E1O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2A | C2 | sing | 1.51Å | 1.41Å | |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.39Å | Aromatic |
| O3 | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C4A | sing | 1.48Å | 1.41Å | |
| C5 | C5A | sing | 1.51Å | 1.42Å | |
| C4A | N | doub | 1.29Å | 1.36Å | |
| OXT | C | doub | 1.21Å | 1.26Å | |
| C5A | O4P | sing | 1.43Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| O4P | P | sing | 1.61Å | 1.62Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| O1P | P | doub | 1.48Å | 1.47Å | |
| CB | SG | sing | 1.81Å | 1.82Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.47Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| SG | H2 | sing | 1.35Å | 1.30Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CA | H5 | sing | 1.09Å | 1.10Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| O3P | H7 | sing | 0.97Å | 0.95Å | |
| O2P | H8 | sing | 0.97Å | 0.95Å | |
| C5A | H9 | sing | 1.09Å | 1.10Å | |
| C5A | H10 | sing | 1.09Å | 1.10Å | |
| C2A | H11 | sing | 1.09Å | 1.10Å | |
| C2A | H12 | sing | 1.09Å | 1.10Å | |
| C2A | H13 | sing | 1.09Å | 1.10Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å | |
| C4A | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | C2 | N1 | 118.2° | 119.6° |
| C2A | C2 | C3 | 122.7° | 119.6° |
| C2 | C2A | H11 | 109.5° | 109.5° |
| C2 | C2A | H12 | 109.4° | 109.5° |
| C2 | C2A | H13 | 109.5° | 109.5° |
| N1 | C2 | C3 | 119.0° | 120.8° |
| C2 | N1 | C6 | 120.2° | 122.1° |
| C2 | C3 | O3 | 118.1° | 120.5° |
| C2 | C3 | C4 | 123.0° | 118.9° |
| N1 | C6 | C5 | 122.2° | 121.1° |
| N1 | C6 | H1 | 118.9° | 119.5° |
| O3 | C3 | C4 | 118.9° | 120.6° |
| C3 | O3 | H14 | 109.5° | 114.0° |
| C3 | C4 | C5 | 116.8° | 118.1° |
| C3 | C4 | C4A | 120.4° | 120.9° |
| C6 | C5 | C4 | 118.7° | 119.0° |
| C6 | C5 | C5A | 117.2° | 120.5° |
| C5 | C6 | H1 | 118.9° | 119.4° |
| C5 | C4 | C4A | 122.7° | 120.9° |
| C4 | C5 | C5A | 124.1° | 120.5° |
| C4 | C4A | N | 116.4° | 120.0° |
| C4 | C4A | H15 | 121.8° | 120.0° |
| C5 | C5A | O4P | 113.8° | 109.5° |
| C5 | C5A | H9 | 108.4° | 109.4° |
| C5 | C5A | H10 | 108.4° | 109.5° |
| C4A | N | CA | 132.5° | 120.0° |
| N | C4A | H15 | 121.8° | 120.0° |
| OXT | C | CA | 119.2° | 120.0° |
| OXT | C | O | 123.4° | 120.0° |
| C5A | O4P | P | 121.1° | 123.0° |
| O4P | C5A | H9 | 108.4° | 109.4° |
| O4P | C5A | H10 | 108.4° | 109.5° |
| N | CA | C | 111.4° | 109.4° |
| N | CA | CB | 105.9° | 109.5° |
| N | CA | H5 | 112.3° | 109.4° |
| O4P | P | O1P | 97.3° | 109.5° |
| O4P | P | O2P | 101.7° | 109.5° |
| O4P | P | O3P | 97.4° | 109.5° |
| CA | C | O | 117.1° | 120.0° |
| C | CA | CB | 104.5° | 109.5° |
| C | CA | H5 | 111.1° | 109.5° |
| C | O | H6 | 109.5° | 117.0° |
| CA | CB | SG | 119.4° | 109.5° |
| CA | CB | H3 | 106.9° | 109.5° |
| CA | CB | H4 | 107.0° | 109.5° |
| CB | CA | H5 | 111.3° | 109.5° |
| O1P | P | O2P | 117.4° | 109.4° |
| O1P | P | O3P | 118.4° | 109.4° |
| CB | SG | H2 | 102.0° | 103.0° |
| SG | CB | H3 | 107.0° | 109.4° |
| SG | CB | H4 | 106.9° | 109.5° |
| O2P | P | O3P | 117.4° | 109.5° |
| P | O2P | H8 | 109.5° | 114.0° |
| P | O3P | H7 | 109.5° | 114.0° |
| H3 | CB | H4 | 109.5° | 109.4° |
| H9 | C5A | H10 | 109.5° | 109.5° |
| H11 | C2A | H12 | 109.5° | 109.4° |
| H11 | C2A | H13 | 109.5° | 109.5° |
| H12 | C2A | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2A | C2 | N1 | C3 | 179.8° | 180.0° |
| C2A | C2 | N1 | C6 | 180.0° | 180.0° |
| C2A | C2 | C3 | O3 | 0.4° | 0.0° |
| C2A | C2 | C3 | C4 | 179.3° | 179.8° |
| C2 | C2A | H11 | H12 | 120.0° | 120.0° |
| C2 | C2A | H11 | H13 | 120.0° | 120.0° |
| C2 | C2A | H12 | H13 | 120.0° | 120.0° |
| N1 | C2 | C3 | O3 | 179.8° | 180.0° |
| N1 | C2 | C3 | C4 | 0.5° | 0.2° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| C2 | N1 | C6 | H1 | 179.6° | 179.7° |
| N1 | C2 | C2A | H11 | 0.0° | 90.0° |
| N1 | C2 | C2A | H12 | 120.0° | 150.0° |
| N1 | C2 | C2A | H13 | 120.0° | 30.0° |
| C3 | C2 | N1 | C6 | 0.2° | 0.0° |
| C2 | C3 | O3 | C4 | 179.7° | 179.8° |
| C2 | C3 | C4 | C5 | 0.9° | 0.4° |
| C2 | C3 | C4 | C4A | 177.7° | 180.0° |
| C3 | C2 | C2A | H11 | 179.8° | 90.0° |
| C3 | C2 | C2A | H12 | 59.8° | 30.0° |
| C3 | C2 | C2A | H13 | 60.2° | 150.0° |
| C2 | C3 | O3 | H14 | 180.0° | 90.0° |
| N1 | C6 | C5 | H1 | 180.0° | 179.7° |
| N1 | C6 | C5 | C4 | 0.0° | 0.2° |
| N1 | C6 | C5 | C5A | 178.3° | 179.8° |
| O3 | C3 | C4 | C5 | 179.4° | 179.8° |
| O3 | C3 | C4 | C4A | 2.6° | 0.2° |
| C3 | C4 | C5 | C6 | 0.6° | 0.4° |
| C3 | C4 | C5 | C4A | 176.8° | 179.6° |
| C3 | C4 | C5 | C5A | 177.6° | 179.6° |
| C3 | C4 | C4A | N | 52.0° | 0.5° |
| C4 | C3 | O3 | H14 | 0.4° | 89.8° |
| C3 | C4 | C4A | H15 | 128.0° | 179.6° |
| C6 | C5 | C4 | C5A | 178.2° | 180.0° |
| C6 | C5 | C4 | C4A | 177.4° | 180.0° |
| C6 | C5 | C5A | O4P | 119.7° | 0.0° |
| C6 | C5 | C5A | H9 | 0.9° | 120.0° |
| C6 | C5 | C5A | H10 | 119.6° | 120.0° |
| C5 | C4 | C4A | N | 124.7° | 179.9° |
| C4 | C5 | C5A | O4P | 62.0° | 180.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C5A | H9 | 177.3° | 60.0° |
| C4 | C5 | C5A | H10 | 58.6° | 60.0° |
| C5 | C4 | C4A | H15 | 55.3° | 0.0° |
| C4A | C4 | C5 | C5A | 0.8° | 0.0° |
| C4 | C4A | N | H15 | 180.0° | 179.9° |
| C4 | C4A | N | CA | 171.7° | 180.0° |
| C5 | C5A | O4P | H9 | 120.6° | 119.9° |
| C5 | C5A | O4P | H10 | 120.7° | 120.0° |
| C5 | C5A | O4P | P | 150.4° | 180.0° |
| C5A | C5 | C6 | H1 | 1.7° | 0.1° |
| C5 | C5A | H9 | H10 | 118.0° | 120.0° |
| C4A | N | CA | C | 114.8° | 120.1° |
| C4A | N | CA | CB | 132.1° | 119.9° |
| C4A | N | CA | H5 | 10.5° | 0.1° |
| OXT | C | CA | N | 9.8° | 0.0° |
| OXT | C | CA | O | 174.0° | 180.0° |
| OXT | C | CA | CB | 123.7° | 120.0° |
| OXT | C | CA | H5 | 116.1° | 119.9° |
| OXT | C | O | H6 | 0.0° | 0.0° |
| C5A | O4P | P | O1P | 164.4° | 55.0° |
| C5A | O4P | P | O2P | 44.4° | 175.0° |
| C5A | O4P | P | O3P | 75.6° | 65.0° |
| O4P | C5A | H9 | H10 | 118.1° | 120.0° |
| N | CA | C | CB | 113.9° | 120.0° |
| N | CA | C | H5 | 126.0° | 119.9° |
| N | CA | C | O | 164.2° | 180.0° |
| N | CA | CB | H5 | 122.2° | 120.0° |
| N | CA | CB | SG | 88.0° | 60.0° |
| N | CA | CB | H3 | 33.4° | 180.0° |
| N | CA | CB | H4 | 150.6° | 60.0° |
| CA | N | C4A | H15 | 8.2° | 0.1° |
| O4P | P | O1P | O2P | 107.3° | 120.0° |
| O4P | P | O1P | O3P | 102.5° | 120.0° |
| O4P | P | O2P | O3P | 104.9° | 120.1° |
| O4P | P | O3P | H7 | 102.4° | 60.0° |
| O4P | P | O2P | H8 | 104.6° | 180.0° |
| P | O4P | C5A | H9 | 89.0° | 60.1° |
| P | O4P | C5A | H10 | 29.7° | 59.9° |
| C | CA | CB | H5 | 120.0° | 120.0° |
| C | CA | CB | SG | 154.2° | 180.0° |
| C | CA | CB | H3 | 84.4° | 60.0° |
| C | CA | CB | H4 | 32.8° | 60.0° |
| CA | C | O | H6 | 173.7° | 180.0° |
| O | C | CA | CB | 50.3° | 60.0° |
| O | C | CA | H5 | 69.9° | 60.0° |
| CA | CB | SG | H3 | 121.4° | 120.0° |
| CA | CB | SG | H4 | 121.4° | 120.1° |
| CA | CB | SG | H2 | 180.0° | 179.9° |
| CA | CB | H3 | H4 | 115.5° | 120.0° |
| O1P | P | O2P | O3P | 150.5° | 119.9° |
| O1P | P | O3P | H7 | 0.0° | 180.0° |
| O1P | P | O2P | H8 | 0.0° | 60.0° |
| SG | CB | H3 | H4 | 115.5° | 119.9° |
| SG | CB | CA | H5 | 34.2° | 60.0° |
| O2P | P | O3P | H7 | 150.2° | 60.0° |
| O3P | P | O2P | H8 | 150.5° | 59.9° |
| H2 | SG | CB | H3 | 58.6° | 60.0° |
| H2 | SG | CB | H4 | 58.6° | 60.0° |
| H3 | CB | CA | H5 | 155.6° | 60.0° |
| H4 | CB | CA | H5 | 87.2° | 180.0° |
| H11 | C2A | H12 | H13 | 120.0° | 120.0° |
