RY6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O18 | C17 | sing | 1.36Å | 1.40Å | |
C19 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
C17 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
C16 | C15 | sing | 1.51Å | 1.53Å | |
C16 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C11 | sing | 1.54Å | 1.50Å | |
C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
C22 | C10 | sing | 1.51Å | 1.55Å | |
C10 | C11 | sing | 1.54Å | 1.49Å | |
C10 | N09 | sing | 1.46Å | 1.42Å | |
C11 | C12 | sing | 1.51Å | 1.52Å | |
O23 | C08 | doub | 1.22Å | 1.19Å | |
C08 | N09 | sing | 1.35Å | 1.44Å | |
C08 | C07 | sing | 1.48Å | 1.51Å | |
C12 | O13 | doub | 1.21Å | 1.26Å | |
C12 | O14 | sing | 1.34Å | 1.26Å | |
C24 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
C07 | C06 | sing | 1.40Å | 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 | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C19 | H191 | sing | 1.08Å | 1.08Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C06 | H061 | 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 | H012 | sing | 0.97Å | 1.00Å | |
N01 | H011 | sing | 0.97Å | 1.00Å | |
N03 | H031 | sing | 0.97Å | 1.00Å | |
N09 | H091 | sing | 0.97Å | 1.00Å | |
O14 | 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) |
O18 | C17 | C19 | 123.9° | 119.9° |
O18 | C17 | C16 | 116.5° | 120.0° |
C17 | O18 | H181 | 109.5° | 114.0° |
C17 | C19 | C20 | 120.3° | 119.8° |
C19 | C17 | C16 | 119.6° | 120.1° |
C17 | C19 | H191 | 119.9° | 120.1° |
C19 | C20 | C21 | 119.7° | 120.0° |
C19 | C20 | H201 | 120.1° | 120.0° |
C20 | C19 | H191 | 119.9° | 120.1° |
C17 | C16 | C15 | 128.3° | 130.4° |
C17 | C16 | C22 | 121.1° | 119.8° |
C20 | C21 | C22 | 120.0° | 120.3° |
C21 | C20 | H201 | 120.1° | 120.0° |
C20 | C21 | H211 | 120.0° | 119.8° |
C15 | C16 | C22 | 110.6° | 109.8° |
C16 | C15 | C11 | 104.2° | 105.2° |
C16 | C15 | H151 | 110.8° | 110.3° |
C16 | C15 | H152 | 110.8° | 110.3° |
C16 | C22 | C21 | 119.3° | 119.9° |
C16 | C22 | C10 | 106.1° | 109.8° |
C15 | C11 | C10 | 103.5° | 102.4° |
C15 | C11 | C12 | 112.4° | 110.8° |
C11 | C15 | H151 | 110.8° | 110.3° |
C11 | C15 | H152 | 110.7° | 110.3° |
C15 | C11 | H111 | 109.0° | 110.9° |
C21 | C22 | C10 | 134.5° | 130.3° |
C22 | C21 | H211 | 120.0° | 119.9° |
C22 | C10 | C11 | 105.3° | 105.1° |
C22 | C10 | N09 | 120.5° | 110.3° |
C22 | C10 | H101 | 106.6° | 110.3° |
C11 | C10 | N09 | 108.4° | 110.3° |
C10 | C11 | C12 | 114.1° | 110.8° |
C10 | C11 | H111 | 109.0° | 111.0° |
C11 | C10 | H101 | 107.2° | 110.3° |
C10 | N09 | C08 | 117.7° | 120.0° |
N09 | C10 | H101 | 108.1° | 110.3° |
C10 | N09 | H091 | 121.1° | 120.0° |
C11 | C12 | O13 | 121.7° | 120.0° |
C11 | C12 | O14 | 116.9° | 120.0° |
C12 | C11 | H111 | 108.7° | 110.7° |
O23 | C08 | N09 | 122.0° | 120.0° |
O23 | C08 | C07 | 122.5° | 120.0° |
N09 | C08 | C07 | 115.2° | 120.0° |
C08 | N09 | H091 | 121.2° | 120.0° |
C08 | C07 | C24 | 117.3° | 120.1° |
C08 | C07 | C06 | 120.4° | 120.1° |
O13 | C12 | O14 | 121.3° | 120.0° |
C12 | O14 | H1 | 109.5° | 117.0° |
C07 | C24 | C25 | 119.4° | 119.9° |
C24 | C07 | C06 | 122.1° | 119.8° |
C07 | C24 | H241 | 120.3° | 120.0° |
C24 | C25 | C04 | 119.1° | 120.0° |
C25 | C24 | H241 | 120.3° | 120.0° |
C24 | C25 | H251 | 120.5° | 119.9° |
C07 | C06 | C05 | 118.4° | 119.9° |
C07 | C06 | H061 | 120.8° | 120.1° |
C06 | C05 | C04 | 119.9° | 120.1° |
C06 | C05 | H051 | 120.1° | 119.9° |
C05 | C06 | H061 | 120.8° | 120.0° |
C25 | C04 | C05 | 121.1° | 120.2° |
C25 | C04 | N03 | 123.2° | 119.9° |
C04 | C25 | H251 | 120.4° | 120.0° |
C05 | C04 | N03 | 115.6° | 119.9° |
C04 | C05 | H051 | 120.0° | 120.0° |
C04 | N03 | C02 | 124.0° | 120.0° |
C04 | N03 | H031 | 118.0° | 120.0° |
O26 | C02 | N03 | 124.4° | 120.0° |
O26 | C02 | N01 | 121.5° | 120.0° |
N03 | C02 | N01 | 114.1° | 120.0° |
C02 | N03 | H031 | 118.0° | 120.0° |
C02 | N01 | H012 | 120.0° | 120.0° |
C02 | N01 | H011 | 120.0° | 120.0° |
H151 | C15 | H152 | 109.5° | 110.3° |
H012 | N01 | H011 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O18 | C17 | C19 | C16 | 179.3° | 180.0° |
O18 | C17 | C19 | C20 | 179.5° | 180.0° |
O18 | C17 | C16 | C15 | 1.4° | 0.1° |
O18 | C17 | C16 | C22 | 179.3° | 179.7° |
O18 | C17 | C19 | H191 | 0.5° | 0.1° |
C17 | C19 | C20 | H191 | 180.0° | 180.0° |
C17 | C19 | C20 | C21 | 0.0° | 0.3° |
C19 | C17 | C16 | C15 | 179.2° | 180.0° |
C19 | C17 | C16 | C22 | 1.3° | 0.2° |
C17 | C19 | C20 | H201 | 180.0° | 180.0° |
C19 | C17 | O18 | H181 | 180.0° | 90.0° |
C20 | C19 | C17 | C16 | 0.2° | 0.0° |
C19 | C20 | C21 | H201 | 180.0° | 179.6° |
C19 | C20 | C21 | C22 | 0.9° | 0.4° |
C19 | C20 | C21 | H211 | 179.2° | 179.7° |
C17 | C16 | C15 | C22 | 178.1° | 179.8° |
C17 | C16 | C15 | C11 | 161.7° | 162.6° |
C17 | C16 | C22 | C21 | 2.2° | 0.1° |
C17 | C16 | C22 | C10 | 178.3° | 179.8° |
C17 | C16 | C15 | H151 | 42.5° | 43.6° |
C17 | C16 | C15 | H152 | 79.2° | 78.5° |
C16 | C17 | C19 | H191 | 179.8° | 180.0° |
C16 | C17 | O18 | H181 | 0.6° | 89.9° |
C20 | C21 | C22 | C16 | 1.9° | 0.2° |
C20 | C21 | C22 | H211 | 180.0° | 179.9° |
C20 | C21 | C22 | C10 | 176.7° | 179.9° |
C21 | C20 | C19 | H191 | 180.0° | 179.7° |
C16 | C15 | C11 | H151 | 119.2° | 118.9° |
C16 | C15 | C11 | H152 | 119.2° | 118.9° |
C15 | C16 | C22 | C21 | 179.6° | 180.0° |
C15 | C16 | C22 | C10 | 3.5° | 0.1° |
C16 | C15 | C11 | C10 | 29.3° | 26.3° |
C16 | C15 | C11 | C12 | 94.3° | 91.9° |
C16 | C15 | H151 | H152 | 122.4° | 122.1° |
C16 | C15 | C11 | H111 | 145.2° | 144.8° |
C22 | C16 | C15 | C11 | 16.4° | 17.2° |
C16 | C22 | C21 | C10 | 174.7° | 179.9° |
C16 | C22 | C10 | C11 | 22.3° | 17.1° |
C16 | C22 | C10 | N09 | 145.1° | 136.1° |
C22 | C16 | C15 | H151 | 135.5° | 136.2° |
C22 | C16 | C15 | H152 | 102.8° | 101.7° |
C16 | C22 | C10 | H101 | 91.4° | 101.8° |
C16 | C22 | C21 | H211 | 178.1° | 179.9° |
C15 | C11 | C10 | C22 | 31.8° | 26.3° |
C15 | C11 | C10 | C12 | 122.4° | 118.2° |
C15 | C11 | C10 | H111 | 115.9° | 118.4° |
C15 | C11 | C10 | N09 | 162.0° | 145.3° |
C15 | C11 | C12 | H111 | 120.7° | 123.4° |
C15 | C11 | C12 | O13 | 71.5° | 34.9° |
C15 | C11 | C12 | O14 | 108.9° | 145.1° |
C11 | C15 | H151 | H152 | 122.4° | 122.1° |
C15 | C11 | C10 | H101 | 81.4° | 92.6° |
C21 | C22 | C10 | C11 | 162.5° | 162.8° |
C21 | C22 | C10 | N09 | 39.7° | 43.8° |
C21 | C22 | C10 | H101 | 83.8° | 78.3° |
C22 | C21 | C20 | H201 | 179.2° | 179.9° |
C22 | C10 | C11 | N09 | 130.2° | 119.0° |
C22 | C10 | C11 | H101 | 113.3° | 118.9° |
C22 | C10 | N09 | H101 | 122.8° | 122.1° |
C22 | C10 | C11 | C12 | 90.6° | 91.9° |
C22 | C10 | N09 | C08 | 108.8° | 85.0° |
C22 | C10 | C11 | H111 | 147.7° | 144.7° |
C10 | C22 | C21 | H211 | 3.3° | 0.0° |
C22 | C10 | N09 | H091 | 71.2° | 94.9° |
C11 | C10 | N09 | H101 | 115.9° | 122.1° |
C10 | C11 | C12 | H111 | 121.9° | 123.6° |
C11 | C10 | N09 | C08 | 129.9° | 159.3° |
C10 | C11 | C12 | O13 | 45.9° | 78.1° |
C10 | C11 | C12 | O14 | 133.7° | 101.9° |
C10 | C11 | C15 | H151 | 148.5° | 145.3° |
C10 | C11 | C15 | H152 | 89.9° | 92.6° |
C11 | C10 | N09 | H091 | 50.1° | 20.8° |
N09 | C10 | C11 | C12 | 39.6° | 27.0° |
C10 | N09 | C08 | O23 | 5.4° | 0.0° |
C10 | N09 | C08 | H091 | 180.0° | 179.9° |
C10 | N09 | C08 | C07 | 178.4° | 180.0° |
N09 | C10 | C11 | H111 | 82.1° | 96.4° |
C11 | C12 | O13 | O14 | 179.6° | 180.0° |
C12 | C11 | C15 | H151 | 24.9° | 27.1° |
C12 | C11 | C15 | H152 | 146.6° | 149.2° |
C12 | C11 | C10 | H101 | 156.2° | 149.1° |
C11 | C12 | O14 | H1 | 179.7° | 179.9° |
O23 | C08 | N09 | C07 | 173.0° | 180.0° |
O23 | C08 | C07 | C24 | 20.6° | 180.0° |
O23 | C08 | C07 | C06 | 164.0° | 0.0° |
O23 | C08 | N09 | H091 | 174.6° | 179.9° |
N09 | C08 | C07 | C24 | 152.4° | 0.0° |
N09 | C08 | C07 | C06 | 23.0° | 180.0° |
C08 | N09 | C10 | H101 | 13.9° | 37.1° |
C08 | C07 | C24 | C06 | 175.3° | 179.9° |
C08 | C07 | C24 | C25 | 177.4° | 179.7° |
C08 | C07 | C06 | C05 | 177.4° | 180.0° |
C08 | C07 | C06 | H061 | 2.5° | 0.1° |
C08 | C07 | C24 | H241 | 2.7° | 0.1° |
C07 | C08 | N09 | H091 | 1.6° | 0.1° |
O13 | C12 | C11 | H111 | 167.8° | 158.3° |
O13 | C12 | O14 | H1 | 0.0° | 0.0° |
O14 | C12 | C11 | H111 | 11.8° | 21.6° |
C07 | C24 | C25 | H241 | 180.0° | 179.8° |
C24 | C07 | C06 | C05 | 2.2° | 0.0° |
C07 | C24 | C25 | C04 | 0.0° | 0.5° |
C24 | C07 | C06 | H061 | 177.7° | 180.0° |
C07 | C24 | C25 | H251 | 180.0° | 180.0° |
C25 | C24 | C07 | C06 | 2.0° | 0.2° |
C24 | C25 | C04 | H251 | 180.0° | 179.5° |
C24 | C25 | C04 | C05 | 1.8° | 0.5° |
C24 | C25 | C04 | N03 | 177.9° | 179.8° |
C07 | C06 | C05 | H061 | 180.0° | 180.0° |
C07 | C06 | C05 | C04 | 0.4° | 0.0° |
C07 | C06 | C05 | H051 | 179.6° | 180.0° |
C06 | C07 | C24 | H241 | 178.0° | 180.0° |
C06 | C05 | C04 | C25 | 1.6° | 0.3° |
C06 | C05 | C04 | H051 | 180.0° | 180.0° |
C06 | C05 | C04 | N03 | 178.0° | 180.0° |
C25 | C04 | C05 | N03 | 176.4° | 179.7° |
C25 | C04 | N03 | C02 | 0.2° | 35.5° |
C25 | C04 | C05 | H051 | 178.5° | 179.7° |
C04 | C25 | C24 | H241 | 180.0° | 179.7° |
C25 | C04 | N03 | H031 | 179.8° | 144.4° |
C05 | C04 | N03 | C02 | 176.1° | 144.8° |
C04 | C05 | C06 | H061 | 179.6° | 180.0° |
C05 | C04 | C25 | H251 | 178.2° | 180.0° |
C05 | C04 | N03 | H031 | 3.9° | 35.3° |
C04 | N03 | C02 | O26 | 4.0° | 4.2° |
C04 | N03 | C02 | H031 | 180.0° | 179.9° |
C04 | N03 | C02 | N01 | 177.8° | 175.8° |
N03 | C04 | C05 | H051 | 2.0° | 0.0° |
N03 | C04 | C25 | H251 | 2.1° | 0.3° |
O26 | C02 | N03 | N01 | 178.2° | 180.0° |
O26 | C02 | N01 | H012 | 0.0° | 180.0° |
O26 | C02 | N01 | H011 | 180.0° | 0.0° |
O26 | C02 | N03 | H031 | 176.0° | 175.7° |
N03 | C02 | N01 | H012 | 178.2° | 0.0° |
N03 | C02 | N01 | H011 | 1.7° | 180.0° |
C02 | N01 | H012 | H011 | 179.9° | 180.0° |
N01 | C02 | N03 | H031 | 2.1° | 4.3° |
H151 | C15 | C11 | H111 | 95.6° | 96.3° |
H152 | C15 | C11 | H111 | 26.0° | 25.9° |
H111 | C11 | C10 | H101 | 34.4° | 25.7° |
H101 | C10 | N09 | H091 | 166.1° | 143.0° |
H201 | C20 | C19 | H191 | 0.0° | 0.1° |
H201 | C20 | C21 | H211 | 0.8° | 0.1° |
H051 | C05 | C06 | H061 | 0.5° | 0.0° |
H241 | C24 | C25 | H251 | 0.0° | 0.2° |