IGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | S2 | sing | 1.76Å | 1.75Å | Aromatic |
| C4 | C5 | doub | 1.33Å | 1.34Å | Aromatic |
| S2 | C3 | sing | 1.76Å | 1.74Å | Aromatic |
| C5 | C2 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.53Å | |
| C2 | S1 | sing | 1.76Å | 1.66Å | |
| C1 | N1 | sing | 1.46Å | 1.41Å | |
| S1 | O2 | doub | 1.42Å | 1.45Å | |
| S1 | N1 | sing | 1.66Å | 1.68Å | |
| S1 | O1 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C4 | S2 | 118.1° | 125.2° |
| C7 | C4 | C5 | 126.6° | 125.2° |
| C4 | C7 | H6 | 109.5° | 109.5° |
| C4 | C7 | H7 | 109.5° | 109.5° |
| C4 | C7 | H8 | 109.4° | 109.5° |
| S2 | C4 | C5 | 115.3° | 109.6° |
| C4 | S2 | C3 | 88.3° | 91.0° |
| C4 | C5 | C2 | 110.1° | 114.9° |
| C4 | C5 | H5 | 124.9° | 122.5° |
| S2 | C3 | C2 | 113.1° | 109.6° |
| S2 | C3 | C6 | 119.5° | 125.2° |
| C5 | C2 | C3 | 113.1° | 114.9° |
| C5 | C2 | S1 | 125.0° | 122.5° |
| C2 | C5 | H5 | 124.9° | 122.6° |
| C2 | C3 | C6 | 127.1° | 125.2° |
| C3 | C2 | S1 | 121.7° | 122.6° |
| C3 | C6 | H9 | 109.5° | 109.5° |
| C3 | C6 | H10 | 109.5° | 109.5° |
| C3 | C6 | H11 | 109.5° | 109.4° |
| C2 | S1 | O2 | 108.6° | 106.4° |
| C2 | S1 | N1 | 105.2° | 107.2° |
| C2 | S1 | O1 | 112.9° | 106.4° |
| C1 | N1 | S1 | 120.4° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.4° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.4° |
| C1 | N1 | H4 | 106.7° | 120.0° |
| O2 | S1 | N1 | 114.0° | 106.4° |
| O2 | S1 | O1 | 114.8° | 123.1° |
| N1 | S1 | O1 | 100.9° | 106.4° |
| S1 | N1 | H4 | 106.7° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H6 | C7 | H8 | 109.4° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C4 | S2 | C5 | 177.0° | 179.7° |
| C7 | C4 | S2 | C3 | 179.5° | 180.0° |
| C7 | C4 | C5 | C2 | 177.9° | 179.8° |
| C7 | C4 | C5 | H5 | 2.1° | 0.3° |
| C4 | C7 | H6 | H7 | 120.0° | 120.0° |
| C4 | C7 | H6 | H8 | 120.0° | 120.0° |
| C4 | C7 | H7 | H8 | 120.0° | 120.1° |
| S2 | C4 | C5 | C2 | 1.2° | 0.5° |
| C4 | S2 | C3 | C2 | 3.2° | 0.0° |
| C4 | S2 | C3 | C6 | 177.3° | 180.0° |
| S2 | C4 | C5 | H5 | 178.8° | 180.0° |
| S2 | C4 | C7 | H6 | 0.0° | 0.0° |
| S2 | C4 | C7 | H7 | 120.0° | 120.0° |
| S2 | C4 | C7 | H8 | 120.0° | 120.0° |
| C5 | C4 | S2 | C3 | 2.5° | 0.3° |
| C4 | C5 | C2 | H5 | 180.0° | 179.4° |
| C4 | C5 | C2 | C3 | 1.3° | 0.6° |
| C4 | C5 | C2 | S1 | 176.3° | 179.8° |
| C5 | C4 | C7 | H6 | 176.7° | 179.7° |
| C5 | C4 | C7 | H7 | 56.6° | 59.7° |
| C5 | C4 | C7 | H8 | 63.3° | 60.4° |
| S2 | C3 | C2 | C5 | 3.2° | 0.3° |
| S2 | C3 | C2 | C6 | 173.6° | 180.0° |
| S2 | C3 | C2 | S1 | 178.4° | 180.0° |
| S2 | C3 | C6 | H9 | 0.0° | 95.3° |
| S2 | C3 | C6 | H10 | 120.0° | 24.7° |
| S2 | C3 | C6 | H11 | 120.0° | 144.7° |
| C5 | C2 | C3 | S1 | 175.2° | 179.7° |
| C5 | C2 | C3 | C6 | 176.8° | 179.7° |
| C5 | C2 | S1 | O2 | 14.9° | 1.8° |
| C5 | C2 | S1 | N1 | 107.5° | 115.4° |
| C5 | C2 | S1 | O1 | 143.3° | 131.1° |
| C3 | C2 | S1 | O2 | 159.8° | 178.5° |
| C3 | C2 | S1 | N1 | 77.9° | 64.9° |
| C3 | C2 | S1 | O1 | 31.3° | 48.6° |
| C3 | C2 | C5 | H5 | 178.7° | 180.0° |
| C2 | C3 | C6 | H9 | 173.2° | 84.7° |
| C2 | C3 | C6 | H10 | 66.8° | 155.3° |
| C2 | C3 | C6 | H11 | 53.2° | 35.3° |
| C6 | C3 | C2 | S1 | 8.0° | 0.0° |
| C3 | C6 | H9 | H10 | 120.0° | 120.0° |
| C3 | C6 | H9 | H11 | 120.0° | 119.9° |
| C3 | C6 | H10 | H11 | 120.0° | 119.9° |
| C2 | S1 | N1 | C1 | 56.2° | 64.6° |
| C2 | S1 | O2 | N1 | 116.9° | 114.1° |
| C2 | S1 | O2 | O1 | 127.4° | 122.9° |
| C2 | S1 | N1 | O1 | 117.6° | 113.5° |
| C2 | S1 | N1 | H4 | 177.8° | 115.4° |
| S1 | C2 | C5 | H5 | 3.7° | 0.3° |
| C1 | N1 | S1 | O2 | 62.6° | 49.0° |
| C1 | N1 | S1 | H4 | 121.5° | 180.0° |
| C1 | N1 | S1 | O1 | 173.8° | 178.1° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O2 | S1 | N1 | O1 | 123.5° | 132.9° |
| O2 | S1 | N1 | H4 | 58.9° | 131.0° |
| S1 | N1 | C1 | H1 | 180.0° | 64.9° |
| S1 | N1 | C1 | H2 | 60.0° | 55.1° |
| S1 | N1 | C1 | H3 | 60.0° | 175.0° |
| O1 | S1 | N1 | H4 | 64.6° | 1.8° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N1 | H4 | 58.5° | 115.0° |
| H2 | C1 | N1 | H4 | 61.5° | 125.0° |
| H3 | C1 | N1 | H4 | 178.5° | 5.0° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H9 | C6 | H10 | H11 | 120.0° | 120.0° |
