RA1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | N2 | sing | 1.22Å | 1.21Å | |
| N2 | O3 | doub | 1.22Å | 1.20Å | |
| N2 | C8 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.48Å | |
| C5 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| O2 | C4 | doub | 1.22Å | 1.24Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| C10 | CL | sing | 1.74Å | 1.74Å | |
| N1 | C3 | sing | 1.40Å | 1.40Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C | sing | 1.38Å | 1.43Å | Aromatic |
| C | S | sing | 1.76Å | 1.70Å | |
| N | S | sing | 1.66Å | 1.59Å | |
| O1 | S | doub | 1.42Å | 1.45Å | |
| S | O | doub | 1.42Å | 1.44Å | |
| C9 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| N | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | N2 | O3 | 121.3° | 120.0° |
| O4 | N2 | C8 | 118.5° | 120.0° |
| O3 | N2 | C8 | 120.2° | 120.0° |
| N2 | C8 | C7 | 116.9° | 119.8° |
| N2 | C8 | C9 | 119.5° | 119.9° |
| C8 | C7 | C6 | 118.0° | 120.2° |
| C7 | C8 | C9 | 123.6° | 120.3° |
| C8 | C7 | H2 | 121.0° | 119.9° |
| C7 | C6 | C5 | 119.5° | 119.9° |
| C6 | C7 | H2 | 121.0° | 120.0° |
| C7 | C6 | H3 | 120.3° | 120.0° |
| C8 | C9 | C10 | 118.5° | 120.1° |
| C8 | C9 | H1 | 120.7° | 119.9° |
| C6 | C5 | C4 | 114.6° | 120.2° |
| C6 | C5 | C10 | 123.2° | 119.7° |
| C5 | C6 | H3 | 120.3° | 120.1° |
| C9 | C10 | C5 | 117.2° | 119.8° |
| C9 | C10 | CL | 115.0° | 120.1° |
| C10 | C9 | H1 | 120.8° | 119.9° |
| C4 | C5 | C10 | 122.1° | 120.2° |
| C5 | C4 | O2 | 122.0° | 120.0° |
| C5 | C4 | N1 | 117.1° | 120.0° |
| C5 | C10 | CL | 127.8° | 120.1° |
| O2 | C4 | N1 | 120.7° | 120.0° |
| C4 | N1 | C3 | 128.4° | 120.0° |
| C4 | N1 | H4 | 115.8° | 120.0° |
| N1 | C3 | C2 | 127.1° | 120.0° |
| N1 | C3 | C11 | 113.2° | 120.1° |
| C3 | N1 | H4 | 115.8° | 120.0° |
| C2 | C3 | C11 | 119.7° | 119.9° |
| C3 | C2 | C1 | 119.8° | 119.9° |
| C3 | C2 | H5 | 120.1° | 120.0° |
| C3 | C11 | C12 | 119.4° | 119.9° |
| C3 | C11 | H7 | 120.3° | 120.1° |
| C2 | C1 | C | 122.7° | 120.1° |
| C1 | C2 | H5 | 120.1° | 120.1° |
| C2 | C1 | H6 | 118.6° | 119.9° |
| C11 | C12 | C | 121.6° | 120.1° |
| C12 | C11 | H7 | 120.3° | 120.0° |
| C11 | C12 | H8 | 119.2° | 119.9° |
| C1 | C | C12 | 116.7° | 120.1° |
| C1 | C | S | 121.3° | 119.9° |
| C | C1 | H6 | 118.6° | 120.0° |
| C12 | C | S | 122.0° | 119.9° |
| C | C12 | H8 | 119.2° | 119.9° |
| C | S | N | 107.0° | 107.2° |
| C | S | O1 | 105.7° | 106.4° |
| C | S | O | 107.1° | 106.4° |
| N | S | O1 | 111.9° | 106.4° |
| N | S | O | 107.9° | 106.4° |
| S | N | H9 | 109.5° | 120.0° |
| S | N | H10 | 109.5° | 120.0° |
| O1 | S | O | 116.7° | 123.2° |
| H9 | N | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | N2 | O3 | C8 | 179.8° | 180.0° |
| O4 | N2 | C8 | C7 | 39.6° | 0.0° |
| O4 | N2 | C8 | C9 | 140.2° | 180.0° |
| O3 | N2 | C8 | C7 | 140.6° | 180.0° |
| O3 | N2 | C8 | C9 | 39.6° | 0.0° |
| N2 | C8 | C7 | C9 | 179.9° | 179.9° |
| N2 | C8 | C7 | C6 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 178.9° | 180.0° |
| N2 | C8 | C9 | H1 | 1.1° | 0.1° |
| N2 | C8 | C7 | H2 | 0.1° | 0.1° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.8° | 0.3° |
| C7 | C8 | C9 | C10 | 1.0° | 0.0° |
| C7 | C8 | C9 | H1 | 179.0° | 180.0° |
| C8 | C7 | C6 | H3 | 179.2° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C7 | C6 | C5 | H3 | 180.0° | 179.7° |
| C7 | C6 | C5 | C4 | 178.8° | 180.0° |
| C7 | C6 | C5 | C10 | 0.5° | 0.5° |
| C8 | C9 | C10 | H1 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 1.2° | 0.2° |
| C8 | C9 | C10 | CL | 179.5° | 180.0° |
| C9 | C8 | C7 | H2 | 179.9° | 180.0° |
| C6 | C5 | C10 | C9 | 0.6° | 0.5° |
| C6 | C5 | C4 | C10 | 178.4° | 179.5° |
| C6 | C5 | C4 | O2 | 62.0° | 179.9° |
| C6 | C5 | C4 | N1 | 122.8° | 0.0° |
| C6 | C5 | C10 | CL | 178.6° | 179.8° |
| C5 | C6 | C7 | H2 | 179.2° | 179.8° |
| C9 | C10 | C5 | C4 | 177.7° | 180.0° |
| C9 | C10 | C5 | CL | 178.0° | 179.8° |
| C5 | C4 | O2 | N1 | 175.0° | 180.0° |
| C4 | C5 | C10 | CL | 0.4° | 0.2° |
| C5 | C4 | N1 | C3 | 175.9° | 174.7° |
| C4 | C5 | C6 | H3 | 1.2° | 0.2° |
| C5 | C4 | N1 | H4 | 4.1° | 5.3° |
| C10 | C5 | C4 | O2 | 116.3° | 0.5° |
| C10 | C5 | C4 | N1 | 58.9° | 179.5° |
| C5 | C10 | C9 | H1 | 178.8° | 179.8° |
| C10 | C5 | C6 | H3 | 179.5° | 179.8° |
| O2 | C4 | N1 | C3 | 0.6° | 5.2° |
| O2 | C4 | N1 | H4 | 179.4° | 174.7° |
| C4 | N1 | C3 | H4 | 180.0° | 180.0° |
| C4 | N1 | C3 | C2 | 6.1° | 146.8° |
| C4 | N1 | C3 | C11 | 172.2° | 33.4° |
| CL | C10 | C9 | H1 | 0.5° | 0.0° |
| N1 | C3 | C2 | C11 | 178.2° | 179.7° |
| N1 | C3 | C2 | C1 | 178.9° | 180.0° |
| N1 | C3 | C11 | C12 | 177.0° | 180.0° |
| N1 | C3 | C2 | H5 | 1.1° | 0.1° |
| N1 | C3 | C11 | H7 | 3.0° | 0.1° |
| C3 | C2 | C1 | H5 | 180.0° | 179.9° |
| C2 | C3 | C11 | C12 | 1.5° | 0.2° |
| C3 | C2 | C1 | C | 2.3° | 0.0° |
| C2 | C3 | N1 | H4 | 173.9° | 33.1° |
| C3 | C2 | C1 | H6 | 177.7° | 180.0° |
| C2 | C3 | C11 | H7 | 178.5° | 179.6° |
| C11 | C3 | C2 | C1 | 0.7° | 0.3° |
| C3 | C11 | C12 | H7 | 180.0° | 179.9° |
| C3 | C11 | C12 | C | 2.1° | 0.1° |
| C11 | C3 | N1 | H4 | 7.8° | 146.6° |
| C11 | C3 | C2 | H5 | 179.4° | 179.8° |
| C3 | C11 | C12 | H8 | 178.0° | 180.0° |
| C2 | C1 | C | H6 | 180.0° | 180.0° |
| C2 | C1 | C | C12 | 1.7° | 0.3° |
| C2 | C1 | C | S | 177.0° | 180.0° |
| C11 | C12 | C | C1 | 0.5° | 0.4° |
| C11 | C12 | C | H8 | 180.0° | 179.9° |
| C11 | C12 | C | S | 179.2° | 179.9° |
| C1 | C | C12 | S | 178.7° | 179.7° |
| C1 | C | S | N | 131.3° | 90.0° |
| C1 | C | S | O1 | 11.8° | 23.5° |
| C1 | C | S | O | 113.3° | 156.5° |
| C | C1 | C2 | H5 | 177.7° | 179.9° |
| C1 | C | C12 | H8 | 179.5° | 179.7° |
| C12 | C | S | N | 47.4° | 89.7° |
| C12 | C | S | O1 | 166.9° | 156.8° |
| C12 | C | S | O | 68.1° | 23.8° |
| C12 | C | C1 | H6 | 178.3° | 179.7° |
| C | C12 | C11 | H7 | 177.9° | 180.0° |
| C | S | N | O1 | 115.4° | 113.5° |
| C | S | N | O | 114.9° | 113.5° |
| C | S | O1 | O | 118.9° | 123.0° |
| S | C | C1 | H6 | 3.0° | 0.0° |
| S | C | C12 | H8 | 0.8° | 0.0° |
| C | S | N | H9 | 180.0° | 150.0° |
| C | S | N | H10 | 60.0° | 30.0° |
| N | S | O1 | O | 124.9° | 123.0° |
| S | N | H9 | H10 | 120.0° | 180.0° |
| O1 | S | N | H9 | 64.6° | 96.5° |
| O1 | S | N | H10 | 55.4° | 83.5° |
| O | S | N | H9 | 65.0° | 36.5° |
| O | S | N | H10 | 174.9° | 143.5° |
| H2 | C7 | C6 | H3 | 0.8° | 0.1° |
| H5 | C2 | C1 | H6 | 2.3° | 0.0° |
| H7 | C11 | C12 | H8 | 2.1° | 0.2° |
