FO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C2 | S | sing | 1.81Å | 1.82Å | |
| N2 | C7 | sing | 1.37Å | 1.32Å | |
| O1 | S2 | doub | 1.42Å | 1.44Å | |
| S2 | O | doub | 1.42Å | 1.44Å | |
| S2 | N6 | sing | 1.66Å | 1.61Å | |
| S2 | N5 | sing | 1.66Å | 1.67Å | |
| N5 | C | doub | 1.29Å | 1.38Å | |
| C | N | sing | 1.37Å | 1.34Å | |
| S | C3 | sing | 1.81Å | 1.82Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C4 | N4 | doub | 1.29Å | 1.38Å | |
| C4 | C5 | sing | 1.52Å | 1.35Å | |
| N4 | C6 | sing | 1.32Å | 1.33Å | |
| C6 | S1 | doub | 1.57Å | 1.71Å | |
| S1 | C5 | sing | 1.83Å | 1.72Å | |
| N1 | C7 | doub | 1.32Å | 1.36Å | |
| C7 | N3 | sing | 1.37Å | 1.31Å | |
| C6 | N1 | sing | 1.34Å | 1.76Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| S1 | H12 | sing | 1.34Å | 1.30Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 113.3° | 109.5° |
| C1 | C2 | S | 114.8° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H2 | 108.5° | 109.5° |
| C1 | C2 | H3 | 108.1° | 109.5° |
| C1 | C2 | H4 | 108.1° | 109.5° |
| C1 | C | N5 | 125.3° | 120.0° |
| C1 | C | N | 118.1° | 120.0° |
| C | C1 | H1 | 108.5° | 109.4° |
| C | C1 | H2 | 108.5° | 109.4° |
| C2 | S | C3 | 103.6° | 103.0° |
| S | C2 | H3 | 108.1° | 109.5° |
| S | C2 | H4 | 108.1° | 109.4° |
| N2 | C7 | N1 | 121.8° | 120.0° |
| N2 | C7 | N3 | 120.6° | 120.0° |
| C7 | N2 | H5 | 120.0° | 120.0° |
| C7 | N2 | H17 | 120.0° | 119.9° |
| O1 | S2 | O | 123.5° | 123.2° |
| O1 | S2 | N6 | 106.7° | 106.4° |
| O1 | S2 | N5 | 105.7° | 106.4° |
| O | S2 | N6 | 111.7° | 106.4° |
| O | S2 | N5 | 102.0° | 106.4° |
| N6 | S2 | N5 | 105.6° | 107.2° |
| S2 | N6 | H6 | 109.5° | 120.0° |
| S2 | N6 | H7 | 109.5° | 120.0° |
| S2 | N5 | C | 123.5° | 120.0° |
| N5 | C | N | 116.6° | 120.0° |
| C | N | H9 | 120.0° | 120.0° |
| C | N | H8 | 120.0° | 120.1° |
| S | C3 | C4 | 113.4° | 109.5° |
| S | C3 | H10 | 108.5° | 109.5° |
| S | C3 | H11 | 108.5° | 109.5° |
| C3 | C4 | N4 | 118.5° | 125.1° |
| C3 | C4 | C5 | 126.3° | 125.2° |
| C4 | C3 | H10 | 108.5° | 109.5° |
| C4 | C3 | H11 | 108.5° | 109.5° |
| N4 | C4 | C5 | 115.2° | 109.7° |
| C4 | N4 | C6 | 109.4° | 122.7° |
| C4 | C5 | S1 | 111.1° | 100.7° |
| C4 | C5 | H13 | 109.0° | 111.2° |
| C4 | C5 | H18 | 109.1° | 111.2° |
| N4 | C6 | S1 | 115.8° | 110.4° |
| N4 | C6 | N1 | 93.9° | 124.8° |
| C6 | S1 | C5 | 88.6° | 96.4° |
| S1 | C6 | N1 | 106.7° | 124.8° |
| C6 | S1 | H12 | 114.4° | 103.0° |
| S1 | C5 | H13 | 109.1° | 111.3° |
| C5 | S1 | H12 | 114.4° | 103.2° |
| S1 | C5 | H18 | 109.1° | 111.1° |
| N1 | C7 | N3 | 117.6° | 120.0° |
| C7 | N1 | C6 | 158.2° | 120.0° |
| C7 | N3 | H15 | 120.0° | 120.0° |
| C7 | N3 | H16 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | N2 | H17 | 120.0° | 120.1° |
| H6 | N6 | H7 | 109.5° | 120.0° |
| H9 | N | H8 | 120.0° | 120.0° |
| H10 | C3 | H11 | 109.5° | 109.4° |
| H13 | C5 | H18 | 109.5° | 111.0° |
| H15 | N3 | H16 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | H1 | 120.5° | 120.0° |
| C2 | C1 | C | H2 | 120.6° | 120.0° |
| C1 | C2 | S | H3 | 120.8° | 120.0° |
| C1 | C2 | S | H4 | 120.8° | 120.0° |
| C2 | C1 | C | N5 | 64.3° | 0.0° |
| C2 | C1 | C | N | 115.5° | 180.0° |
| C1 | C2 | S | C3 | 79.1° | 180.0° |
| C2 | C1 | H1 | H2 | 118.3° | 120.1° |
| C1 | C2 | H3 | H4 | 117.6° | 120.0° |
| C | C1 | C2 | S | 91.5° | 180.0° |
| C1 | C | N5 | S2 | 171.6° | 180.0° |
| C1 | C | N5 | N | 179.8° | 179.9° |
| C | C1 | H1 | H2 | 118.3° | 119.9° |
| C | C1 | C2 | H3 | 147.8° | 60.0° |
| C | C1 | C2 | H4 | 29.3° | 60.0° |
| C1 | C | N | H9 | 179.9° | 0.0° |
| C1 | C | N | H8 | 0.2° | 180.0° |
| C2 | S | C3 | C4 | 176.2° | 180.0° |
| S | C2 | C1 | H1 | 148.0° | 60.0° |
| S | C2 | C1 | H2 | 29.1° | 60.0° |
| S | C2 | H3 | H4 | 117.6° | 120.0° |
| C2 | S | C3 | H10 | 63.2° | 60.0° |
| C2 | S | C3 | H11 | 55.6° | 60.0° |
| N2 | C7 | N1 | N3 | 179.2° | 180.0° |
| N2 | C7 | N1 | C6 | 56.6° | 7.6° |
| C7 | N2 | H5 | H17 | 180.0° | 180.0° |
| N2 | C7 | N3 | H15 | 179.2° | 0.0° |
| N2 | C7 | N3 | H16 | 0.8° | 180.0° |
| O1 | S2 | O | N6 | 129.5° | 123.0° |
| O1 | S2 | O | N5 | 118.2° | 122.9° |
| O1 | S2 | N6 | N5 | 112.1° | 113.5° |
| O1 | S2 | N5 | C | 51.0° | 66.4° |
| O1 | S2 | N6 | H6 | 180.0° | 113.5° |
| O1 | S2 | N6 | H7 | 60.0° | 66.5° |
| O | S2 | N6 | N5 | 110.1° | 113.5° |
| O | S2 | N5 | C | 178.7° | 66.5° |
| O | S2 | N6 | H6 | 42.2° | 113.5° |
| O | S2 | N6 | H7 | 162.3° | 66.5° |
| N6 | S2 | N5 | C | 61.9° | 180.0° |
| S2 | N6 | H6 | H7 | 120.0° | 180.0° |
| S2 | N5 | C | N | 8.6° | 0.0° |
| N5 | S2 | N6 | H6 | 67.8° | 0.0° |
| N5 | S2 | N6 | H7 | 52.2° | 180.0° |
| N5 | C | C1 | H1 | 56.2° | 120.0° |
| N5 | C | C1 | H2 | 175.1° | 120.1° |
| N5 | C | N | H9 | 0.0° | 179.9° |
| N5 | C | N | H8 | 180.0° | 0.0° |
| N | C | C1 | H1 | 124.0° | 60.0° |
| N | C | C1 | H2 | 5.1° | 60.0° |
| C | N | H9 | H8 | 179.9° | 180.0° |
| S | C3 | C4 | H10 | 120.6° | 120.0° |
| S | C3 | C4 | H11 | 120.6° | 120.0° |
| S | C3 | C4 | N4 | 27.4° | 0.0° |
| S | C3 | C4 | C5 | 151.7° | 179.7° |
| C3 | S | C2 | H3 | 41.7° | 60.0° |
| C3 | S | C2 | H4 | 160.1° | 60.0° |
| S | C3 | H10 | H11 | 118.3° | 120.0° |
| C3 | C4 | N4 | C5 | 179.1° | 179.7° |
| C3 | C4 | N4 | C6 | 179.1° | 180.0° |
| C3 | C4 | C5 | S1 | 179.0° | 179.9° |
| C4 | C3 | H10 | H11 | 118.2° | 120.0° |
| C3 | C4 | C5 | H13 | 58.7° | 62.1° |
| C3 | C4 | C5 | H18 | 60.8° | 62.1° |
| C4 | N4 | C6 | S1 | 0.1° | 0.1° |
| N4 | C4 | C5 | S1 | 0.1° | 0.4° |
| C4 | N4 | C6 | N1 | 110.7° | 180.0° |
| N4 | C4 | C3 | H10 | 148.0° | 120.0° |
| N4 | C4 | C3 | H11 | 93.2° | 120.0° |
| N4 | C4 | C5 | H13 | 120.3° | 117.6° |
| N4 | C4 | C5 | H18 | 120.2° | 118.1° |
| C5 | C4 | N4 | C6 | 0.1° | 0.2° |
| C4 | C5 | S1 | C6 | 0.0° | 0.4° |
| C4 | C5 | S1 | H13 | 120.2° | 117.9° |
| C4 | C5 | S1 | H18 | 120.2° | 117.8° |
| C5 | C4 | C3 | H10 | 31.1° | 59.7° |
| C5 | C4 | C3 | H11 | 87.7° | 60.3° |
| C4 | C5 | H13 | H18 | 119.2° | 124.3° |
| C4 | C5 | S1 | H12 | 116.3° | 104.7° |
| N4 | C6 | S1 | N1 | 102.9° | 179.9° |
| N4 | C6 | S1 | C5 | 0.0° | 0.3° |
| N4 | C6 | N1 | C7 | 96.2° | 5.0° |
| N4 | C6 | S1 | H12 | 116.2° | 104.9° |
| C6 | S1 | C5 | H12 | 116.3° | 105.0° |
| S1 | C6 | N1 | C7 | 22.2° | 175.2° |
| C6 | S1 | C5 | H13 | 120.3° | 117.5° |
| C6 | S1 | C5 | H18 | 120.2° | 118.2° |
| C5 | S1 | C6 | N1 | 102.9° | 179.8° |
| S1 | C5 | H13 | H18 | 119.3° | 124.3° |
| N1 | C7 | N2 | H5 | 179.2° | 25.9° |
| N1 | C7 | N3 | H15 | 0.0° | 180.0° |
| N1 | C7 | N3 | H16 | 180.0° | 0.0° |
| N1 | C7 | N2 | H17 | 0.8° | 154.1° |
| N3 | C7 | N1 | C6 | 124.2° | 172.4° |
| N3 | C7 | N2 | H5 | 0.0° | 154.1° |
| C7 | N3 | H15 | H16 | 180.0° | 180.0° |
| N3 | C7 | N2 | H17 | 180.0° | 25.9° |
| N1 | C6 | S1 | H12 | 13.3° | 75.0° |
| H1 | C1 | C2 | H3 | 27.2° | 60.0° |
| H1 | C1 | C2 | H4 | 91.3° | 180.0° |
| H2 | C1 | C2 | H3 | 91.7° | 180.0° |
| H2 | C1 | C2 | H4 | 149.9° | 59.9° |
| H13 | C5 | S1 | H12 | 123.4° | 137.4° |
| H12 | S1 | C5 | H18 | 3.9° | 13.2° |
