RA9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N1 | sing | 1.38Å | 1.41Å | Aromatic |
| N2 | C9 | doub | 1.30Å | 1.35Å | Aromatic |
| N1 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | S | sing | 1.81Å | 1.77Å | |
| C9 | N3 | sing | 1.39Å | 1.35Å | |
| C9 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C8 | S | sing | 1.76Å | 1.73Å | |
| C8 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C6 | N | sing | 1.35Å | 1.38Å | |
| C6 | O | doub | 1.21Å | 1.23Å | |
| N | C5 | sing | 1.40Å | 1.38Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | S2 | sing | 1.76Å | 1.68Å | |
| N4 | S2 | sing | 1.66Å | 1.61Å | |
| O2 | S2 | doub | 1.42Å | 1.44Å | |
| S2 | O1 | doub | 1.42Å | 1.46Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| N4 | H2 | sing | 0.97Å | 1.00Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N2 | C9 | 109.2° | 115.6° |
| N2 | N1 | C8 | 109.0° | 115.6° |
| N2 | C9 | N3 | 121.0° | 125.4° |
| N2 | C9 | S1 | 119.0° | 109.2° |
| N1 | C8 | S | 121.7° | 125.4° |
| N1 | C8 | S1 | 119.6° | 109.2° |
| C6 | C7 | S | 106.9° | 109.5° |
| C7 | C6 | N | 119.2° | 120.0° |
| C7 | C6 | O | 110.2° | 120.0° |
| C6 | C7 | H8 | 110.1° | 109.5° |
| C6 | C7 | H9 | 110.1° | 109.5° |
| C7 | S | C8 | 101.5° | 103.0° |
| S | C7 | H8 | 110.1° | 109.4° |
| S | C7 | H9 | 110.1° | 109.5° |
| N3 | C9 | S1 | 119.9° | 125.4° |
| C9 | N3 | H10 | 109.5° | 120.0° |
| C9 | N3 | H11 | 109.5° | 120.0° |
| C9 | S1 | C8 | 83.1° | 90.4° |
| S | C8 | S1 | 118.7° | 125.4° |
| N | C6 | O | 130.5° | 120.0° |
| C6 | N | C5 | 127.5° | 120.0° |
| C6 | N | H7 | 116.2° | 120.1° |
| N | C5 | C4 | 121.6° | 120.1° |
| N | C5 | C | 120.3° | 120.1° |
| C5 | N | H7 | 116.3° | 120.0° |
| C4 | C5 | C | 118.0° | 119.8° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C5 | C4 | H5 | 119.7° | 120.0° |
| C5 | C | C1 | 121.3° | 119.9° |
| C5 | C | H6 | 119.4° | 120.0° |
| C4 | C3 | C2 | 123.3° | 120.0° |
| C4 | C3 | H4 | 118.4° | 120.0° |
| C3 | C4 | H5 | 119.7° | 120.0° |
| C | C1 | C2 | 121.3° | 120.1° |
| C | C1 | H3 | 119.4° | 120.0° |
| C1 | C | H6 | 119.4° | 120.1° |
| C3 | C2 | C1 | 115.6° | 120.1° |
| C3 | C2 | S2 | 121.8° | 119.9° |
| C2 | C3 | H4 | 118.3° | 120.0° |
| C1 | C2 | S2 | 122.6° | 120.0° |
| C2 | C1 | H3 | 119.4° | 119.9° |
| C2 | S2 | N4 | 107.9° | 107.2° |
| C2 | S2 | O2 | 105.3° | 106.4° |
| C2 | S2 | O1 | 106.1° | 106.4° |
| N4 | S2 | O2 | 110.1° | 106.4° |
| N4 | S2 | O1 | 110.5° | 106.4° |
| S2 | N4 | H1 | 109.5° | 120.0° |
| S2 | N4 | H2 | 109.5° | 120.1° |
| O2 | S2 | O1 | 116.4° | 123.1° |
| H1 | N4 | H2 | 109.5° | 120.0° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | N3 | H11 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N2 | C9 | N3 | 179.8° | 179.8° |
| N1 | N2 | C9 | S1 | 0.0° | 0.1° |
| N2 | N1 | C8 | S | 179.9° | 180.0° |
| N2 | N1 | C8 | S1 | 0.2° | 0.3° |
| C9 | N2 | N1 | C8 | 0.1° | 0.1° |
| N2 | C9 | N3 | S1 | 179.7° | 179.7° |
| N2 | C9 | S1 | C8 | 0.1° | 0.2° |
| N2 | C9 | N3 | H10 | 0.0° | 179.7° |
| N2 | C9 | N3 | H11 | 120.0° | 0.4° |
| N1 | C8 | S | C7 | 12.3° | 0.3° |
| N1 | C8 | S1 | C9 | 0.2° | 0.3° |
| N1 | C8 | S | S1 | 179.9° | 179.7° |
| C6 | C7 | S | H8 | 119.6° | 120.0° |
| C6 | C7 | S | H9 | 119.6° | 120.0° |
| C6 | C7 | S | C8 | 160.5° | 180.0° |
| C7 | C6 | N | O | 177.0° | 180.0° |
| C7 | C6 | N | C5 | 173.6° | 174.7° |
| C7 | C6 | N | H7 | 6.4° | 5.3° |
| C6 | C7 | H8 | H9 | 121.2° | 120.0° |
| C7 | S | C8 | S1 | 167.7° | 180.0° |
| S | C7 | C6 | N | 131.3° | 180.0° |
| S | C7 | C6 | O | 46.3° | 0.0° |
| S | C7 | H8 | H9 | 121.2° | 120.0° |
| N3 | C9 | S1 | C8 | 179.9° | 179.9° |
| C9 | N3 | H10 | H11 | 120.0° | 179.9° |
| C9 | S1 | C8 | S | 179.9° | 180.0° |
| S1 | C9 | N3 | H10 | 179.7° | 0.0° |
| S1 | C9 | N3 | H11 | 60.3° | 179.9° |
| C8 | S | C7 | H8 | 79.9° | 60.0° |
| C8 | S | C7 | H9 | 40.9° | 60.0° |
| C6 | N | C5 | H7 | 180.0° | 179.9° |
| C6 | N | C5 | C4 | 168.4° | 33.3° |
| C6 | N | C5 | C | 8.2° | 147.0° |
| N | C6 | C7 | H8 | 109.2° | 60.0° |
| N | C6 | C7 | H9 | 11.7° | 60.0° |
| O | C6 | N | C5 | 3.4° | 5.3° |
| O | C6 | N | H7 | 176.6° | 174.7° |
| O | C6 | C7 | H8 | 73.3° | 120.0° |
| O | C6 | C7 | H9 | 165.9° | 120.0° |
| N | C5 | C4 | C | 176.6° | 179.8° |
| N | C5 | C4 | C3 | 178.5° | 180.0° |
| N | C5 | C | C1 | 178.9° | 180.0° |
| N | C5 | C4 | H5 | 1.5° | 0.0° |
| N | C5 | C | H6 | 1.1° | 0.2° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C4 | C5 | C | C1 | 2.3° | 0.2° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C5 | C4 | C3 | H4 | 179.0° | 180.0° |
| C4 | C5 | C | H6 | 177.7° | 180.0° |
| C4 | C5 | N | H7 | 11.6° | 146.7° |
| C | C5 | C4 | C3 | 1.9° | 0.3° |
| C5 | C | C1 | H6 | 180.0° | 179.8° |
| C5 | C | C1 | C2 | 1.8° | 0.1° |
| C5 | C | C1 | H3 | 178.2° | 179.9° |
| C | C5 | C4 | H5 | 178.1° | 179.8° |
| C | C5 | N | H7 | 171.8° | 33.1° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.3° |
| C4 | C3 | C2 | S2 | 179.2° | 179.9° |
| C | C1 | C2 | C3 | 0.8° | 0.3° |
| C | C1 | C2 | H3 | 180.0° | 180.0° |
| C | C1 | C2 | S2 | 179.5° | 180.0° |
| C3 | C2 | C1 | S2 | 178.7° | 179.7° |
| C3 | C2 | S2 | N4 | 129.0° | 90.3° |
| C3 | C2 | S2 | O2 | 11.3° | 156.2° |
| C3 | C2 | S2 | O1 | 112.6° | 23.2° |
| C3 | C2 | C1 | H3 | 179.1° | 179.7° |
| C2 | C3 | C4 | H5 | 179.0° | 180.0° |
| C1 | C2 | S2 | N4 | 49.7° | 90.0° |
| C1 | C2 | S2 | O2 | 167.3° | 23.5° |
| C1 | C2 | S2 | O1 | 68.7° | 156.4° |
| C1 | C2 | C3 | H4 | 179.5° | 179.7° |
| C2 | C1 | C | H6 | 178.2° | 179.7° |
| C2 | S2 | N4 | O2 | 114.5° | 113.6° |
| C2 | S2 | N4 | O1 | 115.6° | 113.6° |
| C2 | S2 | O2 | O1 | 117.2° | 123.0° |
| C2 | S2 | N4 | H1 | 180.0° | 120.0° |
| C2 | S2 | N4 | H2 | 60.0° | 59.9° |
| S2 | C2 | C1 | H3 | 0.4° | 0.0° |
| S2 | C2 | C3 | H4 | 0.8° | 0.1° |
| N4 | S2 | O2 | O1 | 126.7° | 122.9° |
| S2 | N4 | H1 | H2 | 120.0° | 179.9° |
| O2 | S2 | N4 | H1 | 65.5° | 6.4° |
| O2 | S2 | N4 | H2 | 54.5° | 173.5° |
| O1 | S2 | N4 | H1 | 64.5° | 126.5° |
| O1 | S2 | N4 | H2 | 175.6° | 53.6° |
| H3 | C1 | C | H6 | 1.8° | 0.2° |
| H4 | C3 | C4 | H5 | 1.0° | 0.0° |
