RYQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C02 | N03 | doub | 1.29Å | 1.38Å | Aromatic |
| C02 | S18 | sing | 1.71Å | 1.67Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.43Å | Aromatic |
| S18 | C17 | sing | 1.76Å | 1.63Å | Aromatic |
| C04 | C17 | doub | 1.34Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.50Å | |
| C05 | N06 | sing | 1.46Å | 1.44Å | |
| C07 | N06 | sing | 1.36Å | 1.36Å | Aromatic |
| C07 | N08 | doub | 1.30Å | 1.33Å | Aromatic |
| N06 | C16 | sing | 1.37Å | 1.34Å | Aromatic |
| N08 | C09 | sing | 1.36Å | 1.35Å | Aromatic |
| C16 | C09 | doub | 1.40Å | 1.37Å | Aromatic |
| C16 | N15 | sing | 1.33Å | 1.36Å | Aromatic |
| C09 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| N15 | C13 | doub | 1.32Å | 1.30Å | Aromatic |
| C10 | N11 | sing | 1.38Å | 1.43Å | |
| C10 | N12 | doub | 1.33Å | 1.31Å | Aromatic |
| C13 | N12 | sing | 1.33Å | 1.31Å | Aromatic |
| C13 | N14 | sing | 1.39Å | 1.42Å | |
| C17 | H171 | 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 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N11 | H112 | sing | 0.97Å | 1.00Å | |
| N14 | H142 | 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) |
| C01 | C02 | N03 | 118.9° | 124.9° |
| C01 | C02 | S18 | 127.3° | 124.9° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| N03 | C02 | S18 | 113.8° | 110.2° |
| C02 | N03 | C04 | 109.2° | 117.1° |
| C02 | S18 | C17 | 93.2° | 90.3° |
| N03 | C04 | C17 | 111.3° | 114.5° |
| N03 | C04 | C05 | 120.6° | 122.8° |
| S18 | C17 | C04 | 112.5° | 107.9° |
| S18 | C17 | H171 | 123.7° | 126.1° |
| C17 | C04 | C05 | 128.1° | 122.8° |
| C04 | C17 | H171 | 123.7° | 126.0° |
| C04 | C05 | N06 | 114.2° | 109.5° |
| C04 | C05 | H052 | 108.3° | 109.4° |
| C04 | C05 | H051 | 108.3° | 109.5° |
| C05 | N06 | C07 | 127.5° | 126.2° |
| C05 | N06 | C16 | 124.3° | 126.3° |
| N06 | C05 | H052 | 108.3° | 109.5° |
| N06 | C05 | H051 | 108.3° | 109.5° |
| N06 | C07 | N08 | 109.5° | 109.9° |
| C07 | N06 | C16 | 108.1° | 107.4° |
| N06 | C07 | H071 | 125.3° | 125.1° |
| C07 | N08 | C09 | 106.8° | 109.5° |
| N08 | C07 | H071 | 125.2° | 125.0° |
| N06 | C16 | C09 | 106.8° | 106.0° |
| N06 | C16 | N15 | 131.2° | 134.8° |
| N08 | C09 | C16 | 108.9° | 107.1° |
| N08 | C09 | C10 | 134.0° | 134.6° |
| C09 | C16 | N15 | 122.0° | 119.2° |
| C16 | C09 | C10 | 117.1° | 118.3° |
| C16 | N15 | C13 | 115.9° | 120.6° |
| C09 | C10 | N11 | 122.5° | 120.7° |
| C09 | C10 | N12 | 118.8° | 118.5° |
| N15 | C13 | N12 | 125.3° | 122.3° |
| N15 | C13 | N14 | 117.2° | 118.8° |
| N11 | C10 | N12 | 118.7° | 120.7° |
| C10 | N11 | H111 | 109.5° | 120.0° |
| C10 | N11 | H112 | 109.5° | 120.0° |
| C10 | N12 | C13 | 120.9° | 121.1° |
| N12 | C13 | N14 | 117.5° | 118.9° |
| C13 | N14 | H142 | 109.5° | 120.0° |
| C13 | N14 | H141 | 109.5° | 120.1° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H111 | N11 | H112 | 109.4° | 120.0° |
| H142 | N14 | H141 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | S18 | 177.9° | 179.8° |
| C01 | C02 | N03 | C04 | 177.8° | 180.0° |
| C01 | C02 | S18 | C17 | 176.9° | 179.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| N03 | C02 | S18 | C17 | 0.7° | 0.3° |
| C02 | N03 | C04 | C17 | 0.9° | 0.0° |
| C02 | N03 | C04 | C05 | 178.9° | 180.0° |
| N03 | C02 | C01 | H011 | 0.0° | 90.0° |
| N03 | C02 | C01 | H012 | 120.0° | 150.0° |
| N03 | C02 | C01 | H013 | 120.0° | 30.0° |
| S18 | C02 | N03 | C04 | 0.0° | 0.2° |
| C02 | S18 | C17 | C04 | 1.2° | 0.3° |
| C02 | S18 | C17 | H171 | 178.8° | 179.9° |
| S18 | C02 | C01 | H011 | 177.6° | 89.7° |
| S18 | C02 | C01 | H012 | 62.4° | 30.3° |
| S18 | C02 | C01 | H013 | 57.6° | 150.3° |
| N03 | C04 | C17 | S18 | 1.4° | 0.3° |
| N03 | C04 | C17 | C05 | 177.8° | 180.0° |
| N03 | C04 | C05 | N06 | 65.2° | 55.0° |
| N03 | C04 | C17 | H171 | 178.6° | 180.0° |
| N03 | C04 | C05 | H052 | 55.5° | 65.0° |
| N03 | C04 | C05 | H051 | 174.2° | 175.1° |
| S18 | C17 | C04 | H171 | 180.0° | 179.7° |
| S18 | C17 | C04 | C05 | 179.2° | 179.7° |
| C17 | C04 | C05 | N06 | 117.2° | 125.0° |
| C17 | C04 | C05 | H052 | 122.1° | 115.0° |
| C17 | C04 | C05 | H051 | 3.5° | 4.9° |
| C04 | C05 | N06 | H052 | 120.7° | 120.0° |
| C04 | C05 | N06 | H051 | 120.7° | 120.0° |
| C04 | C05 | N06 | C07 | 77.1° | 95.0° |
| C04 | C05 | N06 | C16 | 106.5° | 85.0° |
| C05 | C04 | C17 | H171 | 0.7° | 0.0° |
| C04 | C05 | H052 | H051 | 117.8° | 120.0° |
| C05 | N06 | C07 | C16 | 176.9° | 180.0° |
| C05 | N06 | C07 | N08 | 177.0° | 179.7° |
| C05 | N06 | C16 | C09 | 177.1° | 180.0° |
| C05 | N06 | C16 | N15 | 3.1° | 0.4° |
| N06 | C05 | H052 | H051 | 117.9° | 120.1° |
| C05 | N06 | C07 | H071 | 3.0° | 0.0° |
| N06 | C07 | N08 | H071 | 180.0° | 179.8° |
| N06 | C07 | N08 | C09 | 0.1° | 0.4° |
| C07 | N06 | C16 | C09 | 0.1° | 0.0° |
| C07 | N06 | C16 | N15 | 179.8° | 179.7° |
| C07 | N06 | C05 | H052 | 43.6° | 145.0° |
| C07 | N06 | C05 | H051 | 162.3° | 25.0° |
| N08 | C07 | N06 | C16 | 0.1° | 0.2° |
| C07 | N08 | C09 | C16 | 0.1° | 0.4° |
| C07 | N08 | C09 | C10 | 179.3° | 179.6° |
| N06 | C16 | C09 | N08 | 0.0° | 0.3° |
| N06 | C16 | C09 | N15 | 179.8° | 179.7° |
| N06 | C16 | C09 | C10 | 179.5° | 179.7° |
| N06 | C16 | N15 | C13 | 179.3° | 179.6° |
| C16 | N06 | C05 | H052 | 132.8° | 35.0° |
| C16 | N06 | C05 | H051 | 14.2° | 155.0° |
| C16 | N06 | C07 | H071 | 179.9° | 180.0° |
| N08 | C09 | C16 | C10 | 179.5° | 180.0° |
| N08 | C09 | C16 | N15 | 179.8° | 180.0° |
| N08 | C09 | C10 | N11 | 1.5° | 0.1° |
| N08 | C09 | C10 | N12 | 179.1° | 180.0° |
| C09 | N08 | C07 | H071 | 179.9° | 179.8° |
| C09 | C16 | N15 | C13 | 0.9° | 0.0° |
| C16 | C09 | C10 | N11 | 179.2° | 179.9° |
| C16 | C09 | C10 | N12 | 0.3° | 0.0° |
| N15 | C16 | C09 | C10 | 0.7° | 0.0° |
| C16 | N15 | C13 | N12 | 0.2° | 0.0° |
| C16 | N15 | C13 | N14 | 178.4° | 180.0° |
| C09 | C10 | N11 | N12 | 179.4° | 179.9° |
| C09 | C10 | N12 | C13 | 1.0° | 0.1° |
| C09 | C10 | N11 | H111 | 179.4° | 180.0° |
| C09 | C10 | N11 | H112 | 59.4° | 0.1° |
| N15 | C13 | N12 | C10 | 0.8° | 0.1° |
| N15 | C13 | N12 | N14 | 178.6° | 179.9° |
| N15 | C13 | N14 | H142 | 0.0° | 179.9° |
| N15 | C13 | N14 | H141 | 120.0° | 0.0° |
| N11 | C10 | N12 | C13 | 178.5° | 180.0° |
| C10 | N11 | H111 | H112 | 120.0° | 179.9° |
| C10 | N12 | C13 | N14 | 179.4° | 180.0° |
| N12 | C10 | N11 | H111 | 0.0° | 0.1° |
| N12 | C10 | N11 | H112 | 120.0° | 180.0° |
| N12 | C13 | N14 | H142 | 178.8° | 0.0° |
| N12 | C13 | N14 | H141 | 61.3° | 179.9° |
| C13 | N14 | H142 | H141 | 120.0° | 179.9° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
