9RX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C26 | doub | 1.21Å | 1.26Å | |
| O27 | C26 | sing | 1.35Å | 1.26Å | |
| C26 | C03 | sing | 1.48Å | 1.52Å | |
| N09 | N08 | sing | 1.40Å | 1.33Å | Aromatic |
| N09 | C10 | doub | 1.31Å | 1.31Å | Aromatic |
| N08 | C07 | sing | 1.35Å | 1.32Å | Aromatic |
| C10 | S12 | sing | 1.76Å | 1.81Å | |
| C10 | N11 | sing | 1.33Å | 1.35Å | Aromatic |
| S12 | C15 | sing | 1.81Å | 1.82Å | |
| C03 | C02 | doub | 1.40Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.41Å | 1.38Å | Aromatic |
| C07 | N11 | doub | 1.32Å | 1.34Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.53Å | |
| C02 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C01 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| O16 | C14 | doub | 1.21Å | 1.19Å | |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.35Å | 1.45Å | |
| N13 | C20 | sing | 1.38Å | 1.46Å | |
| N21 | C20 | doub | 1.31Å | 1.32Å | Aromatic |
| N21 | C18 | sing | 1.36Å | 1.35Å | Aromatic |
| C20 | N19 | sing | 1.36Å | 1.32Å | Aromatic |
| C18 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| N19 | C17 | sing | 1.38Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N08 | H1 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N19 | H2 | sing | 0.97Å | 1.00Å | |
| O27 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C26 | O27 | 120.0° | 120.0° |
| O28 | C26 | C03 | 119.4° | 120.0° |
| O27 | C26 | C03 | 120.6° | 120.0° |
| C26 | O27 | H4 | 109.5° | 117.0° |
| C26 | C03 | C02 | 119.8° | 120.2° |
| C26 | C03 | C04 | 120.2° | 120.2° |
| N08 | N09 | C10 | 107.4° | 106.9° |
| N09 | N08 | C07 | 109.2° | 106.4° |
| N09 | N08 | H1 | 125.4° | 126.8° |
| N09 | C10 | S12 | 127.1° | 125.5° |
| N09 | C10 | N11 | 108.7° | 109.1° |
| N08 | C07 | N11 | 107.6° | 107.9° |
| N08 | C07 | C04 | 127.5° | 126.1° |
| C07 | N08 | H1 | 125.3° | 126.8° |
| S12 | C10 | N11 | 124.2° | 125.5° |
| C10 | S12 | C15 | 106.2° | 103.0° |
| C10 | N11 | C07 | 107.1° | 109.7° |
| S12 | C15 | C14 | 111.0° | 109.5° |
| S12 | C15 | H151 | 109.1° | 109.5° |
| S12 | C15 | H152 | 109.1° | 109.5° |
| C02 | C03 | C04 | 120.0° | 119.6° |
| C03 | C02 | C01 | 120.0° | 120.0° |
| C03 | C02 | H021 | 120.0° | 120.0° |
| C03 | C04 | C07 | 120.0° | 120.2° |
| C03 | C04 | C05 | 120.1° | 119.6° |
| N11 | C07 | C04 | 124.9° | 126.0° |
| C07 | C04 | C05 | 119.9° | 120.2° |
| C02 | C01 | C06 | 120.2° | 120.5° |
| C02 | C01 | H011 | 119.9° | 119.8° |
| C01 | C02 | H021 | 120.0° | 120.1° |
| C04 | C05 | C06 | 119.9° | 120.0° |
| C04 | C05 | H051 | 120.0° | 120.0° |
| C15 | C14 | O16 | 120.3° | 120.0° |
| C15 | C14 | N13 | 119.4° | 120.0° |
| C14 | C15 | H151 | 109.1° | 109.4° |
| C14 | C15 | H152 | 109.1° | 109.4° |
| C01 | C06 | C05 | 119.9° | 120.4° |
| C06 | C01 | H011 | 119.9° | 119.8° |
| C01 | C06 | H061 | 120.1° | 119.8° |
| O16 | C14 | N13 | 120.3° | 120.0° |
| C06 | C05 | H051 | 120.1° | 120.0° |
| C05 | C06 | H061 | 120.0° | 119.8° |
| C14 | N13 | C20 | 120.8° | 120.0° |
| C14 | N13 | H131 | 119.6° | 120.0° |
| N13 | C20 | N21 | 125.6° | 125.0° |
| N13 | C20 | N19 | 125.1° | 125.0° |
| C20 | N13 | H131 | 119.6° | 120.0° |
| C20 | N21 | C18 | 108.9° | 109.6° |
| N21 | C20 | N19 | 109.3° | 109.9° |
| N21 | C18 | C22 | 133.8° | 133.4° |
| N21 | C18 | C17 | 106.2° | 107.1° |
| C20 | N19 | C17 | 108.2° | 107.3° |
| C20 | N19 | H2 | 125.9° | 126.4° |
| C22 | C18 | C17 | 120.0° | 119.5° |
| C18 | C22 | C23 | 120.0° | 119.8° |
| C18 | C22 | H221 | 120.0° | 120.1° |
| C18 | C17 | N19 | 107.5° | 106.1° |
| C18 | C17 | C25 | 120.0° | 120.0° |
| N19 | C17 | C25 | 132.5° | 133.9° |
| C17 | N19 | H2 | 125.9° | 126.3° |
| C22 | C23 | C24 | 120.0° | 120.5° |
| C23 | C22 | H221 | 120.0° | 120.1° |
| C22 | C23 | H231 | 120.0° | 119.8° |
| C17 | C25 | C24 | 120.0° | 119.8° |
| C17 | C25 | H251 | 120.0° | 120.1° |
| C23 | C24 | C25 | 120.0° | 120.4° |
| C23 | C24 | H241 | 120.0° | 119.8° |
| C24 | C23 | H231 | 120.0° | 119.7° |
| C25 | C24 | H241 | 120.0° | 119.8° |
| C24 | C25 | H251 | 120.0° | 120.0° |
| H151 | C15 | H152 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C26 | O27 | C03 | 180.0° | 179.9° |
| O28 | C26 | C03 | C02 | 113.9° | 123.2° |
| O28 | C26 | C03 | C04 | 65.3° | 56.8° |
| O28 | C26 | O27 | H4 | 0.0° | 0.1° |
| O27 | C26 | C03 | C02 | 66.1° | 56.9° |
| O27 | C26 | C03 | C04 | 114.7° | 123.1° |
| C26 | C03 | C02 | C04 | 179.2° | 180.0° |
| C26 | C03 | C04 | C07 | 0.8° | 0.0° |
| C26 | C03 | C02 | C01 | 179.7° | 180.0° |
| C26 | C03 | C04 | C05 | 179.9° | 180.0° |
| C26 | C03 | C02 | H021 | 0.3° | 0.1° |
| C03 | C26 | O27 | H4 | 180.0° | 180.0° |
| N09 | N08 | C07 | H1 | 180.0° | 180.0° |
| N08 | N09 | C10 | S12 | 179.6° | 180.0° |
| N08 | N09 | C10 | N11 | 0.5° | 0.3° |
| N09 | N08 | C07 | N11 | 0.2° | 0.0° |
| N09 | N08 | C07 | C04 | 179.9° | 179.8° |
| C10 | N09 | N08 | C07 | 0.2° | 0.2° |
| N09 | C10 | S12 | N11 | 179.0° | 179.6° |
| N09 | C10 | S12 | C15 | 108.8° | 0.3° |
| N09 | C10 | N11 | C07 | 0.6° | 0.3° |
| C10 | N09 | N08 | H1 | 179.8° | 179.9° |
| N08 | C07 | N11 | C10 | 0.5° | 0.2° |
| N08 | C07 | C04 | C03 | 50.0° | 173.7° |
| N08 | C07 | N11 | C04 | 179.7° | 179.8° |
| N08 | C07 | C04 | C05 | 130.9° | 6.3° |
| S12 | C10 | N11 | C07 | 179.8° | 180.0° |
| C10 | S12 | C15 | C14 | 107.2° | 180.0° |
| C10 | S12 | C15 | H151 | 13.1° | 60.0° |
| C10 | S12 | C15 | H152 | 132.6° | 60.0° |
| N11 | C10 | S12 | C15 | 70.2° | 179.9° |
| C10 | N11 | C07 | C04 | 179.8° | 180.0° |
| S12 | C15 | C14 | H151 | 120.2° | 120.0° |
| S12 | C15 | C14 | H152 | 120.2° | 120.0° |
| S12 | C15 | C14 | O16 | 35.4° | 0.0° |
| S12 | C15 | C14 | N13 | 144.7° | 180.0° |
| S12 | C15 | H151 | H152 | 119.3° | 120.1° |
| C02 | C03 | C04 | C07 | 179.9° | 180.0° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.0° |
| C03 | C02 | C01 | H011 | 180.0° | 179.7° |
| C03 | C04 | C07 | N11 | 130.3° | 6.1° |
| C03 | C04 | C07 | C05 | 179.1° | 180.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.0° |
| C03 | C04 | C05 | C06 | 0.8° | 0.1° |
| C04 | C03 | C02 | H021 | 179.5° | 179.9° |
| C03 | C04 | C05 | H051 | 179.2° | 179.9° |
| N11 | C07 | C04 | C05 | 48.8° | 173.9° |
| N11 | C07 | N08 | H1 | 179.8° | 179.9° |
| C07 | C04 | C05 | C06 | 179.8° | 179.9° |
| C07 | C04 | C05 | H051 | 0.2° | 0.1° |
| C04 | C07 | N08 | H1 | 0.1° | 0.1° |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C02 | C01 | C06 | H061 | 179.9° | 179.7° |
| C04 | C05 | C06 | C01 | 0.3° | 0.1° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | H061 | 179.7° | 179.8° |
| C15 | C14 | O16 | N13 | 179.9° | 180.0° |
| C15 | C14 | N13 | C20 | 179.2° | 180.0° |
| C14 | C15 | H151 | H152 | 119.3° | 119.9° |
| C15 | C14 | N13 | H131 | 0.8° | 0.0° |
| C01 | C06 | C05 | H061 | 180.0° | 179.7° |
| C06 | C01 | C02 | H021 | 180.0° | 180.0° |
| C01 | C06 | C05 | H051 | 179.7° | 179.9° |
| O16 | C14 | N13 | C20 | 0.7° | 0.0° |
| O16 | C14 | C15 | H151 | 155.7° | 120.0° |
| O16 | C14 | C15 | H152 | 84.8° | 120.0° |
| O16 | C14 | N13 | H131 | 179.3° | 180.0° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C14 | N13 | C20 | H131 | 180.0° | 180.0° |
| C14 | N13 | C20 | N21 | 6.1° | 179.7° |
| C14 | N13 | C20 | N19 | 174.8° | 0.0° |
| N13 | C14 | C15 | H151 | 24.4° | 60.0° |
| N13 | C14 | C15 | H152 | 95.1° | 60.0° |
| N13 | C20 | N21 | N19 | 179.2° | 179.7° |
| N13 | C20 | N21 | C18 | 179.3° | 179.9° |
| N13 | C20 | N19 | C17 | 179.4° | 180.0° |
| N13 | C20 | N19 | H2 | 0.6° | 0.2° |
| C20 | N21 | C18 | C22 | 179.8° | 179.9° |
| C20 | N21 | C18 | C17 | 0.0° | 0.1° |
| N21 | C20 | N19 | C17 | 0.2° | 0.3° |
| N21 | C20 | N13 | H131 | 173.9° | 0.2° |
| N21 | C20 | N19 | H2 | 179.8° | 180.0° |
| C18 | N21 | C20 | N19 | 0.2° | 0.1° |
| N21 | C18 | C22 | C17 | 179.8° | 180.0° |
| N21 | C18 | C17 | N19 | 0.1° | 0.2° |
| N21 | C18 | C22 | C23 | 179.8° | 180.0° |
| N21 | C18 | C17 | C25 | 180.0° | 180.0° |
| N21 | C18 | C22 | H221 | 0.2° | 0.1° |
| C20 | N19 | C17 | C18 | 0.2° | 0.3° |
| C20 | N19 | C17 | H2 | 180.0° | 179.8° |
| C20 | N19 | C17 | C25 | 179.9° | 180.0° |
| N19 | C20 | N13 | H131 | 5.1° | 179.9° |
| C22 | C18 | C17 | N19 | 179.9° | 179.7° |
| C18 | C22 | C23 | H221 | 180.0° | 179.9° |
| C22 | C18 | C17 | C25 | 0.2° | 0.0° |
| C18 | C22 | C23 | C24 | 0.0° | 0.0° |
| C18 | C22 | C23 | H231 | 180.0° | 179.9° |
| C18 | C17 | N19 | C25 | 179.9° | 179.7° |
| C17 | C18 | C22 | C23 | 0.1° | 0.0° |
| C18 | C17 | C25 | C24 | 0.2° | 0.0° |
| C17 | C18 | C22 | H221 | 179.9° | 180.0° |
| C18 | C17 | C25 | H251 | 179.7° | 180.0° |
| C18 | C17 | N19 | H2 | 179.8° | 180.0° |
| N19 | C17 | C25 | C24 | 179.9° | 179.7° |
| N19 | C17 | C25 | H251 | 0.1° | 0.3° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H241 | 179.9° | 179.9° |
| C17 | C25 | C24 | C23 | 0.2° | 0.0° |
| C17 | C25 | C24 | H251 | 180.0° | 180.0° |
| C17 | C25 | C24 | H241 | 179.8° | 180.0° |
| C25 | C17 | N19 | H2 | 0.0° | 0.3° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C24 | C23 | C22 | H221 | 180.0° | 180.0° |
| C23 | C24 | C25 | H251 | 179.8° | 180.0° |
| C25 | C24 | C23 | H231 | 179.9° | 179.9° |
| H221 | C22 | C23 | H231 | 0.0° | 0.1° |
| H241 | C24 | C23 | H231 | 0.1° | 0.1° |
| H241 | C24 | C25 | H251 | 0.2° | 0.0° |
| H011 | C01 | C02 | H021 | 0.0° | 0.4° |
| H011 | C01 | C06 | H061 | 0.1° | 0.0° |
| H051 | C05 | C06 | H061 | 0.3° | 0.4° |
