2J4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.42Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.57Å | |
| O5 | C1 | sing | 1.40Å | 1.41Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | C3 | sing | 1.52Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.52Å | 1.56Å | |
| C2 | C1 | sing | 1.52Å | 1.58Å | |
| C2 | N2 | sing | 1.46Å | 1.48Å | |
| C1 | S1 | sing | 1.83Å | 1.78Å | |
| S1 | C7 | sing | 1.78Å | 1.71Å | |
| N2 | C7 | doub | 1.29Å | 1.35Å | |
| N1 | C7 | sing | 1.37Å | 1.45Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | HA | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HB | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | H1N | sing | 0.97Å | 1.00Å | |
| N1 | H2N | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 107.0° | 109.4° |
| C6 | O6 | H6 | 109.5° | 114.0° |
| O6 | C6 | H6C1 | 110.3° | 109.5° |
| O6 | C6 | H6C2 | 110.8° | 109.5° |
| C6 | C5 | O5 | 106.2° | 109.8° |
| C6 | C5 | C4 | 116.8° | 109.8° |
| C5 | C6 | H6C1 | 110.3° | 109.4° |
| C5 | C6 | H6C2 | 110.8° | 109.5° |
| C6 | C5 | H5 | 106.7° | 109.8° |
| O5 | C5 | C4 | 108.9° | 107.8° |
| C5 | O5 | C1 | 118.9° | 118.4° |
| O5 | C5 | H5 | 114.9° | 109.8° |
| C5 | C4 | O4 | 109.2° | 109.8° |
| C5 | C4 | C3 | 108.2° | 108.1° |
| C4 | C5 | H5 | 103.8° | 109.9° |
| C5 | C4 | H4 | 109.7° | 109.8° |
| O5 | C1 | C2 | 112.7° | 117.9° |
| O5 | C1 | S1 | 120.3° | 111.7° |
| O5 | C1 | H1 | 97.2° | 108.5° |
| O4 | C4 | C3 | 107.2° | 109.7° |
| O4 | C4 | H4 | 110.7° | 109.7° |
| C4 | O4 | HA | 109.5° | 113.9° |
| C4 | C3 | O3 | 112.4° | 109.0° |
| C4 | C3 | C2 | 110.6° | 112.1° |
| C3 | C4 | H4 | 111.6° | 109.7° |
| C4 | C3 | H3 | 107.4° | 108.9° |
| O3 | C3 | C2 | 111.7° | 109.0° |
| O3 | C3 | H3 | 106.3° | 108.9° |
| C3 | O3 | HB | 109.5° | 114.0° |
| C3 | C2 | C1 | 113.4° | 114.3° |
| C3 | C2 | N2 | 114.6° | 109.0° |
| C2 | C3 | H3 | 108.2° | 108.8° |
| C3 | C2 | H2 | 100.9° | 108.4° |
| C1 | C2 | N2 | 101.3° | 109.1° |
| C2 | C1 | S1 | 103.3° | 102.1° |
| C2 | C1 | H1 | 116.1° | 108.4° |
| C1 | C2 | H2 | 114.3° | 108.3° |
| C2 | N2 | C7 | 122.2° | 119.1° |
| N2 | C2 | H2 | 113.1° | 107.6° |
| C1 | S1 | C7 | 96.6° | 93.9° |
| S1 | C1 | H1 | 107.7° | 107.6° |
| S1 | C7 | N2 | 105.8° | 109.0° |
| S1 | C7 | N1 | 129.6° | 125.5° |
| N2 | C7 | N1 | 124.5° | 125.5° |
| C7 | N1 | H1N | 104.6° | 120.0° |
| C7 | N1 | H2N | 127.7° | 120.0° |
| H6C1 | C6 | H6C2 | 107.6° | 109.5° |
| H1N | N1 | H2N | 127.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H6C1 | 120.0° | 120.0° |
| O6 | C6 | C5 | H6C2 | 121.0° | 120.0° |
| O6 | C6 | C5 | O5 | 68.1° | 65.0° |
| O6 | C6 | C5 | C4 | 53.5° | 176.7° |
| O6 | C6 | H6C1 | H6C2 | 121.0° | 120.1° |
| O6 | C6 | C5 | H5 | 168.9° | 55.8° |
| C6 | C5 | O5 | C4 | 126.5° | 119.5° |
| C6 | C5 | O5 | H5 | 117.6° | 120.7° |
| C6 | C5 | C4 | H5 | 117.0° | 120.8° |
| C6 | C5 | O5 | C1 | 173.5° | 175.6° |
| C6 | C5 | C4 | O4 | 62.1° | 56.3° |
| C6 | C5 | C4 | C3 | 178.5° | 176.0° |
| C5 | C6 | O6 | H6 | 109.3° | 180.0° |
| C5 | C6 | H6C1 | H6C2 | 121.0° | 120.0° |
| C6 | C5 | C4 | H4 | 59.4° | 64.4° |
| O5 | C5 | C4 | H5 | 122.8° | 119.7° |
| O5 | C5 | C4 | O4 | 177.7° | 175.9° |
| O5 | C5 | C4 | C3 | 61.3° | 64.5° |
| C5 | O5 | C1 | C2 | 48.5° | 37.0° |
| C5 | O5 | C1 | S1 | 73.8° | 80.9° |
| O5 | C5 | C6 | H6C1 | 171.9° | 55.0° |
| O5 | C5 | C6 | H6C2 | 52.8° | 175.0° |
| O5 | C5 | C4 | H4 | 60.7° | 55.2° |
| C5 | O5 | C1 | H1 | 170.8° | 160.7° |
| C4 | C5 | O5 | C1 | 60.0° | 56.0° |
| C5 | C4 | O4 | C3 | 117.1° | 118.7° |
| C5 | C4 | O4 | H4 | 120.9° | 120.7° |
| C5 | C4 | C3 | H4 | 120.9° | 119.7° |
| C5 | C4 | C3 | O3 | 178.6° | 177.1° |
| C5 | C4 | C3 | C2 | 55.8° | 56.4° |
| C4 | C5 | C6 | H6C1 | 66.5° | 63.4° |
| C4 | C5 | C6 | H6C2 | 174.4° | 56.7° |
| C5 | C4 | O4 | HA | 77.7° | 60.0° |
| C5 | C4 | C3 | H3 | 62.1° | 64.2° |
| O5 | C1 | C2 | C3 | 39.4° | 25.7° |
| O5 | C1 | C2 | S1 | 131.4° | 122.8° |
| O5 | C1 | C2 | H1 | 110.9° | 123.7° |
| O5 | C1 | C2 | N2 | 162.6° | 147.9° |
| O5 | C1 | S1 | H1 | 109.9° | 119.0° |
| O5 | C1 | S1 | C7 | 155.7° | 150.1° |
| C1 | O5 | C5 | H5 | 55.9° | 63.7° |
| O5 | C1 | C2 | H2 | 75.5° | 95.2° |
| O4 | C4 | C3 | H4 | 121.4° | 120.6° |
| O4 | C4 | C3 | O3 | 60.9° | 63.2° |
| O4 | C4 | C3 | C2 | 173.5° | 176.1° |
| O4 | C4 | C5 | H5 | 54.9° | 64.5° |
| O4 | C4 | C3 | H3 | 55.6° | 55.5° |
| C4 | C3 | O3 | C2 | 125.0° | 122.6° |
| C4 | C3 | O3 | H3 | 117.2° | 118.7° |
| C4 | C3 | C2 | H3 | 117.4° | 120.6° |
| C4 | C3 | C2 | C1 | 45.6° | 36.7° |
| C4 | C3 | C2 | N2 | 161.2° | 159.1° |
| C3 | C4 | C5 | H5 | 61.5° | 55.2° |
| C3 | C4 | O4 | HA | 39.3° | 178.7° |
| C4 | C3 | O3 | HB | 15.6° | 59.9° |
| C4 | C3 | C2 | H2 | 77.0° | 84.1° |
| O3 | C3 | C2 | H3 | 116.6° | 118.7° |
| O3 | C3 | C2 | C1 | 171.5° | 157.5° |
| O3 | C3 | C2 | N2 | 72.9° | 80.2° |
| O3 | C3 | C4 | H4 | 60.5° | 57.4° |
| O3 | C3 | C2 | H2 | 48.9° | 36.6° |
| C3 | C2 | C1 | N2 | 123.3° | 122.3° |
| C3 | C2 | C1 | H2 | 114.9° | 120.9° |
| C3 | C2 | N2 | H2 | 114.8° | 117.3° |
| C3 | C2 | C1 | S1 | 92.0° | 97.2° |
| C3 | C2 | N2 | C7 | 97.9° | 108.8° |
| C2 | C3 | C4 | H4 | 65.1° | 63.3° |
| C3 | C2 | C1 | H1 | 150.3° | 149.4° |
| C2 | C3 | O3 | HB | 140.6° | 177.4° |
| C1 | C2 | N2 | H2 | 122.7° | 117.3° |
| C2 | C1 | S1 | H1 | 123.4° | 114.0° |
| C2 | C1 | S1 | C7 | 29.0° | 23.1° |
| C1 | C2 | N2 | C7 | 24.5° | 16.6° |
| C1 | C2 | C3 | H3 | 71.8° | 83.9° |
| N2 | C2 | C1 | S1 | 31.3° | 25.1° |
| C2 | N2 | C7 | S1 | 3.8° | 2.0° |
| C2 | N2 | C7 | N1 | 175.0° | 177.9° |
| N2 | C2 | C1 | H1 | 86.4° | 88.3° |
| N2 | C2 | C3 | H3 | 43.8° | 38.5° |
| C1 | S1 | C7 | N2 | 16.0° | 15.8° |
| C1 | S1 | C7 | N1 | 165.2° | 164.2° |
| S1 | C1 | C2 | H2 | 153.1° | 141.9° |
| S1 | C7 | N2 | N1 | 178.8° | 179.9° |
| C7 | S1 | C1 | H1 | 94.5° | 90.9° |
| S1 | C7 | N1 | H1N | 0.8° | 0.0° |
| S1 | C7 | N1 | H2N | 179.2° | 180.0° |
| C7 | N2 | C2 | H2 | 147.2° | 133.9° |
| N2 | C7 | N1 | H1N | 179.4° | 179.9° |
| N2 | C7 | N1 | H2N | 0.7° | 0.1° |
| C7 | N1 | H1N | H2N | 180.0° | 180.0° |
| H6 | O6 | C6 | H6C1 | 10.7° | 60.1° |
| H6 | O6 | C6 | H6C2 | 129.8° | 60.0° |
| H6C1 | C6 | C5 | H5 | 48.9° | 175.8° |
| H6C2 | C6 | C5 | H5 | 70.1° | 64.2° |
| H5 | C5 | C4 | H4 | 176.5° | 174.8° |
| H4 | C4 | O4 | HA | 161.3° | 60.7° |
| H4 | C4 | C3 | H3 | 177.1° | 176.1° |
| H1 | C1 | C2 | H2 | 35.5° | 28.5° |
| H3 | C3 | O3 | HB | 101.6° | 58.8° |
| H3 | C3 | C2 | H2 | 165.5° | 155.3° |
