RMU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | C20 | doub | 1.22Å | 1.19Å | |
| N22 | C20 | sing | 1.35Å | 1.45Å | |
| C20 | C04 | sing | 1.47Å | 1.53Å | |
| C04 | O03 | sing | 1.35Å | 1.34Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.40Å | Aromatic |
| O03 | C02 | sing | 1.34Å | 1.34Å | Aromatic |
| CL15 | C14 | sing | 1.74Å | 1.79Å | |
| N18 | C17 | trip | 1.14Å | 1.13Å | |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.43Å | 1.53Å | |
| C14 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | C06 | doub | 1.35Å | 1.37Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C16 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| N13 | C12 | doub | 1.32Å | 1.32Å | Aromatic |
| C06 | S07 | sing | 1.76Å | 1.81Å | |
| C19 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N10 | sing | 1.40Å | 1.44Å | |
| N10 | S07 | sing | 1.66Å | 1.69Å | |
| S07 | O08 | doub | 1.42Å | 1.46Å | |
| S07 | O09 | doub | 1.42Å | 1.46Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N22 | H222 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | C20 | N22 | 119.2° | 120.0° |
| O21 | C20 | C04 | 119.2° | 120.0° |
| N22 | C20 | C04 | 121.6° | 120.0° |
| C20 | N22 | H221 | 120.0° | 120.0° |
| C20 | N22 | H222 | 120.0° | 120.0° |
| C20 | C04 | O03 | 122.9° | 126.0° |
| C20 | C04 | C05 | 129.5° | 126.0° |
| O03 | C04 | C05 | 107.7° | 108.0° |
| C04 | O03 | C02 | 110.7° | 109.4° |
| C04 | C05 | C06 | 106.1° | 106.7° |
| C04 | C05 | H051 | 126.9° | 126.7° |
| O03 | C02 | C06 | 107.8° | 108.7° |
| O03 | C02 | C01 | 127.2° | 125.7° |
| CL15 | C14 | C16 | 119.4° | 119.7° |
| CL15 | C14 | N13 | 119.1° | 119.6° |
| N18 | C17 | C16 | 178.8° | 180.0° |
| C05 | C06 | C02 | 107.8° | 107.1° |
| C05 | C06 | S07 | 129.9° | 126.5° |
| C06 | C05 | H051 | 127.0° | 126.6° |
| C17 | C16 | C14 | 122.1° | 120.5° |
| C17 | C16 | C19 | 119.6° | 120.5° |
| C16 | C14 | N13 | 121.5° | 120.7° |
| C14 | C16 | C19 | 118.3° | 119.0° |
| C14 | N13 | C12 | 122.0° | 122.0° |
| C06 | C02 | C01 | 125.0° | 125.6° |
| C02 | C06 | S07 | 122.3° | 126.4° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C16 | C19 | C11 | 118.3° | 118.2° |
| C16 | C19 | H191 | 120.9° | 120.9° |
| N13 | C12 | C11 | 118.9° | 120.9° |
| N13 | C12 | H121 | 120.6° | 119.5° |
| C06 | S07 | N10 | 109.1° | 107.3° |
| C06 | S07 | O08 | 112.9° | 106.4° |
| C06 | S07 | O09 | 109.7° | 106.4° |
| C19 | C11 | C12 | 121.1° | 119.2° |
| C19 | C11 | N10 | 117.9° | 120.5° |
| C11 | C19 | H191 | 120.9° | 120.9° |
| C12 | C11 | N10 | 121.0° | 120.3° |
| C11 | C12 | H121 | 120.5° | 119.6° |
| C11 | N10 | S07 | 116.0° | 120.0° |
| C11 | N10 | H101 | 107.8° | 119.9° |
| N10 | S07 | O08 | 112.7° | 106.4° |
| N10 | S07 | O09 | 110.8° | 106.4° |
| S07 | N10 | H101 | 107.8° | 120.0° |
| O08 | S07 | O09 | 101.4° | 123.1° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H221 | N22 | H222 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | C20 | N22 | C04 | 178.7° | 180.0° |
| O21 | C20 | C04 | O03 | 22.4° | 180.0° |
| O21 | C20 | C04 | C05 | 157.8° | 0.3° |
| O21 | C20 | N22 | H221 | 0.0° | 180.0° |
| O21 | C20 | N22 | H222 | 180.0° | 0.0° |
| N22 | C20 | C04 | O03 | 156.3° | 0.0° |
| N22 | C20 | C04 | C05 | 23.4° | 179.7° |
| C20 | N22 | H221 | H222 | 180.0° | 180.0° |
| C20 | C04 | O03 | C05 | 179.8° | 179.7° |
| C20 | C04 | O03 | C02 | 179.6° | 180.0° |
| C20 | C04 | C05 | C06 | 179.9° | 179.8° |
| C20 | C04 | C05 | H051 | 0.1° | 0.0° |
| C04 | C20 | N22 | H221 | 178.7° | 0.0° |
| C04 | C20 | N22 | H222 | 1.3° | 180.0° |
| O03 | C04 | C05 | C06 | 0.2° | 0.4° |
| C04 | O03 | C02 | C06 | 0.5° | 0.0° |
| C04 | O03 | C02 | C01 | 179.4° | 179.7° |
| O03 | C04 | C05 | H051 | 179.8° | 179.7° |
| C05 | C04 | O03 | C02 | 0.2° | 0.3° |
| C04 | C05 | C06 | H051 | 180.0° | 179.8° |
| C04 | C05 | C06 | C02 | 0.5° | 0.4° |
| C04 | C05 | C06 | S07 | 179.3° | 179.6° |
| O03 | C02 | C06 | C05 | 0.6° | 0.3° |
| O03 | C02 | C06 | C01 | 179.0° | 179.7° |
| O03 | C02 | C06 | S07 | 179.5° | 179.8° |
| O03 | C02 | C01 | H011 | 0.0° | 90.2° |
| O03 | C02 | C01 | H012 | 120.0° | 29.7° |
| O03 | C02 | C01 | H013 | 120.0° | 149.7° |
| CL15 | C14 | C16 | C17 | 0.2° | 0.3° |
| CL15 | C14 | C16 | N13 | 179.7° | 179.9° |
| CL15 | C14 | C16 | C19 | 179.8° | 180.0° |
| CL15 | C14 | N13 | C12 | 179.8° | 180.0° |
| N18 | C17 | C16 | C14 | 173.8° | 141.3° |
| N18 | C17 | C16 | C19 | 6.1° | 38.5° |
| C05 | C06 | C02 | S07 | 178.9° | 180.0° |
| C05 | C06 | C02 | C01 | 179.5° | 180.0° |
| C05 | C06 | S07 | N10 | 18.0° | 115.0° |
| C05 | C06 | S07 | O08 | 144.2° | 131.5° |
| C05 | C06 | S07 | O09 | 103.5° | 1.5° |
| C17 | C16 | C14 | C19 | 180.0° | 179.7° |
| C17 | C16 | C14 | N13 | 180.0° | 179.8° |
| C17 | C16 | C19 | C11 | 179.8° | 180.0° |
| C17 | C16 | C19 | H191 | 0.2° | 0.0° |
| C16 | C14 | N13 | C12 | 0.0° | 0.1° |
| C14 | C16 | C19 | C11 | 0.3° | 0.3° |
| C14 | C16 | C19 | H191 | 179.7° | 179.7° |
| N13 | C14 | C16 | C19 | 0.1° | 0.0° |
| C14 | N13 | C12 | C11 | 0.2° | 0.4° |
| C14 | N13 | C12 | H121 | 179.8° | 179.8° |
| C02 | C06 | S07 | N10 | 163.4° | 65.0° |
| C02 | C06 | S07 | O08 | 37.2° | 48.5° |
| C02 | C06 | S07 | O09 | 75.1° | 178.5° |
| C06 | C02 | C01 | H011 | 178.7° | 90.1° |
| C06 | C02 | C01 | H012 | 61.2° | 150.0° |
| C06 | C02 | C01 | H013 | 58.7° | 30.0° |
| C02 | C06 | C05 | H051 | 179.6° | 179.7° |
| C01 | C02 | C06 | S07 | 1.5° | 0.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C16 | C19 | C11 | H191 | 180.0° | 180.0° |
| C16 | C19 | C11 | C12 | 0.4° | 0.5° |
| C16 | C19 | C11 | N10 | 179.9° | 179.5° |
| N13 | C12 | C11 | C19 | 0.4° | 0.6° |
| N13 | C12 | C11 | H121 | 180.0° | 179.4° |
| N13 | C12 | C11 | N10 | 179.9° | 179.4° |
| C06 | S07 | N10 | C11 | 64.3° | 65.0° |
| C06 | S07 | N10 | O08 | 126.3° | 113.6° |
| C06 | S07 | N10 | O09 | 120.9° | 113.6° |
| C06 | S07 | O08 | O09 | 117.3° | 123.0° |
| S07 | C06 | C05 | H051 | 0.8° | 0.3° |
| C06 | S07 | N10 | H101 | 56.6° | 115.0° |
| C19 | C11 | C12 | N10 | 179.6° | 180.0° |
| C19 | C11 | N10 | S07 | 158.5° | 135.0° |
| C19 | C11 | C12 | H121 | 179.6° | 180.0° |
| C19 | C11 | N10 | H101 | 37.5° | 45.0° |
| C12 | C11 | N10 | S07 | 21.2° | 45.0° |
| C12 | C11 | C19 | H191 | 179.6° | 179.4° |
| C12 | C11 | N10 | H101 | 142.1° | 135.0° |
| C11 | N10 | S07 | H101 | 121.0° | 179.9° |
| C11 | N10 | S07 | O08 | 62.0° | 48.6° |
| C11 | N10 | S07 | O09 | 174.8° | 178.5° |
| N10 | C11 | C12 | H121 | 0.0° | 0.0° |
| N10 | C11 | C19 | H191 | 0.1° | 0.6° |
| N10 | S07 | O08 | O09 | 118.5° | 122.9° |
| O08 | S07 | N10 | H101 | 177.1° | 131.5° |
| O09 | S07 | N10 | H101 | 64.2° | 1.4° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
