4EY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4R | C4R | sing | 1.44Å | 1.41Å | |
| O4R | C1R | sing | 1.44Å | 1.43Å | |
| O3R | C3R | sing | 1.43Å | 1.43Å | |
| C4R | C3R | sing | 1.54Å | 1.52Å | |
| C4R | C5R | sing | 1.53Å | 1.52Å | |
| C1R | N1 | sing | 1.46Å | 1.45Å | |
| C1R | C2R | sing | 1.55Å | 1.49Å | |
| O2 | C1 | doub | 1.22Å | 1.22Å | |
| C3R | C2R | sing | 1.55Å | 1.52Å | |
| C6 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C5R | O5R | sing | 1.43Å | 1.42Å | |
| N1 | C2 | sing | 1.32Å | 1.32Å | Aromatic |
| O2R | C2R | sing | 1.43Å | 1.42Å | |
| C1 | C5 | sing | 1.48Å | 1.48Å | |
| C1 | S2 | sing | 1.76Å | 1.56Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.37Å | Aromatic |
| O5R | P | sing | 1.61Å | 1.60Å | |
| C4 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| C3 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | S7 | doub | 1.60Å | 1.54Å | |
| P | O3P | doub | 1.48Å | 1.50Å | |
| P | O1P | sing | 1.61Å | 1.53Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| O2P | H4 | sing | 0.97Å | 0.95Å | |
| O1P | H5 | sing | 0.97Å | 0.95Å | |
| C5R | H6 | sing | 1.09Å | 1.10Å | |
| C5R | H7 | sing | 1.09Å | 1.10Å | |
| C4R | H8 | sing | 1.09Å | 1.10Å | |
| C3R | H9 | sing | 1.09Å | 1.10Å | |
| O3R | H10 | sing | 0.97Å | 0.95Å | |
| C2R | H11 | sing | 1.09Å | 1.10Å | |
| O2R | H12 | sing | 0.97Å | 0.95Å | |
| C1R | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.08Å | 1.08Å | |
| S2 | H15 | sing | 1.41Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4R | O4R | C1R | 112.0° | 105.3° |
| O4R | C4R | C3R | 105.2° | 104.8° |
| O4R | C4R | C5R | 108.1° | 110.4° |
| O4R | C4R | H8 | 110.7° | 110.4° |
| O4R | C1R | N1 | 108.5° | 110.4° |
| O4R | C1R | C2R | 107.3° | 104.8° |
| O4R | C1R | H13 | 109.7° | 110.3° |
| O3R | C3R | C4R | 109.1° | 110.5° |
| O3R | C3R | C2R | 112.5° | 110.5° |
| O3R | C3R | H9 | 111.1° | 110.5° |
| C3R | O3R | H10 | 109.5° | 114.0° |
| C3R | C4R | C5R | 114.6° | 110.4° |
| C4R | C3R | C2R | 104.6° | 104.1° |
| C3R | C4R | H8 | 109.1° | 110.3° |
| C4R | C3R | H9 | 109.6° | 110.5° |
| C4R | C5R | O5R | 104.0° | 109.5° |
| C4R | C5R | H6 | 110.8° | 109.5° |
| C4R | C5R | H7 | 110.8° | 109.4° |
| C5R | C4R | H8 | 109.1° | 110.3° |
| N1 | C1R | C2R | 112.9° | 110.4° |
| C1R | N1 | C6 | 119.7° | 119.0° |
| C1R | N1 | C2 | 118.2° | 118.9° |
| N1 | C1R | H13 | 109.5° | 110.3° |
| C1R | C2R | C3R | 103.6° | 104.0° |
| C1R | C2R | O2R | 103.4° | 110.6° |
| C1R | C2R | H11 | 110.6° | 110.5° |
| C2R | C1R | H13 | 108.9° | 110.4° |
| O2 | C1 | C5 | 121.2° | 120.0° |
| O2 | C1 | S2 | 122.0° | 120.0° |
| C3R | C2R | O2R | 117.1° | 110.5° |
| C2R | C3R | H9 | 109.7° | 110.5° |
| C3R | C2R | H11 | 110.1° | 110.5° |
| N1 | C6 | C5 | 118.5° | 120.9° |
| C6 | N1 | C2 | 122.0° | 122.1° |
| N1 | C6 | H3 | 120.7° | 119.5° |
| C6 | C5 | C1 | 118.3° | 120.4° |
| C6 | C5 | C4 | 121.0° | 119.1° |
| C5 | C6 | H3 | 120.7° | 119.6° |
| C5R | O5R | P | 130.7° | 123.0° |
| O5R | C5R | H6 | 110.8° | 109.5° |
| O5R | C5R | H7 | 110.8° | 109.5° |
| N1 | C2 | C3 | 122.1° | 120.9° |
| N1 | C2 | H1 | 118.9° | 119.6° |
| O2R | C2R | H11 | 111.5° | 110.5° |
| C2R | O2R | H12 | 109.5° | 114.0° |
| C5 | C1 | S2 | 116.7° | 120.0° |
| C1 | C5 | C4 | 120.7° | 120.5° |
| C1 | S2 | H15 | 102.0° | 100.0° |
| C5 | C4 | C3 | 118.2° | 118.1° |
| C5 | C4 | H2 | 120.9° | 121.0° |
| C2 | C3 | C4 | 118.2° | 118.9° |
| C2 | C3 | C7 | 119.3° | 120.6° |
| C3 | C2 | H1 | 118.9° | 119.6° |
| O5R | P | O3P | 99.6° | 109.5° |
| O5R | P | O1P | 90.6° | 109.5° |
| O5R | P | O2P | 107.2° | 109.5° |
| C4 | C3 | C7 | 122.4° | 120.5° |
| C3 | C4 | H2 | 120.9° | 120.9° |
| C3 | C7 | S7 | 117.6° | 120.0° |
| C3 | C7 | H14 | 121.2° | 120.0° |
| S7 | C7 | H14 | 121.2° | 120.0° |
| O3P | P | O1P | 118.5° | 109.5° |
| O3P | P | O2P | 114.9° | 109.5° |
| O1P | P | O2P | 119.2° | 109.5° |
| P | O1P | H5 | 109.5° | 114.0° |
| P | O2P | H4 | 109.5° | 114.0° |
| H6 | C5R | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4R | C4R | C3R | O3R | 96.6° | 142.6° |
| O4R | C4R | C3R | C5R | 118.5° | 118.9° |
| O4R | C4R | C3R | H8 | 118.8° | 118.9° |
| O4R | C4R | C5R | H8 | 120.5° | 122.3° |
| C4R | O4R | C1R | N1 | 128.4° | 159.3° |
| C4R | O4R | C1R | C2R | 6.2° | 40.4° |
| O4R | C4R | C3R | C2R | 23.9° | 23.9° |
| O4R | C4R | C5R | O5R | 131.5° | 69.6° |
| O4R | C4R | C5R | H6 | 12.3° | 50.4° |
| O4R | C4R | C5R | H7 | 109.4° | 170.4° |
| O4R | C4R | C3R | H9 | 141.5° | 94.7° |
| C4R | O4R | C1R | H13 | 112.0° | 78.4° |
| C1R | O4R | C4R | C3R | 11.4° | 40.4° |
| C1R | O4R | C4R | C5R | 111.4° | 159.3° |
| O4R | C1R | N1 | C2R | 118.8° | 115.5° |
| O4R | C1R | N1 | H13 | 119.7° | 122.2° |
| O4R | C1R | C2R | H13 | 118.7° | 118.8° |
| O4R | C1R | C2R | C3R | 20.9° | 23.9° |
| O4R | C1R | N1 | C6 | 131.6° | 141.4° |
| O4R | C1R | N1 | C2 | 46.2° | 38.0° |
| O4R | C1R | C2R | O2R | 143.5° | 142.6° |
| C1R | O4R | C4R | H8 | 129.1° | 78.4° |
| O4R | C1R | C2R | H11 | 97.1° | 94.7° |
| O3R | C3R | C4R | C2R | 120.6° | 118.7° |
| O3R | C3R | C4R | H9 | 121.9° | 122.6° |
| O3R | C3R | C4R | C5R | 144.9° | 98.5° |
| O3R | C3R | C2R | C1R | 91.1° | 118.7° |
| O3R | C3R | C2R | H9 | 124.2° | 122.7° |
| O3R | C3R | C2R | O2R | 21.8° | 0.1° |
| O3R | C3R | C4R | H8 | 22.2° | 23.8° |
| O3R | C3R | C2R | H11 | 150.6° | 122.7° |
| C3R | C4R | C5R | H8 | 122.7° | 122.3° |
| C4R | C3R | C2R | C1R | 27.1° | 0.0° |
| C4R | C3R | C2R | H9 | 117.5° | 118.6° |
| C3R | C4R | C5R | O5R | 14.6° | 175.0° |
| C4R | C3R | C2R | O2R | 140.1° | 118.8° |
| C3R | C4R | C5R | H6 | 104.5° | 65.0° |
| C3R | C4R | C5R | H7 | 133.8° | 55.0° |
| C4R | C3R | O3R | H10 | 180.0° | 180.0° |
| C4R | C3R | C2R | H11 | 91.1° | 118.6° |
| C5R | C4R | C3R | C2R | 94.5° | 142.8° |
| C4R | C5R | O5R | H6 | 119.1° | 120.0° |
| C4R | C5R | O5R | H7 | 119.1° | 119.9° |
| C4R | C5R | O5R | P | 134.2° | 180.0° |
| C4R | C5R | H6 | H7 | 122.5° | 120.0° |
| C5R | C4R | C3R | H9 | 23.0° | 24.2° |
| N1 | C1R | C2R | H13 | 121.8° | 122.3° |
| N1 | C1R | C2R | C3R | 140.3° | 142.9° |
| C1R | N1 | C6 | C2 | 177.7° | 179.4° |
| C1R | N1 | C6 | C5 | 178.5° | 180.0° |
| N1 | C1R | C2R | O2R | 97.1° | 98.4° |
| C1R | N1 | C2 | C3 | 178.1° | 180.0° |
| C1R | N1 | C2 | H1 | 1.9° | 0.3° |
| C1R | N1 | C6 | H3 | 1.5° | 0.6° |
| N1 | C1R | C2R | H11 | 22.4° | 24.2° |
| C1R | C2R | C3R | O2R | 113.0° | 118.8° |
| C1R | C2R | C3R | H11 | 118.3° | 118.6° |
| C2R | C1R | N1 | C6 | 109.7° | 103.1° |
| C2R | C1R | N1 | C2 | 72.6° | 77.4° |
| C1R | C2R | O2R | H11 | 118.8° | 122.7° |
| C1R | C2R | C3R | H9 | 144.7° | 118.6° |
| C1R | C2R | O2R | H12 | 180.0° | 176.1° |
| O2 | C1 | C5 | C6 | 1.2° | 0.0° |
| O2 | C1 | C5 | S2 | 179.0° | 179.9° |
| O2 | C1 | C5 | C4 | 179.4° | 180.0° |
| O2 | C1 | S2 | H15 | 0.0° | 0.0° |
| C3R | C2R | O2R | H11 | 128.1° | 122.7° |
| C2R | C3R | C4R | H8 | 142.8° | 94.9° |
| C2R | C3R | O3R | H10 | 64.4° | 65.3° |
| C3R | C2R | O2R | H12 | 66.9° | 61.5° |
| C3R | C2R | C1R | H13 | 97.8° | 94.9° |
| N1 | C6 | C5 | H3 | 180.0° | 179.4° |
| N1 | C6 | C5 | C1 | 179.7° | 179.7° |
| N1 | C6 | C5 | C4 | 0.3° | 0.2° |
| C6 | N1 | C2 | C3 | 0.4° | 0.6° |
| C6 | N1 | C2 | H1 | 179.6° | 179.7° |
| C6 | N1 | C1R | H13 | 11.8° | 19.2° |
| C5 | C6 | N1 | C2 | 0.9° | 0.6° |
| C6 | C5 | C1 | C4 | 179.4° | 180.0° |
| C6 | C5 | C1 | S2 | 177.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.1° |
| C6 | C5 | C4 | H2 | 179.3° | 179.9° |
| C5R | O5R | P | O3P | 56.3° | 55.0° |
| C5R | O5R | P | O1P | 175.3° | 175.0° |
| C5R | O5R | P | O2P | 63.7° | 65.0° |
| O5R | C5R | H6 | H7 | 122.5° | 120.0° |
| O5R | C5R | C4R | H8 | 108.0° | 52.7° |
| N1 | C2 | C3 | H1 | 180.0° | 179.7° |
| N1 | C2 | C3 | C4 | 0.7° | 0.3° |
| N1 | C2 | C3 | C7 | 178.3° | 179.7° |
| C2 | N1 | C6 | H3 | 179.1° | 180.0° |
| C2 | N1 | C1R | H13 | 165.9° | 160.2° |
| O2R | C2R | C3R | H9 | 102.4° | 122.6° |
| O2R | C2R | C1R | H13 | 24.7° | 23.8° |
| C1 | C5 | C4 | C3 | 178.7° | 180.0° |
| C1 | C5 | C4 | H2 | 1.3° | 0.1° |
| C1 | C5 | C6 | H3 | 0.3° | 0.3° |
| C5 | C1 | S2 | H15 | 179.0° | 180.0° |
| S2 | C1 | C5 | C4 | 1.6° | 0.1° |
| C5 | C4 | C3 | C2 | 1.2° | 0.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | C7 | 178.7° | 180.0° |
| C4 | C5 | C6 | H3 | 179.7° | 179.7° |
| C2 | C3 | C4 | C7 | 177.5° | 180.0° |
| C2 | C3 | C7 | S7 | 175.8° | 180.0° |
| C2 | C3 | C4 | H2 | 178.8° | 179.9° |
| C2 | C3 | C7 | H14 | 4.2° | 0.0° |
| O5R | P | O3P | O1P | 96.0° | 120.0° |
| O5R | P | O3P | O2P | 114.2° | 120.0° |
| O5R | P | O1P | O2P | 110.2° | 120.0° |
| O5R | P | O2P | H4 | 109.7° | 60.0° |
| O5R | P | O1P | H5 | 101.3° | 180.0° |
| P | O5R | C5R | H6 | 15.1° | 60.0° |
| P | O5R | C5R | H7 | 106.6° | 60.1° |
| C4 | C3 | C7 | S7 | 6.7° | 0.0° |
| C4 | C3 | C2 | H1 | 179.4° | 180.0° |
| C4 | C3 | C7 | H14 | 173.3° | 180.0° |
| C3 | C7 | S7 | H14 | 180.0° | 179.9° |
| C7 | C3 | C2 | H1 | 1.8° | 0.0° |
| C7 | C3 | C4 | H2 | 1.3° | 0.1° |
| O3P | P | O1P | O2P | 148.4° | 120.0° |
| O3P | P | O2P | H4 | 0.0° | 180.0° |
| O3P | P | O1P | H5 | 0.0° | 60.0° |
| O1P | P | O2P | H4 | 149.5° | 60.0° |
| O2P | P | O1P | H5 | 148.4° | 60.0° |
| H6 | C5R | C4R | H8 | 132.8° | 172.7° |
| H7 | C5R | C4R | H8 | 11.1° | 67.2° |
| H8 | C4R | C3R | H9 | 99.6° | 146.4° |
| H9 | C3R | O3R | H10 | 59.0° | 57.4° |
| H9 | C3R | C2R | H11 | 26.4° | 0.0° |
| H11 | C2R | O2R | H12 | 61.2° | 61.2° |
| H11 | C2R | C1R | H13 | 144.2° | 146.5° |
