RYI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.54Å | 1.60Å | |
| C04 | C03 | sing | 1.55Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| O21 | S02 | doub | 1.42Å | 1.43Å | |
| C05 | C20 | sing | 1.54Å | 1.57Å | |
| C05 | C19 | sing | 1.53Å | 1.58Å | |
| C03 | S02 | sing | 1.83Å | 1.80Å | |
| C20 | S02 | sing | 1.83Å | 1.78Å | |
| S02 | O01 | doub | 1.42Å | 1.43Å | |
| C08 | N09 | sing | 1.47Å | 1.51Å | |
| C19 | N09 | sing | 1.47Å | 1.49Å | |
| N09 | C10 | sing | 1.38Å | 1.43Å | |
| C10 | N18 | doub | 1.33Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.44Å | Aromatic |
| N18 | C17 | sing | 1.32Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.46Å | 1.48Å | Aromatic |
| C12 | C13 | doub | 1.34Å | 1.43Å | Aromatic |
| C11 | C15 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | N14 | sing | 1.37Å | 1.38Å | Aromatic |
| C17 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | N16 | sing | 1.33Å | 1.38Å | Aromatic |
| C15 | N14 | sing | 1.37Å | 1.36Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 111.1° | 109.2° |
| C06 | C07 | C08 | 112.9° | 109.3° |
| C07 | C06 | H062 | 109.0° | 109.5° |
| C07 | C06 | H061 | 109.1° | 109.5° |
| C06 | C07 | H072 | 108.6° | 109.5° |
| C06 | C07 | H071 | 108.6° | 109.5° |
| C06 | C05 | C04 | 112.1° | 109.6° |
| C06 | C05 | C20 | 110.0° | 109.5° |
| C06 | C05 | C19 | 108.5° | 109.9° |
| C05 | C06 | H062 | 109.1° | 109.5° |
| C05 | C06 | H061 | 109.0° | 109.5° |
| C05 | C04 | C03 | 106.1° | 106.7° |
| C04 | C05 | C20 | 106.3° | 108.9° |
| C04 | C05 | C19 | 111.8° | 109.6° |
| C05 | C04 | H042 | 110.3° | 110.0° |
| C05 | C04 | H041 | 110.3° | 110.0° |
| C04 | C03 | S02 | 106.7° | 102.6° |
| C04 | C03 | H032 | 110.2° | 110.7° |
| C04 | C03 | H031 | 110.1° | 111.0° |
| C03 | C04 | H042 | 110.3° | 110.0° |
| C03 | C04 | H041 | 110.3° | 110.0° |
| C07 | C08 | N09 | 110.8° | 109.5° |
| C08 | C07 | H072 | 108.6° | 109.5° |
| C08 | C07 | H071 | 108.6° | 109.5° |
| C07 | C08 | H082 | 109.2° | 109.4° |
| C07 | C08 | H081 | 109.2° | 109.5° |
| O21 | S02 | C03 | 111.0° | 109.4° |
| O21 | S02 | C20 | 111.2° | 109.4° |
| O21 | S02 | O01 | 116.5° | 120.0° |
| C20 | C05 | C19 | 108.1° | 109.5° |
| C05 | C20 | S02 | 107.2° | 105.1° |
| C05 | C20 | H202 | 110.0° | 110.3° |
| C05 | C20 | H201 | 110.0° | 110.4° |
| C05 | C19 | N09 | 110.2° | 109.6° |
| C05 | C19 | H191 | 109.3° | 109.5° |
| C05 | C19 | H192 | 109.3° | 109.5° |
| C03 | S02 | C20 | 97.7° | 97.0° |
| C03 | S02 | O01 | 111.1° | 109.3° |
| S02 | C03 | H032 | 110.1° | 110.8° |
| S02 | C03 | H031 | 110.2° | 110.8° |
| C20 | S02 | O01 | 107.8° | 109.4° |
| S02 | C20 | H202 | 110.1° | 110.3° |
| S02 | C20 | H201 | 110.0° | 110.3° |
| C08 | N09 | C19 | 110.2° | 111.2° |
| C08 | N09 | C10 | 122.7° | 111.0° |
| N09 | C08 | H082 | 109.1° | 109.4° |
| N09 | C08 | H081 | 109.2° | 109.5° |
| C19 | N09 | C10 | 120.9° | 111.0° |
| N09 | C19 | H191 | 109.3° | 109.4° |
| N09 | C19 | H192 | 109.3° | 109.4° |
| N09 | C10 | N18 | 116.1° | 120.8° |
| N09 | C10 | C11 | 125.5° | 120.8° |
| N18 | C10 | C11 | 118.4° | 118.3° |
| C10 | N18 | C17 | 119.9° | 121.0° |
| C10 | C11 | C12 | 136.6° | 135.1° |
| C10 | C11 | C15 | 118.1° | 118.6° |
| N18 | C17 | N16 | 125.0° | 122.7° |
| N18 | C17 | H171 | 117.5° | 118.7° |
| C11 | C12 | C13 | 106.8° | 106.8° |
| C12 | C11 | C15 | 105.3° | 106.2° |
| C11 | C12 | H121 | 126.6° | 126.6° |
| C12 | C13 | N14 | 107.2° | 109.8° |
| C12 | C13 | H131 | 126.4° | 125.1° |
| C13 | C12 | H121 | 126.6° | 126.6° |
| C11 | C15 | N16 | 121.8° | 118.6° |
| C11 | C15 | N14 | 109.5° | 107.2° |
| C13 | N14 | C15 | 111.1° | 110.0° |
| N14 | C13 | H131 | 126.4° | 125.1° |
| C13 | N14 | H141 | 124.5° | 125.0° |
| C17 | N16 | C15 | 116.8° | 120.7° |
| N16 | C17 | H171 | 117.5° | 118.6° |
| N16 | C15 | N14 | 128.7° | 134.3° |
| C15 | N14 | H141 | 124.4° | 125.0° |
| H202 | C20 | H201 | 109.5° | 110.3° |
| H191 | C19 | H192 | 109.4° | 109.4° |
| H032 | C03 | H031 | 109.5° | 110.7° |
| H042 | C04 | H041 | 109.5° | 110.0° |
| H062 | C06 | H061 | 109.5° | 109.6° |
| H072 | C07 | H071 | 109.4° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | H062 | 120.2° | 119.9° |
| C07 | C06 | C05 | H061 | 120.3° | 119.9° |
| C07 | C06 | C05 | C04 | 178.8° | 177.4° |
| C06 | C07 | C08 | H072 | 120.5° | 120.0° |
| C06 | C07 | C08 | H071 | 120.5° | 119.9° |
| C07 | C06 | C05 | C20 | 63.2° | 63.3° |
| C07 | C06 | C05 | C19 | 54.8° | 57.0° |
| C06 | C07 | C08 | N09 | 52.4° | 59.4° |
| C07 | C06 | H062 | H061 | 119.3° | 120.1° |
| C06 | C07 | H072 | H071 | 118.4° | 120.1° |
| C06 | C07 | C08 | H082 | 67.7° | 60.6° |
| C06 | C07 | C08 | H081 | 172.7° | 179.5° |
| C06 | C05 | C04 | C20 | 120.2° | 119.7° |
| C06 | C05 | C04 | C19 | 122.1° | 120.6° |
| C06 | C05 | C04 | C03 | 162.2° | 72.6° |
| C05 | C06 | C07 | C08 | 51.9° | 57.3° |
| C06 | C05 | C20 | C19 | 118.3° | 120.5° |
| C06 | C05 | C20 | S02 | 150.7° | 91.9° |
| C06 | C05 | C19 | N09 | 61.1° | 58.5° |
| C06 | C05 | C20 | H202 | 89.6° | 149.1° |
| C06 | C05 | C20 | H201 | 31.0° | 27.0° |
| C06 | C05 | C19 | H191 | 178.8° | 178.5° |
| C06 | C05 | C19 | H192 | 59.0° | 61.5° |
| C06 | C05 | C04 | H042 | 42.7° | 168.0° |
| C06 | C05 | C04 | H041 | 78.4° | 46.7° |
| C05 | C06 | H062 | H061 | 119.3° | 120.2° |
| C05 | C06 | C07 | H072 | 172.5° | 177.3° |
| C05 | C06 | C07 | H071 | 68.6° | 62.7° |
| C05 | C04 | C03 | H042 | 119.5° | 119.3° |
| C05 | C04 | C03 | H041 | 119.5° | 119.3° |
| C04 | C05 | C20 | C19 | 120.2° | 119.8° |
| C05 | C04 | C03 | S02 | 36.0° | 42.3° |
| C04 | C05 | C20 | S02 | 29.1° | 27.8° |
| C04 | C05 | C19 | N09 | 174.8° | 178.9° |
| C04 | C05 | C20 | H202 | 148.8° | 91.1° |
| C04 | C05 | C20 | H201 | 90.5° | 146.7° |
| C04 | C05 | C19 | H191 | 54.7° | 61.0° |
| C04 | C05 | C19 | H192 | 65.1° | 58.9° |
| C05 | C04 | C03 | H032 | 155.5° | 76.0° |
| C05 | C04 | C03 | H031 | 83.6° | 160.7° |
| C05 | C04 | H042 | H041 | 121.6° | 121.4° |
| C04 | C05 | C06 | H062 | 61.0° | 57.6° |
| C04 | C05 | C06 | H061 | 58.5° | 62.7° |
| C04 | C03 | S02 | O21 | 99.1° | 136.6° |
| C03 | C04 | C05 | C20 | 42.0° | 47.0° |
| C03 | C04 | C05 | C19 | 75.7° | 166.7° |
| C04 | C03 | S02 | H032 | 119.6° | 118.2° |
| C04 | C03 | S02 | H031 | 119.5° | 118.5° |
| C04 | C03 | S02 | C20 | 17.2° | 23.1° |
| C04 | C03 | S02 | O01 | 129.7° | 90.3° |
| C04 | C03 | H032 | H031 | 121.3° | 123.5° |
| C03 | C04 | H042 | H041 | 121.6° | 121.4° |
| C07 | C08 | N09 | H082 | 120.2° | 120.0° |
| C07 | C08 | N09 | H081 | 120.2° | 120.1° |
| C07 | C08 | N09 | C19 | 57.6° | 61.9° |
| C07 | C08 | N09 | C10 | 150.0° | 174.0° |
| C08 | C07 | C06 | H062 | 172.2° | 62.6° |
| C08 | C07 | C06 | H061 | 68.3° | 177.2° |
| C08 | C07 | H072 | H071 | 118.4° | 120.1° |
| C07 | C08 | H082 | H081 | 119.4° | 120.0° |
| O21 | S02 | C20 | C05 | 123.7° | 111.4° |
| O21 | S02 | C03 | C20 | 116.3° | 113.4° |
| O21 | S02 | C03 | O01 | 131.3° | 133.2° |
| O21 | S02 | C20 | O01 | 128.8° | 133.2° |
| O21 | S02 | C20 | H202 | 116.6° | 129.7° |
| O21 | S02 | C20 | H201 | 4.1° | 7.6° |
| O21 | S02 | C03 | H032 | 20.5° | 18.4° |
| O21 | S02 | C03 | H031 | 141.4° | 104.9° |
| C05 | C20 | S02 | C03 | 7.6° | 2.1° |
| C05 | C20 | S02 | H202 | 119.6° | 118.9° |
| C05 | C20 | S02 | H201 | 119.7° | 119.0° |
| C05 | C20 | S02 | O01 | 107.5° | 115.4° |
| C20 | C05 | C19 | N09 | 58.1° | 61.7° |
| C05 | C20 | H202 | H201 | 121.0° | 122.2° |
| C20 | C05 | C19 | H191 | 62.0° | 58.3° |
| C20 | C05 | C19 | H192 | 178.3° | 178.3° |
| C20 | C05 | C04 | H042 | 77.5° | 72.3° |
| C20 | C05 | C04 | H041 | 161.5° | 166.3° |
| C20 | C05 | C06 | H062 | 57.1° | 176.8° |
| C20 | C05 | C06 | H061 | 176.6° | 56.6° |
| C19 | C05 | C20 | S02 | 91.0° | 147.6° |
| C05 | C19 | N09 | C08 | 62.9° | 61.3° |
| C05 | C19 | N09 | H191 | 120.1° | 120.1° |
| C05 | C19 | N09 | H192 | 120.1° | 120.0° |
| C05 | C19 | N09 | C10 | 144.1° | 174.6° |
| C19 | C05 | C20 | H202 | 28.7° | 28.7° |
| C19 | C05 | C20 | H201 | 149.3° | 93.5° |
| C05 | C19 | H191 | H192 | 119.7° | 120.0° |
| C19 | C05 | C04 | H042 | 164.8° | 47.4° |
| C19 | C05 | C04 | H041 | 43.8° | 73.9° |
| C19 | C05 | C06 | H062 | 175.1° | 62.9° |
| C19 | C05 | C06 | H061 | 65.4° | 176.9° |
| C03 | S02 | C20 | O01 | 115.1° | 113.4° |
| C03 | S02 | C20 | H202 | 127.2° | 116.9° |
| C03 | S02 | C20 | H201 | 112.1° | 121.1° |
| S02 | C03 | H032 | H031 | 121.3° | 123.4° |
| S02 | C03 | C04 | H042 | 83.5° | 77.1° |
| S02 | C03 | C04 | H041 | 155.4° | 161.6° |
| S02 | C20 | H202 | H201 | 121.1° | 122.1° |
| C20 | S02 | C03 | H032 | 136.7° | 95.1° |
| C20 | S02 | C03 | H031 | 102.4° | 141.7° |
| O01 | S02 | C20 | H202 | 12.1° | 3.5° |
| O01 | S02 | C20 | H201 | 132.8° | 125.6° |
| O01 | S02 | C03 | H032 | 110.8° | 151.5° |
| O01 | S02 | C03 | H031 | 10.1° | 28.3° |
| C08 | N09 | C19 | C10 | 153.0° | 124.1° |
| C08 | N09 | C10 | N18 | 155.7° | 124.2° |
| C08 | N09 | C10 | C11 | 26.5° | 56.3° |
| C08 | N09 | C19 | H191 | 177.0° | 178.6° |
| C08 | N09 | C19 | H192 | 57.3° | 58.7° |
| N09 | C08 | C07 | H072 | 173.0° | 179.4° |
| N09 | C08 | C07 | H071 | 68.1° | 60.5° |
| N09 | C08 | H082 | H081 | 119.4° | 120.0° |
| C19 | N09 | C10 | N18 | 6.2° | 0.0° |
| C19 | N09 | C10 | C11 | 176.0° | 179.5° |
| N09 | C19 | H191 | H192 | 119.6° | 119.9° |
| C19 | N09 | C08 | H082 | 62.6° | 58.0° |
| C19 | N09 | C08 | H081 | 177.8° | 178.0° |
| N09 | C10 | N18 | C11 | 177.9° | 179.4° |
| N09 | C10 | N18 | C17 | 178.6° | 180.0° |
| N09 | C10 | C11 | C12 | 2.7° | 0.5° |
| N09 | C10 | C11 | C15 | 178.6° | 179.7° |
| C10 | N09 | C19 | H191 | 24.0° | 54.5° |
| C10 | N09 | C19 | H192 | 95.7° | 65.4° |
| C10 | N09 | C08 | H082 | 89.8° | 66.1° |
| C10 | N09 | C08 | H081 | 29.8° | 53.9° |
| N18 | C10 | C11 | C12 | 179.6° | 179.9° |
| N18 | C10 | C11 | C15 | 0.9° | 0.8° |
| C10 | N18 | C17 | N16 | 0.7° | 0.0° |
| C10 | N18 | C17 | H171 | 179.2° | 179.7° |
| C11 | C10 | N18 | C17 | 0.7° | 0.6° |
| C10 | C11 | C12 | C15 | 178.8° | 179.3° |
| C10 | C11 | C12 | C13 | 179.2° | 179.3° |
| C10 | C11 | C15 | N16 | 1.1° | 0.5° |
| C10 | C11 | C15 | N14 | 179.9° | 179.5° |
| C10 | C11 | C12 | H121 | 0.8° | 0.7° |
| N18 | C17 | N16 | H171 | 180.0° | 179.8° |
| N18 | C17 | N16 | C15 | 0.9° | 0.3° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | N14 | 0.2° | 0.0° |
| C12 | C11 | C15 | N16 | 179.8° | 180.0° |
| C12 | C11 | C15 | N14 | 0.8° | 0.0° |
| C11 | C12 | C13 | H131 | 179.8° | 180.0° |
| C13 | C12 | C11 | C15 | 0.3° | 0.0° |
| C12 | C13 | N14 | H131 | 180.0° | 180.0° |
| C12 | C13 | N14 | C15 | 0.7° | 0.0° |
| C12 | C13 | N14 | H141 | 179.3° | 179.9° |
| C11 | C15 | N14 | C13 | 1.0° | 0.0° |
| C11 | C15 | N16 | C17 | 1.1° | 0.0° |
| C11 | C15 | N16 | N14 | 178.8° | 180.0° |
| C15 | C11 | C12 | H121 | 179.6° | 180.0° |
| C11 | C15 | N14 | H141 | 179.1° | 179.9° |
| C13 | N14 | C15 | N16 | 179.9° | 180.0° |
| C13 | N14 | C15 | H141 | 180.0° | 179.9° |
| N14 | C13 | C12 | H121 | 179.8° | 180.0° |
| C17 | N16 | C15 | N14 | 179.9° | 180.0° |
| C15 | N16 | C17 | H171 | 179.1° | 180.0° |
| N16 | C15 | N14 | H141 | 0.1° | 0.1° |
| C15 | N14 | C13 | H131 | 179.3° | 180.0° |
| H131 | C13 | C12 | H121 | 0.2° | 0.0° |
| H131 | C13 | N14 | H141 | 0.7° | 0.1° |
| H032 | C03 | C04 | H042 | 36.0° | 164.7° |
| H032 | C03 | C04 | H041 | 85.0° | 43.3° |
| H031 | C03 | C04 | H042 | 156.9° | 41.3° |
| H031 | C03 | C04 | H041 | 35.9° | 80.0° |
| H062 | C06 | C07 | H072 | 67.3° | 57.4° |
| H062 | C06 | C07 | H071 | 51.7° | 177.4° |
| H061 | C06 | C07 | H072 | 52.2° | 62.8° |
| H061 | C06 | C07 | H071 | 171.2° | 57.2° |
| H072 | C07 | C08 | H082 | 52.8° | 59.4° |
| H072 | C07 | C08 | H081 | 66.8° | 60.5° |
| H071 | C07 | C08 | H082 | 171.7° | 179.5° |
| H071 | C07 | C08 | H081 | 52.2° | 59.6° |
