IL5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | S2 | doub | 1.42Å | 1.44Å | |
| O5 | C7 | doub | 1.22Å | 1.24Å | |
| N2 | C7 | sing | 1.34Å | 1.35Å | |
| N2 | S2 | sing | 1.67Å | 1.62Å | |
| C7 | C4 | sing | 1.47Å | 1.50Å | |
| S2 | C3 | sing | 1.77Å | 1.76Å | |
| S2 | O3 | doub | 1.42Å | 1.44Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.76Å | |
| N1 | S1 | sing | 1.66Å | 1.58Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | S2 | N2 | 111.0° | 107.7° |
| O4 | S2 | C3 | 112.0° | 107.5° |
| O4 | S2 | O3 | 114.4° | 124.1° |
| O5 | C7 | N2 | 123.7° | 121.0° |
| O5 | C7 | C4 | 123.1° | 121.0° |
| C7 | N2 | S2 | 111.7° | 105.9° |
| N2 | C7 | C4 | 113.2° | 118.0° |
| C7 | N2 | H2 | 124.1° | 127.1° |
| N2 | S2 | C3 | 97.2° | 99.8° |
| N2 | S2 | O3 | 112.1° | 107.5° |
| S2 | N2 | H2 | 124.1° | 127.0° |
| C7 | C4 | C5 | 128.8° | 130.1° |
| C7 | C4 | C3 | 111.0° | 112.5° |
| C3 | S2 | O3 | 108.9° | 107.5° |
| S2 | C3 | C4 | 106.8° | 103.8° |
| S2 | C3 | C2 | 132.7° | 134.2° |
| C5 | C4 | C3 | 120.3° | 117.5° |
| C4 | C5 | C6 | 119.6° | 120.4° |
| C4 | C5 | H3 | 120.2° | 119.8° |
| C4 | C3 | C2 | 120.4° | 122.0° |
| C5 | C6 | C1 | 119.8° | 120.9° |
| C6 | C5 | H3 | 120.2° | 119.8° |
| C5 | C6 | H4 | 120.1° | 119.5° |
| C3 | C2 | C1 | 119.1° | 119.7° |
| C3 | C2 | H1 | 120.4° | 120.1° |
| C6 | C1 | C2 | 120.8° | 119.6° |
| C6 | C1 | S1 | 119.5° | 120.2° |
| C1 | C6 | H4 | 120.1° | 119.6° |
| C2 | C1 | S1 | 119.7° | 120.2° |
| C1 | C2 | H1 | 120.5° | 120.2° |
| C1 | S1 | N1 | 107.5° | 107.2° |
| C1 | S1 | O2 | 107.5° | 106.4° |
| C1 | S1 | O1 | 104.4° | 106.4° |
| N1 | S1 | O2 | 109.7° | 106.4° |
| N1 | S1 | O1 | 108.2° | 106.4° |
| S1 | N1 | H5 | 109.5° | 120.0° |
| S1 | N1 | H6 | 109.4° | 120.0° |
| O2 | S1 | O1 | 118.9° | 123.2° |
| H5 | N1 | H6 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | S2 | N2 | C7 | 116.8° | 112.1° |
| O4 | S2 | N2 | C3 | 116.9° | 112.1° |
| O4 | S2 | N2 | O3 | 129.3° | 135.9° |
| O4 | S2 | C3 | O3 | 127.5° | 135.7° |
| O4 | S2 | C3 | C4 | 115.8° | 112.2° |
| O4 | S2 | C3 | C2 | 64.8° | 67.7° |
| O4 | S2 | N2 | H2 | 63.2° | 67.8° |
| O5 | C7 | N2 | C4 | 179.7° | 180.0° |
| O5 | C7 | N2 | S2 | 179.6° | 180.0° |
| O5 | C7 | C4 | C5 | 0.6° | 0.1° |
| O5 | C7 | C4 | C3 | 179.3° | 180.0° |
| O5 | C7 | N2 | H2 | 0.5° | 0.1° |
| C7 | N2 | S2 | H2 | 180.0° | 179.9° |
| C7 | N2 | S2 | C3 | 0.1° | 0.1° |
| C7 | N2 | S2 | O3 | 113.9° | 112.0° |
| N2 | C7 | C4 | C5 | 179.8° | 180.0° |
| N2 | C7 | C4 | C3 | 0.4° | 0.0° |
| S2 | N2 | C7 | C4 | 0.1° | 0.0° |
| N2 | S2 | C3 | O3 | 116.4° | 112.0° |
| N2 | S2 | C3 | C4 | 0.4° | 0.1° |
| N2 | S2 | C3 | C2 | 179.0° | 180.0° |
| C7 | C4 | C3 | S2 | 0.4° | 0.0° |
| C7 | C4 | C5 | C3 | 179.9° | 180.0° |
| C7 | C4 | C5 | C6 | 178.6° | 180.0° |
| C7 | C4 | C3 | C2 | 179.0° | 180.0° |
| C4 | C7 | N2 | H2 | 179.9° | 179.9° |
| C7 | C4 | C5 | H3 | 1.4° | 0.0° |
| S2 | C3 | C4 | C5 | 179.7° | 179.9° |
| S2 | C3 | C4 | C2 | 179.5° | 179.9° |
| S2 | C3 | C2 | C1 | 179.2° | 180.0° |
| S2 | C3 | C2 | H1 | 0.9° | 0.4° |
| C3 | S2 | N2 | H2 | 179.9° | 179.9° |
| O3 | S2 | C3 | C4 | 116.7° | 112.0° |
| O3 | S2 | C3 | C2 | 62.7° | 68.0° |
| O3 | S2 | N2 | H2 | 66.1° | 68.1° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | C5 | C6 | C1 | 0.8° | 0.0° |
| C4 | C5 | C6 | H4 | 179.2° | 180.0° |
| C3 | C4 | C5 | C6 | 1.3° | 0.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H1 | 179.8° | 179.7° |
| C3 | C4 | C5 | H3 | 178.7° | 180.0° |
| C5 | C6 | C1 | H4 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.0° |
| C5 | C6 | C1 | S1 | 180.0° | 179.8° |
| C3 | C2 | C1 | C6 | 0.7° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | S1 | 179.5° | 179.7° |
| C6 | C1 | C2 | S1 | 179.8° | 179.8° |
| C6 | C1 | S1 | N1 | 40.0° | 90.3° |
| C6 | C1 | S1 | O2 | 158.0° | 156.2° |
| C6 | C1 | S1 | O1 | 74.8° | 23.3° |
| C6 | C1 | C2 | H1 | 179.3° | 179.7° |
| C1 | C6 | C5 | H3 | 179.2° | 180.0° |
| C2 | C1 | S1 | N1 | 139.9° | 90.0° |
| C2 | C1 | S1 | O2 | 21.8° | 23.6° |
| C2 | C1 | S1 | O1 | 105.4° | 156.4° |
| C2 | C1 | C6 | H4 | 179.8° | 180.0° |
| C1 | S1 | N1 | O2 | 116.6° | 113.5° |
| C1 | S1 | N1 | O1 | 112.2° | 113.5° |
| C1 | S1 | O2 | O1 | 118.2° | 122.9° |
| S1 | C1 | C2 | H1 | 0.5° | 0.0° |
| S1 | C1 | C6 | H4 | 0.0° | 0.2° |
| C1 | S1 | N1 | H5 | 180.0° | 0.1° |
| C1 | S1 | N1 | H6 | 60.0° | 180.0° |
| N1 | S1 | O2 | O1 | 125.2° | 123.0° |
| S1 | N1 | H5 | H6 | 120.0° | 179.9° |
| O2 | S1 | N1 | H5 | 63.4° | 113.6° |
| O2 | S1 | N1 | H6 | 56.6° | 66.5° |
| O1 | S1 | N1 | H5 | 67.7° | 113.5° |
| O1 | S1 | N1 | H6 | 172.2° | 66.5° |
| H3 | C5 | C6 | H4 | 0.8° | 0.0° |
