RYC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | O18 | sing | 1.36Å | 1.40Å | |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C10 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.51Å | 1.56Å | |
| C10 | C11 | sing | 1.54Å | 1.50Å | |
| C10 | N09 | sing | 1.46Å | 1.46Å | |
| C11 | C15 | sing | 1.54Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| O23 | C08 | doub | 1.22Å | 1.19Å | |
| C08 | N09 | sing | 1.35Å | 1.45Å | |
| C08 | C07 | sing | 1.48Å | 1.52Å | |
| O14 | C12 | doub | 1.21Å | 1.26Å | |
| C12 | O13 | sing | 1.34Å | 1.26Å | |
| C07 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | N03 | sing | 1.39Å | 1.44Å | |
| O26 | C02 | doub | 1.22Å | 1.18Å | |
| N03 | C02 | sing | 1.35Å | 1.44Å | |
| C02 | N01 | sing | 1.35Å | 1.44Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| O13 | H1 | sing | 0.97Å | 0.95Å | |
| O18 | H181 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C20 | C19 | C17 | 121.2° | 119.9° |
| C20 | C19 | H191 | 119.4° | 120.1° |
| C19 | C20 | H201 | 119.9° | 120.0° |
| C20 | C21 | C22 | 119.3° | 120.4° |
| C21 | C20 | H201 | 119.9° | 120.0° |
| C20 | C21 | H211 | 120.4° | 119.8° |
| C19 | C17 | O18 | 118.7° | 119.9° |
| C19 | C17 | C16 | 119.3° | 120.1° |
| C17 | C19 | H191 | 119.5° | 120.1° |
| C21 | C22 | C16 | 120.7° | 119.9° |
| C21 | C22 | C10 | 130.3° | 130.4° |
| C22 | C21 | H211 | 120.3° | 119.8° |
| O18 | C17 | C16 | 121.9° | 120.0° |
| C17 | O18 | H181 | 109.5° | 114.1° |
| C17 | C16 | C22 | 119.4° | 119.8° |
| C17 | C16 | C15 | 131.6° | 130.4° |
| C16 | C22 | C10 | 109.0° | 109.7° |
| C22 | C16 | C15 | 109.1° | 109.8° |
| C22 | C10 | C11 | 103.6° | 105.2° |
| C22 | C10 | N09 | 112.5° | 110.3° |
| C22 | C10 | H101 | 107.9° | 110.4° |
| C16 | C15 | C11 | 101.9° | 105.1° |
| C16 | C15 | H151 | 111.3° | 110.3° |
| C16 | C15 | H152 | 111.4° | 110.4° |
| C11 | C10 | N09 | 115.2° | 110.3° |
| C10 | C11 | C15 | 105.5° | 102.4° |
| C10 | C11 | C12 | 110.4° | 110.8° |
| C11 | C10 | H101 | 108.4° | 110.3° |
| C10 | C11 | H111 | 109.4° | 110.9° |
| C10 | N09 | C08 | 119.5° | 120.0° |
| N09 | C10 | H101 | 108.9° | 110.3° |
| C10 | N09 | H091 | 120.3° | 120.0° |
| C15 | C11 | C12 | 113.2° | 110.8° |
| C15 | C11 | H111 | 109.1° | 110.8° |
| C11 | C15 | H151 | 111.3° | 110.3° |
| C11 | C15 | H152 | 111.3° | 110.3° |
| C11 | C12 | O14 | 119.6° | 120.0° |
| C11 | C12 | O13 | 119.8° | 120.0° |
| C12 | C11 | H111 | 109.1° | 110.9° |
| O23 | C08 | N09 | 121.3° | 119.9° |
| O23 | C08 | C07 | 120.7° | 120.0° |
| N09 | C08 | C07 | 117.9° | 120.0° |
| C08 | N09 | H091 | 120.2° | 120.0° |
| C08 | C07 | C24 | 119.1° | 120.0° |
| C08 | C07 | C06 | 120.2° | 120.1° |
| O14 | C12 | O13 | 120.6° | 120.0° |
| C12 | O13 | H1 | 109.5° | 117.0° |
| C24 | C07 | C06 | 120.6° | 119.9° |
| C07 | C24 | C25 | 120.1° | 119.9° |
| C07 | C24 | H241 | 119.9° | 120.1° |
| C07 | C06 | C05 | 119.4° | 119.9° |
| C07 | C06 | H061 | 120.3° | 120.1° |
| C24 | C25 | C04 | 119.0° | 120.1° |
| C25 | C24 | H241 | 119.9° | 120.0° |
| C24 | C25 | H251 | 120.5° | 120.0° |
| C06 | C05 | C04 | 120.1° | 120.1° |
| C06 | C05 | H051 | 119.9° | 120.0° |
| C05 | C06 | H061 | 120.3° | 120.0° |
| C25 | C04 | C05 | 120.8° | 120.1° |
| C25 | C04 | N03 | 123.5° | 119.9° |
| C04 | C25 | H251 | 120.5° | 119.9° |
| C05 | C04 | N03 | 115.6° | 120.0° |
| C04 | C05 | H051 | 120.0° | 119.9° |
| C04 | N03 | C02 | 124.2° | 119.9° |
| C04 | N03 | H031 | 117.9° | 120.0° |
| O26 | C02 | N03 | 124.2° | 120.0° |
| O26 | C02 | N01 | 121.6° | 120.0° |
| N03 | C02 | N01 | 114.2° | 120.0° |
| C02 | N03 | H031 | 117.9° | 120.0° |
| C02 | N01 | H011 | 120.0° | 119.9° |
| C02 | N01 | H012 | 120.0° | 120.1° |
| H151 | C15 | H152 | 109.5° | 110.3° |
| H011 | N01 | H012 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C20 | C19 | C17 | H191 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C20 | C19 | C17 | O18 | 179.7° | 180.0° |
| C20 | C19 | C17 | C16 | 0.0° | 0.1° |
| C19 | C20 | C21 | H211 | 179.9° | 180.0° |
| C21 | C20 | C19 | C17 | 0.0° | 0.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C16 | 0.2° | 0.1° |
| C20 | C21 | C22 | C10 | 179.4° | 180.0° |
| C21 | C20 | C19 | H191 | 180.0° | 180.0° |
| C19 | C17 | O18 | C16 | 179.7° | 179.9° |
| C19 | C17 | C16 | C22 | 0.0° | 0.0° |
| C19 | C17 | C16 | C15 | 179.7° | 179.9° |
| C17 | C19 | C20 | H201 | 180.0° | 179.9° |
| C19 | C17 | O18 | H181 | 180.0° | 89.9° |
| C21 | C22 | C16 | C17 | 0.1° | 0.0° |
| C21 | C22 | C16 | C10 | 179.4° | 180.0° |
| C21 | C22 | C16 | C15 | 179.6° | 180.0° |
| C21 | C22 | C10 | C11 | 159.5° | 162.8° |
| C21 | C22 | C10 | N09 | 75.5° | 43.9° |
| C21 | C22 | C10 | H101 | 44.6° | 78.3° |
| C22 | C21 | C20 | H201 | 179.9° | 180.0° |
| O18 | C17 | C16 | C22 | 179.7° | 179.9° |
| O18 | C17 | C16 | C15 | 0.1° | 0.0° |
| O18 | C17 | C19 | H191 | 0.3° | 0.1° |
| C17 | C16 | C22 | C15 | 179.8° | 179.9° |
| C17 | C16 | C22 | C10 | 179.5° | 180.0° |
| C17 | C16 | C15 | C11 | 160.0° | 162.9° |
| C17 | C16 | C15 | H151 | 41.2° | 43.9° |
| C17 | C16 | C15 | H152 | 81.3° | 78.2° |
| C16 | C17 | C19 | H191 | 180.0° | 180.0° |
| C16 | C17 | O18 | H181 | 0.3° | 90.0° |
| C16 | C22 | C10 | C11 | 19.8° | 17.2° |
| C16 | C22 | C10 | N09 | 105.2° | 136.1° |
| C22 | C16 | C15 | C11 | 19.7° | 17.2° |
| C16 | C22 | C10 | H101 | 134.7° | 101.8° |
| C22 | C16 | C15 | H151 | 138.5° | 136.1° |
| C22 | C16 | C15 | H152 | 99.0° | 101.7° |
| C16 | C22 | C21 | H211 | 179.8° | 179.9° |
| C10 | C22 | C16 | C15 | 0.2° | 0.0° |
| C22 | C10 | C11 | N09 | 123.3° | 118.9° |
| C22 | C10 | C11 | H101 | 114.5° | 119.0° |
| C22 | C10 | N09 | H101 | 119.6° | 122.2° |
| C22 | C10 | C11 | C15 | 32.1° | 26.3° |
| C22 | C10 | C11 | C12 | 154.7° | 91.9° |
| C22 | C10 | N09 | C08 | 66.4° | 92.8° |
| C22 | C10 | C11 | H111 | 85.2° | 144.6° |
| C10 | C22 | C21 | H211 | 0.6° | 0.0° |
| C22 | C10 | N09 | H091 | 113.6° | 87.3° |
| C16 | C15 | C11 | C10 | 31.7° | 26.3° |
| C16 | C15 | C11 | H151 | 118.8° | 118.9° |
| C16 | C15 | C11 | H152 | 118.8° | 119.0° |
| C16 | C15 | C11 | C12 | 152.5° | 91.9° |
| C16 | C15 | C11 | H111 | 85.7° | 144.6° |
| C16 | C15 | H151 | H152 | 123.6° | 122.3° |
| C11 | C10 | N09 | H101 | 122.0° | 122.0° |
| C10 | C11 | C15 | C12 | 120.8° | 118.2° |
| C10 | C11 | C15 | H111 | 117.5° | 118.3° |
| C10 | C11 | C12 | H111 | 120.3° | 123.6° |
| C11 | C10 | N09 | C08 | 175.2° | 151.4° |
| C10 | C11 | C12 | O14 | 70.7° | 84.9° |
| C10 | C11 | C12 | O13 | 109.3° | 95.1° |
| C10 | C11 | C15 | H151 | 150.5° | 145.3° |
| C10 | C11 | C15 | H152 | 87.0° | 92.7° |
| C11 | C10 | N09 | H091 | 4.8° | 28.5° |
| N09 | C10 | C11 | C15 | 91.2° | 145.2° |
| N09 | C10 | C11 | C12 | 31.4° | 27.1° |
| C10 | N09 | C08 | O23 | 0.0° | 0.0° |
| C10 | N09 | C08 | H091 | 180.0° | 179.9° |
| C10 | N09 | C08 | C07 | 176.9° | 180.0° |
| N09 | C10 | C11 | H111 | 151.5° | 96.5° |
| C15 | C11 | C12 | H111 | 121.7° | 123.5° |
| C15 | C11 | C12 | O14 | 171.3° | 28.1° |
| C15 | C11 | C12 | O13 | 8.6° | 151.9° |
| C15 | C11 | C10 | H101 | 146.6° | 92.7° |
| C11 | C15 | H151 | H152 | 123.5° | 122.0° |
| C11 | C12 | O14 | O13 | 180.0° | 180.0° |
| C12 | C11 | C10 | H101 | 90.8° | 149.1° |
| C12 | C11 | C15 | H151 | 88.7° | 27.1° |
| C12 | C11 | C15 | H152 | 33.8° | 149.1° |
| C11 | C12 | O13 | H1 | 179.9° | 180.0° |
| O23 | C08 | N09 | C07 | 176.9° | 180.0° |
| O23 | C08 | C07 | C24 | 11.1° | 0.1° |
| O23 | C08 | C07 | C06 | 171.9° | 179.7° |
| O23 | C08 | N09 | H091 | 180.0° | 179.9° |
| N09 | C08 | C07 | C24 | 165.8° | 179.9° |
| N09 | C08 | C07 | C06 | 11.2° | 0.3° |
| C08 | N09 | C10 | H101 | 53.2° | 29.4° |
| C08 | C07 | C24 | C06 | 176.9° | 179.7° |
| C08 | C07 | C24 | C25 | 178.3° | 180.0° |
| C08 | C07 | C06 | C05 | 178.4° | 179.7° |
| C08 | C07 | C06 | H061 | 1.6° | 0.2° |
| C08 | C07 | C24 | H241 | 1.7° | 0.3° |
| C07 | C08 | N09 | H091 | 3.1° | 0.1° |
| O14 | C12 | C11 | H111 | 49.6° | 151.6° |
| O14 | C12 | O13 | H1 | 0.0° | 0.1° |
| O13 | C12 | C11 | H111 | 130.3° | 28.4° |
| C07 | C24 | C25 | H241 | 180.0° | 179.7° |
| C24 | C07 | C06 | C05 | 1.5° | 0.1° |
| C07 | C24 | C25 | C04 | 0.0° | 0.6° |
| C24 | C07 | C06 | H061 | 178.5° | 179.9° |
| C07 | C24 | C25 | H251 | 180.0° | 179.9° |
| C06 | C07 | C24 | C25 | 1.4° | 0.3° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.3° | 0.0° |
| C07 | C06 | C05 | H051 | 179.7° | 180.0° |
| C06 | C07 | C24 | H241 | 178.6° | 180.0° |
| C24 | C25 | C04 | H251 | 180.0° | 179.5° |
| C24 | C25 | C04 | C05 | 1.2° | 0.5° |
| C24 | C25 | C04 | N03 | 178.6° | 179.8° |
| C06 | C05 | C04 | C25 | 1.1° | 0.2° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | N03 | 178.7° | 180.0° |
| C25 | C04 | C05 | N03 | 177.6° | 179.7° |
| C25 | C04 | N03 | C02 | 0.3° | 146.3° |
| C25 | C04 | C05 | H051 | 178.9° | 179.8° |
| C04 | C25 | C24 | H241 | 180.0° | 179.7° |
| C25 | C04 | N03 | H031 | 179.7° | 33.7° |
| C05 | C04 | N03 | C02 | 177.3° | 33.4° |
| C04 | C05 | C06 | H061 | 179.7° | 180.0° |
| C05 | C04 | C25 | H251 | 178.8° | 180.0° |
| C05 | C04 | N03 | H031 | 2.8° | 146.6° |
| C04 | N03 | C02 | O26 | 2.8° | 5.0° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | N01 | 178.4° | 174.7° |
| N03 | C04 | C05 | H051 | 1.3° | 0.0° |
| N03 | C04 | C25 | H251 | 1.4° | 0.3° |
| O26 | C02 | N03 | N01 | 178.8° | 179.7° |
| O26 | C02 | N01 | H011 | 0.0° | 179.7° |
| O26 | C02 | N01 | H012 | 180.0° | 0.3° |
| O26 | C02 | N03 | H031 | 177.2° | 175.0° |
| N03 | C02 | N01 | H011 | 178.9° | 0.0° |
| N03 | C02 | N01 | H012 | 1.1° | 180.0° |
| C02 | N01 | H011 | H012 | 180.0° | 180.0° |
| N01 | C02 | N03 | H031 | 1.6° | 5.3° |
| H051 | C05 | C06 | H061 | 0.3° | 0.0° |
| H101 | C10 | C11 | H111 | 29.3° | 25.5° |
| H101 | C10 | N09 | H091 | 126.8° | 150.5° |
| H111 | C11 | C15 | H151 | 33.0° | 96.4° |
| H111 | C11 | C15 | H152 | 155.5° | 25.6° |
| H191 | C19 | C20 | H201 | 0.1° | 0.0° |
| H201 | C20 | C21 | H211 | 0.2° | 0.0° |
| H241 | C24 | C25 | H251 | 0.0° | 0.3° |
