RK0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| N22 | C21 | trip | 1.14Å | 1.13Å | |
| C21 | C20 | sing | 1.43Å | 1.52Å | |
| C18 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.43Å | |
| O12 | S11 | doub | 1.42Å | 1.47Å | |
| N14 | S11 | sing | 1.66Å | 1.69Å | |
| S11 | O13 | doub | 1.42Å | 1.46Å | |
| S11 | C09 | sing | 1.76Å | 1.80Å | |
| S10 | C09 | sing | 1.76Å | 1.61Å | Aromatic |
| S10 | C05 | sing | 1.71Å | 1.62Å | Aromatic |
| C09 | C07 | doub | 1.33Å | 1.41Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.18Å | |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| C07 | N06 | sing | 1.32Å | 1.45Å | Aromatic |
| C02 | N04 | sing | 1.35Å | 1.44Å | |
| C02 | C01 | sing | 1.51Å | 1.52Å | |
| C05 | N04 | sing | 1.39Å | 1.43Å | |
| C05 | N06 | doub | 1.30Å | 1.37Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C20 | 119.5° | 120.0° |
| C19 | C18 | C17 | 120.2° | 120.0° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.4° |
| N22 | C21 | C20 | 179.8° | 180.0° |
| C21 | C20 | C18 | 120.3° | 120.1° |
| C21 | C20 | C23 | 119.4° | 120.1° |
| C20 | C18 | C17 | 120.3° | 120.0° |
| C18 | C20 | C23 | 120.3° | 119.7° |
| C18 | C17 | C16 | 119.4° | 120.2° |
| C18 | C17 | H171 | 120.3° | 119.9° |
| C20 | C23 | C15 | 118.9° | 119.8° |
| C20 | C23 | H231 | 120.6° | 120.1° |
| C17 | C16 | C15 | 120.3° | 120.3° |
| C17 | C16 | H161 | 119.8° | 119.9° |
| C16 | C17 | H171 | 120.3° | 119.9° |
| C23 | C15 | C16 | 120.8° | 120.0° |
| C23 | C15 | N14 | 122.0° | 120.0° |
| C15 | C23 | H231 | 120.5° | 120.1° |
| C16 | C15 | N14 | 117.2° | 120.0° |
| C15 | C16 | H161 | 119.8° | 119.8° |
| C15 | N14 | S11 | 120.1° | 120.0° |
| C15 | N14 | H141 | 106.7° | 120.0° |
| O12 | S11 | N14 | 113.9° | 106.4° |
| O12 | S11 | O13 | 106.0° | 123.1° |
| O12 | S11 | C09 | 106.9° | 106.4° |
| N14 | S11 | O13 | 107.7° | 106.4° |
| N14 | S11 | C09 | 113.1° | 107.3° |
| S11 | N14 | H141 | 106.8° | 120.0° |
| O13 | S11 | C09 | 108.9° | 106.4° |
| S11 | C09 | S10 | 125.8° | 126.0° |
| S11 | C09 | C07 | 123.5° | 125.9° |
| C09 | S10 | C05 | 96.8° | 90.3° |
| S10 | C09 | C07 | 110.7° | 108.1° |
| S10 | C05 | N04 | 127.7° | 124.9° |
| S10 | C05 | N06 | 111.7° | 110.1° |
| C09 | C07 | C08 | 126.6° | 122.8° |
| C09 | C07 | N06 | 110.3° | 114.5° |
| O03 | C02 | N04 | 120.4° | 120.0° |
| O03 | C02 | C01 | 120.4° | 120.0° |
| C08 | C07 | N06 | 123.1° | 122.7° |
| C07 | C08 | H081 | 109.5° | 109.5° |
| C07 | C08 | H083 | 109.5° | 109.4° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| C07 | N06 | C05 | 110.4° | 116.9° |
| N04 | C02 | C01 | 119.2° | 120.0° |
| C02 | N04 | C05 | 120.9° | 120.0° |
| C02 | N04 | H041 | 119.6° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| N04 | C05 | N06 | 120.6° | 124.9° |
| C05 | N04 | H041 | 119.6° | 120.0° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.4° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C20 | C21 | 0.1° | 0.3° |
| C19 | C18 | C20 | C17 | 179.7° | 179.7° |
| C19 | C18 | C20 | C23 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 179.9° | 179.7° |
| C19 | C18 | C17 | H171 | 0.0° | 0.2° |
| C18 | C19 | H191 | H192 | 120.0° | 120.1° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| N22 | C21 | C20 | C18 | 31.8° | 120.5° |
| N22 | C21 | C20 | C23 | 148.1° | 59.5° |
| C21 | C20 | C18 | C23 | 179.9° | 180.0° |
| C21 | C20 | C18 | C17 | 179.6° | 180.0° |
| C21 | C20 | C23 | C15 | 179.5° | 180.0° |
| C21 | C20 | C23 | H231 | 0.5° | 0.0° |
| C20 | C18 | C17 | C16 | 0.4° | 0.0° |
| C18 | C20 | C23 | C15 | 0.3° | 0.0° |
| C20 | C18 | C17 | H171 | 179.7° | 180.0° |
| C20 | C18 | C19 | H191 | 90.2° | 90.0° |
| C20 | C18 | C19 | H192 | 149.8° | 150.0° |
| C20 | C18 | C19 | H193 | 29.9° | 30.0° |
| C18 | C20 | C23 | H231 | 179.7° | 180.0° |
| C17 | C18 | C20 | C23 | 0.3° | 0.0° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.5° | 0.0° |
| C18 | C17 | C16 | H161 | 179.5° | 180.0° |
| C17 | C18 | C19 | H191 | 90.1° | 89.8° |
| C17 | C18 | C19 | H192 | 29.9° | 30.3° |
| C17 | C18 | C19 | H193 | 149.8° | 150.3° |
| C20 | C23 | C15 | H231 | 180.0° | 180.0° |
| C20 | C23 | C15 | C16 | 0.5° | 0.0° |
| C20 | C23 | C15 | N14 | 179.2° | 180.0° |
| C17 | C16 | C15 | C23 | 0.6° | 0.0° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | N14 | 179.3° | 180.0° |
| C23 | C15 | C16 | N14 | 178.7° | 180.0° |
| C23 | C15 | N14 | S11 | 0.9° | 135.0° |
| C23 | C15 | C16 | H161 | 179.4° | 180.0° |
| C23 | C15 | N14 | H141 | 122.4° | 44.9° |
| C16 | C15 | N14 | S11 | 179.6° | 45.0° |
| C15 | C16 | C17 | H171 | 179.5° | 180.0° |
| C16 | C15 | C23 | H231 | 179.5° | 180.0° |
| C16 | C15 | N14 | H141 | 58.9° | 135.0° |
| C15 | N14 | S11 | O12 | 42.2° | 48.6° |
| C15 | N14 | S11 | H141 | 121.5° | 179.9° |
| C15 | N14 | S11 | O13 | 159.4° | 178.5° |
| C15 | N14 | S11 | C09 | 80.2° | 64.9° |
| N14 | C15 | C16 | H161 | 0.7° | 0.0° |
| N14 | C15 | C23 | H231 | 0.8° | 0.0° |
| O12 | S11 | N14 | O13 | 117.2° | 132.9° |
| O12 | S11 | N14 | C09 | 122.4° | 113.5° |
| O12 | S11 | O13 | C09 | 114.7° | 122.9° |
| O12 | S11 | C09 | S10 | 9.5° | 23.8° |
| O12 | S11 | C09 | C07 | 168.5° | 156.5° |
| O12 | S11 | N14 | H141 | 79.3° | 131.5° |
| N14 | S11 | O13 | C09 | 123.0° | 114.2° |
| N14 | S11 | C09 | S10 | 116.7° | 89.8° |
| N14 | S11 | C09 | C07 | 65.3° | 90.0° |
| O13 | S11 | C09 | S10 | 123.6° | 156.7° |
| O13 | S11 | C09 | C07 | 54.3° | 23.6° |
| O13 | S11 | N14 | H141 | 37.9° | 1.4° |
| S11 | C09 | S10 | C07 | 178.2° | 179.8° |
| S11 | C09 | S10 | C05 | 178.3° | 180.0° |
| S11 | C09 | C07 | C08 | 1.9° | 0.0° |
| S11 | C09 | C07 | N06 | 178.0° | 179.9° |
| C09 | S11 | N14 | H141 | 158.3° | 115.0° |
| S10 | C09 | C07 | C08 | 179.9° | 179.8° |
| S10 | C09 | C07 | N06 | 0.3° | 0.1° |
| C09 | S10 | C05 | N04 | 177.3° | 180.0° |
| C09 | S10 | C05 | N06 | 0.5° | 0.3° |
| C05 | S10 | C09 | C07 | 0.1° | 0.2° |
| S10 | C05 | N06 | C07 | 0.7° | 0.3° |
| S10 | C05 | N04 | C02 | 0.5° | 179.7° |
| S10 | C05 | N04 | N06 | 176.6° | 179.7° |
| S10 | C05 | N04 | H041 | 179.4° | 0.2° |
| C09 | C07 | C08 | N06 | 179.8° | 179.9° |
| C09 | C07 | N06 | C05 | 0.6° | 0.1° |
| C09 | C07 | C08 | H081 | 179.8° | 89.9° |
| C09 | C07 | C08 | H083 | 59.8° | 30.1° |
| C09 | C07 | C08 | H082 | 60.2° | 150.1° |
| O03 | C02 | N04 | C01 | 179.1° | 180.0° |
| O03 | C02 | N04 | C05 | 3.4° | 0.0° |
| O03 | C02 | C01 | H012 | 0.0° | 180.0° |
| O03 | C02 | C01 | H013 | 120.0° | 60.0° |
| O03 | C02 | C01 | H011 | 120.0° | 60.0° |
| O03 | C02 | N04 | H041 | 176.6° | 179.9° |
| C08 | C07 | N06 | C05 | 179.6° | 180.0° |
| C07 | C08 | H081 | H083 | 120.0° | 120.0° |
| C07 | C08 | H081 | H082 | 120.0° | 120.0° |
| C07 | C08 | H083 | H082 | 120.0° | 120.0° |
| C07 | N06 | C05 | N04 | 177.8° | 180.0° |
| N06 | C07 | C08 | H081 | 0.0° | 90.0° |
| N06 | C07 | C08 | H083 | 120.0° | 150.0° |
| N06 | C07 | C08 | H082 | 120.0° | 30.0° |
| C02 | N04 | C05 | H041 | 180.0° | 179.9° |
| C02 | N04 | C05 | N06 | 177.1° | 0.0° |
| N04 | C02 | C01 | H012 | 179.2° | 0.0° |
| N04 | C02 | C01 | H013 | 60.9° | 120.0° |
| N04 | C02 | C01 | H011 | 59.1° | 120.0° |
| C01 | C02 | N04 | C05 | 177.5° | 180.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | N04 | H041 | 2.5° | 0.1° |
| N06 | C05 | N04 | H041 | 2.9° | 179.9° |
| H161 | C16 | C17 | H171 | 0.5° | 0.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H081 | C08 | H083 | H082 | 120.0° | 120.0° |
