179.0° | 180.0° |
| N | C5 | N2 | C6 | 178.8° | 180.0° |
| C5 | N | C3 | H3 | 179.1° | 180.0° |
| N | C5 | C4 | C7 | 179.2° | 180.0° |
| O | C8 | P | H8 | 120.5° | 120.0° |
| O | C8 | P | H8A | 120.5° | 120.0° |
| O | C8 | P | S | 174.7° | 65.2° |
| O | C8 | P | O2 | 83.1° | 174.8° |
| O | C8 | P | O1 | 44.1° | 54.8° |
| C8 | O | C1 | C2 | 107.3° | 156.6° |
| C8 | O | C1 | H1 | 12.1° | 36.7° |
| O | C8 | H8 | H8A | 118.5° | 120.0° |
| C1 | O | C8 | P | 82.3° | 76.7° |
| O | C1 | C2 | H1 | 120.5° | 119.9° |
| O | C1 | C2 | H2 | 73.6° | 175.0° |
| O | C1 | C2 | H2A | 168.0° | 55.0° |
| C1 | O | C8 | H8 | 38.2° | 43.3° |
| C1 | O | C8 | H8A | 157.2° | 163.3° |
| C8 | P | S | O2 | 108.9° | 120.0° |
| C8 | P | S | O1 | 130.0° | 120.0° |
| C8 | P | O2 | O1 | 129.7° | 120.0° |
| C8 | P | S | HS | 130.0° | 60.0° |
| C8 | P | O2 | P1 | 56.1° | 180.0° |
| P | C8 | H8 | H8A | 118.5° | 120.0° |
| S | P | O2 | O1 | 125.0° | 120.0° |
| S | P | O2 | P1 | 49.2° | 60.0° |
| S | P | C8 | H8 | 64.8° | 174.8° |
| S | P | C8 | H8A | 54.2° | 54.7° |
| O2 | P | S | HS | 121.1° | 60.0° |
| P | O2 | P1 | O5 | 44.8° | 160.0° |
| P | O2 | P1 | O3 | 64.9° | 40.0° |
| P | O2 | P1 | O4 | 167.8° | 80.0° |
| O2 | P | C8 | H8 | 37.4° | 54.8° |
| O2 | P | C8 | H8A | 156.4° | 65.3° |
| O1 | P | S | HS | 0.0° | 180.0° |
| O1 | P | O2 | P1 | 174.2° | 60.0° |
| O1 | P | C8 | H8 | 164.6° | 65.2° |
| O1 | P | C8 | H8A | 76.4° | 174.8° |
| C1 | C2 | H2 | H2A | 117.3° | 120.0° |
| H1 | C1 | C2 | H2 | 46.8° | 65.1° |
| H1 | C1 | C2 | H2A | 71.5° | 175.0° |
| C3 | N1 | C4 | C5 | 0.2° | 0.0° |
| C3 | N1 | C4 | C7 | 179.6° | 180.0° |
| N1 | C4 | C5 | N2 | 179.5° | 180.0° |
| C4 | N1 | C3 | H3 | 179.4° | 180.0° |
| N1 | C4 | C7 | N3 | 179.1° | 179.9° |
| N1 | C4 | C5 | C7 | 179.5° | 179.9° |
| N1 | C4 | C7 | N4 | 1.3° | 0.1° |
| O5 | P1 | O3 | O2 | 106.8° | 120.0° |
| O5 | P1 | O3 | O4 | 127.7° | 120.0° |
| O5 | P1 | O2 | O4 | 123.0° | 120.0° |
| P1 | O5 | P2 | O8 | 92.4° | 40.0° |
| P1 | O5 | P2 | O6 | 32.3° | 80.0° |
| P1 | O5 | P2 | O7 | 143.8° | 160.0° |
| O5 | P1 | O4 | HO4 | 123.9° | 59.9° |
| O3 | P1 | O2 | O4 | 127.3° | 120.0° |
| O3 | P1 | O5 | P2 | 15.5° | 45.0° |
| O3 | P1 | O4 | HO4 | 0.0° | 179.9° |
| O2 | P1 | O5 | P2 | 91.8° | 165.0° |
| O2 | P1 | O4 | HO4 | 119.7° | 60.1° |
| O4 | P1 | O5 | P2 | 145.1° | 75.0° |
| C5 | N2 | C6 | N3 | 0.3° | 0.0° |
| N2 | C5 | C4 | C7 | 0.0° | 0.1° |
| C5 | N2 | C6 | H6 | 179.7° | 179.9° |
| N2 | C6 | N3 | H6 | 180.0° | 180.0° |
| N2 | C6 | N3 | C7 | 0.0° | 0.1° |
| C6 | N2 | C5 | C4 | 0.3° | 0.0° |
| O8 | P2 | O6 | O7 | 128.9° | 120.0° |
| O8 | P2 | O6 | O5 | 128.1° | 120.0° |
| O8 | P2 | O7 | O5 | 126.5° | 120.0° |
| O8 | P2 | O6 | HO6 | 0.0° | 179.9° |
| O8 | P2 | O7 | HO7 | 0.0° | 60.1° |
| O6 | P2 | O7 | O5 | 105.4° | 120.0° |
| O6 | P2 | O7 | HO7 | 128.1° | 60.0° |
| O7 | P2 | O6 | HO6 | 128.8° | 60.0° |
| O5 | P2 | O6 | HO6 | 128.2° | 59.9° |
| O5 | P2 | O7 | HO7 | 126.5° | 180.0° |
| C6 | N3 | C7 | C4 | 0.2° | 0.2° |
| C6 | N3 | C7 | N4 | 179.3° | 180.0° |
| N3 | C7 | C4 | C5 | 0.2° | 0.1° |
| N3 | C7 | C4 | N4 | 179.5° | 179.9° |
| N3 | C7 | N4 | HN4 | 0.0° | 0.1° |
| N3 | C7 | N4 | HN4A | 120.0° | 179.9° |
| C7 | N3 | C6 | H6 | 179.9° | 179.9° |
| C5 | C4 | C7 | N4 | 179.3° | 180.0° |
| C4 | C7 | N4 | HN4 | 179.5° | 179.9° |
| C4 | C7 | N4 | HN4A | 59.5° | 0.1° |
| C7 | N4 | HN4 | HN4A | 120.0° | 180.0° |
