RP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N22 | C20 | sing | 1.35Å | 1.45Å | |
| O21 | C20 | doub | 1.22Å | 1.19Å | |
| C20 | C04 | sing | 1.47Å | 1.54Å | |
| C04 | O03 | sing | 1.35Å | 1.34Å | Aromatic |
| C04 | C05 | doub | 1.37Å | 1.41Å | Aromatic |
| BR15 | C14 | sing | 1.89Å | 1.91Å | |
| N18 | C17 | trip | 1.14Å | 1.13Å | |
| O03 | C02 | sing | 1.34Å | 1.33Å | Aromatic |
| C17 | C16 | sing | 1.43Å | 1.52Å | |
| C05 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C16 | doub | 1.40Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| C02 | C06 | doub | 1.35Å | 1.37Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C06 | S07 | sing | 1.76Å | 1.82Å | |
| C19 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.36Å | Aromatic |
| C11 | N10 | sing | 1.40Å | 1.42Å | |
| S07 | N10 | sing | 1.66Å | 1.67Å | |
| S07 | O09 | doub | 1.42Å | 1.47Å | |
| S07 | O08 | doub | 1.42Å | 1.46Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N22 | H222 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N22 | C20 | O21 | 116.8° | 120.0° |
| N22 | C20 | C04 | 127.6° | 120.0° |
| C20 | N22 | H222 | 120.0° | 120.0° |
| C20 | N22 | H221 | 120.0° | 120.0° |
| O21 | C20 | C04 | 115.6° | 120.0° |
| C20 | C04 | O03 | 117.0° | 126.0° |
| C20 | C04 | C05 | 136.3° | 126.0° |
| O03 | C04 | C05 | 106.7° | 108.0° |
| C04 | O03 | C02 | 111.6° | 109.4° |
| C04 | C05 | C06 | 106.3° | 106.7° |
| C04 | C05 | H051 | 126.9° | 126.6° |
| BR15 | C14 | C16 | 123.0° | 120.0° |
| BR15 | C14 | C13 | 115.2° | 120.0° |
| N18 | C17 | C16 | 179.5° | 180.0° |
| O03 | C02 | C06 | 108.4° | 108.8° |
| O03 | C02 | C01 | 126.2° | 125.6° |
| C17 | C16 | C14 | 121.6° | 120.1° |
| C17 | C16 | C19 | 120.0° | 120.1° |
| C05 | C06 | C02 | 107.0° | 107.1° |
| C05 | C06 | S07 | 134.4° | 126.4° |
| C06 | C05 | H051 | 126.9° | 126.7° |
| C16 | C14 | C13 | 121.8° | 120.0° |
| C14 | C16 | C19 | 118.3° | 119.7° |
| C14 | C13 | C12 | 120.5° | 120.2° |
| C14 | C13 | H131 | 119.7° | 119.9° |
| C16 | C19 | C11 | 119.1° | 119.8° |
| C16 | C19 | H191 | 120.5° | 120.1° |
| C06 | C02 | C01 | 125.4° | 125.6° |
| C02 | C06 | S07 | 118.7° | 126.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C13 | C12 | C11 | 118.6° | 120.2° |
| C12 | C13 | H131 | 119.7° | 119.9° |
| C13 | C12 | H121 | 120.7° | 119.9° |
| C06 | S07 | N10 | 111.6° | 107.2° |
| C06 | S07 | O09 | 108.8° | 106.4° |
| C06 | S07 | O08 | 113.7° | 106.4° |
| C19 | C11 | C12 | 121.7° | 120.0° |
| C19 | C11 | N10 | 122.2° | 120.0° |
| C11 | C19 | H191 | 120.4° | 120.1° |
| C12 | C11 | N10 | 116.2° | 120.0° |
| C11 | C12 | H121 | 120.7° | 119.9° |
| C11 | N10 | S07 | 117.0° | 120.0° |
| C11 | N10 | H101 | 107.6° | 120.0° |
| N10 | S07 | O09 | 109.2° | 106.4° |
| N10 | S07 | O08 | 110.5° | 106.4° |
| S07 | N10 | H101 | 107.6° | 120.0° |
| O09 | S07 | O08 | 102.5° | 123.1° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H222 | N22 | H221 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N22 | C20 | O21 | C04 | 180.0° | 180.0° |
| N22 | C20 | C04 | O03 | 179.0° | 0.1° |
| N22 | C20 | C04 | C05 | 3.1° | 179.7° |
| C20 | N22 | H222 | H221 | 180.0° | 179.9° |
| O21 | C20 | C04 | O03 | 1.0° | 180.0° |
| O21 | C20 | C04 | C05 | 176.9° | 0.3° |
| O21 | C20 | N22 | H222 | 0.0° | 179.9° |
| O21 | C20 | N22 | H221 | 180.0° | 0.0° |
| C20 | C04 | O03 | C05 | 178.5° | 179.7° |
| C20 | C04 | O03 | C02 | 179.7° | 180.0° |
| C20 | C04 | C05 | C06 | 179.4° | 179.9° |
| C20 | C04 | C05 | H051 | 0.7° | 0.1° |
| C04 | C20 | N22 | H222 | 180.0° | 0.1° |
| C04 | C20 | N22 | H221 | 0.0° | 180.0° |
| O03 | C04 | C05 | C06 | 1.3° | 0.4° |
| C04 | O03 | C02 | C06 | 0.7° | 0.0° |
| C04 | O03 | C02 | C01 | 179.5° | 179.7° |
| O03 | C04 | C05 | H051 | 178.7° | 179.8° |
| C05 | C04 | O03 | C02 | 1.2° | 0.2° |
| C04 | C05 | C06 | H051 | 180.0° | 179.8° |
| C04 | C05 | C06 | C02 | 0.9° | 0.4° |
| C04 | C05 | C06 | S07 | 179.6° | 179.6° |
| BR15 | C14 | C16 | C17 | 0.5° | 0.3° |
| BR15 | C14 | C16 | C13 | 179.5° | 180.0° |
| BR15 | C14 | C16 | C19 | 179.7° | 180.0° |
| BR15 | C14 | C13 | C12 | 179.7° | 180.0° |
| BR15 | C14 | C13 | H131 | 0.3° | 0.0° |
| N18 | C17 | C16 | C14 | 177.8° | 40.8° |
| N18 | C17 | C16 | C19 | 2.4° | 138.9° |
| O03 | C02 | C06 | C05 | 0.2° | 0.3° |
| O03 | C02 | C06 | C01 | 179.8° | 179.6° |
| O03 | C02 | C06 | S07 | 179.1° | 179.7° |
| O03 | C02 | C01 | H012 | 0.0° | 90.3° |
| O03 | C02 | C01 | H013 | 120.0° | 29.6° |
| O03 | C02 | C01 | H011 | 120.0° | 149.7° |
| C17 | C16 | C14 | C19 | 179.8° | 179.6° |
| C17 | C16 | C14 | C13 | 179.9° | 179.7° |
| C17 | C16 | C19 | C11 | 179.7° | 179.8° |
| C17 | C16 | C19 | H191 | 0.3° | 0.1° |
| C05 | C06 | C02 | S07 | 178.9° | 180.0° |
| C05 | C06 | C02 | C01 | 179.6° | 179.9° |
| C05 | C06 | S07 | N10 | 25.8° | 115.0° |
| C05 | C06 | S07 | O09 | 146.3° | 1.4° |
| C05 | C06 | S07 | O08 | 100.1° | 131.4° |
| C16 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C16 | C19 | C11 | 0.4° | 0.1° |
| C16 | C14 | C13 | H131 | 179.9° | 180.0° |
| C14 | C16 | C19 | H191 | 179.6° | 179.8° |
| C13 | C14 | C16 | C19 | 0.1° | 0.0° |
| C14 | C13 | C12 | H131 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C14 | C13 | C12 | H121 | 179.6° | 180.0° |
| C16 | C19 | C11 | H191 | 180.0° | 179.9° |
| C16 | C19 | C11 | C12 | 0.8° | 0.2° |
| C16 | C19 | C11 | N10 | 179.6° | 179.9° |
| C02 | C06 | S07 | N10 | 152.8° | 65.0° |
| C02 | C06 | S07 | O09 | 32.2° | 178.5° |
| C02 | C06 | S07 | O08 | 81.4° | 48.6° |
| C06 | C02 | C01 | H012 | 179.8° | 90.1° |
| C06 | C02 | C01 | H013 | 60.2° | 150.0° |
| C06 | C02 | C01 | H011 | 59.7° | 29.9° |
| C02 | C06 | C05 | H051 | 179.1° | 179.7° |
| C01 | C02 | C06 | S07 | 0.7° | 0.1° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.1° |
| C13 | C12 | C11 | C19 | 0.7° | 0.1° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | N10 | 179.7° | 180.0° |
| C06 | S07 | N10 | C11 | 54.0° | 65.0° |
| C06 | S07 | N10 | O09 | 120.3° | 113.5° |
| C06 | S07 | N10 | O08 | 127.6° | 113.5° |
| C06 | S07 | O09 | O08 | 120.8° | 122.9° |
| S07 | C06 | C05 | H051 | 0.4° | 0.2° |
| C06 | S07 | N10 | H101 | 67.1° | 115.0° |
| C19 | C11 | C12 | N10 | 178.9° | 179.9° |
| C19 | C11 | N10 | S07 | 17.5° | 134.9° |
| C19 | C11 | C12 | H121 | 179.2° | 179.9° |
| C19 | C11 | N10 | H101 | 138.6° | 45.1° |
| C12 | C11 | N10 | S07 | 161.4° | 45.0° |
| C11 | C12 | C13 | H131 | 179.6° | 179.9° |
| C12 | C11 | C19 | H191 | 179.2° | 179.7° |
| C12 | C11 | N10 | H101 | 40.3° | 135.0° |
| C11 | N10 | S07 | H101 | 121.1° | 180.0° |
| C11 | N10 | S07 | O09 | 66.3° | 178.5° |
| C11 | N10 | S07 | O08 | 178.4° | 48.5° |
| N10 | C11 | C12 | H121 | 0.3° | 0.0° |
| N10 | C11 | C19 | H191 | 0.4° | 0.2° |
| N10 | S07 | O09 | O08 | 117.3° | 123.0° |
| O09 | S07 | N10 | H101 | 172.6° | 1.5° |
| O08 | S07 | N10 | H101 | 60.5° | 131.5° |
| H131 | C13 | C12 | H121 | 0.4° | 0.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
