9RF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O28 | C27 | doub | 1.21Å | 1.26Å | |
O29 | C27 | sing | 1.34Å | 1.26Å | |
C27 | C26 | sing | 1.51Å | 1.53Å | |
C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
C22 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
S05 | C04 | sing | 1.76Å | 1.81Å | |
S05 | C06 | sing | 1.81Å | 1.81Å | |
C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
C06 | C07 | sing | 1.51Å | 1.52Å | |
C26 | O25 | sing | 1.43Å | 1.40Å | |
C24 | O25 | sing | 1.36Å | 1.40Å | |
C24 | C02 | sing | 1.39Å | 1.37Å | Aromatic |
C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
C02 | C01 | sing | 1.51Å | 1.52Å | |
C07 | N08 | doub | 1.29Å | 1.33Å | Aromatic |
C07 | S11 | sing | 1.71Å | 1.72Å | Aromatic |
N08 | N09 | sing | 1.26Å | 1.38Å | Aromatic |
S11 | C10 | sing | 1.76Å | 1.73Å | Aromatic |
N09 | C10 | doub | 1.31Å | 1.32Å | Aromatic |
C10 | C12 | sing | 1.48Å | 1.51Å | |
C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
C12 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | C16 | sing | 1.51Å | 1.52Å | |
C16 | F19 | sing | 1.40Å | 1.37Å | |
C16 | F18 | sing | 1.40Å | 1.36Å | |
C16 | F17 | sing | 1.40Å | 1.36Å | |
C13 | H131 | sing | 1.08Å | 1.08Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C22 | H221 | sing | 1.08Å | 1.08Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C26 | H261 | 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 | |
C03 | H031 | sing | 1.08Å | 1.08Å | |
C06 | H062 | sing | 1.09Å | 1.10Å | |
C06 | H061 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.08Å | 1.08Å | |
C23 | H231 | sing | 1.08Å | 1.08Å | |
O29 | H1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O28 | C27 | O29 | 121.6° | 120.0° |
O28 | C27 | C26 | 120.7° | 120.0° |
O29 | C27 | C26 | 117.7° | 120.0° |
C27 | O29 | H1 | 109.5° | 117.0° |
C27 | C26 | O25 | 111.6° | 109.5° |
C27 | C26 | H262 | 108.9° | 109.5° |
C27 | C26 | H261 | 109.0° | 109.5° |
C23 | C22 | C04 | 118.4° | 120.0° |
C22 | C23 | C24 | 120.8° | 120.0° |
C23 | C22 | H221 | 120.8° | 120.1° |
C22 | C23 | H231 | 119.6° | 120.0° |
C22 | C04 | S05 | 120.8° | 120.0° |
C22 | C04 | C03 | 120.7° | 120.0° |
C04 | C22 | H221 | 120.8° | 120.0° |
C23 | C24 | O25 | 122.6° | 120.0° |
C23 | C24 | C02 | 119.8° | 120.1° |
C24 | C23 | H231 | 119.6° | 120.0° |
C04 | S05 | C06 | 103.7° | 103.0° |
S05 | C04 | C03 | 118.5° | 120.0° |
S05 | C06 | C07 | 110.5° | 109.5° |
S05 | C06 | H062 | 109.2° | 109.5° |
S05 | C06 | H061 | 109.2° | 109.4° |
C04 | C03 | C02 | 120.3° | 120.0° |
C04 | C03 | H031 | 119.8° | 120.0° |
C06 | C07 | N08 | 126.0° | 125.6° |
C06 | C07 | S11 | 127.1° | 125.5° |
C07 | C06 | H062 | 109.2° | 109.5° |
C07 | C06 | H061 | 109.2° | 109.5° |
C26 | O25 | C24 | 113.7° | 117.0° |
O25 | C26 | H262 | 108.9° | 109.4° |
O25 | C26 | H261 | 108.9° | 109.4° |
O25 | C24 | C02 | 117.6° | 120.0° |
C24 | C02 | C03 | 119.9° | 120.0° |
C24 | C02 | C01 | 120.0° | 120.0° |
C03 | C02 | C01 | 120.1° | 120.0° |
C02 | C03 | H031 | 119.8° | 120.0° |
C02 | C01 | H012 | 109.5° | 109.5° |
C02 | C01 | H013 | 109.5° | 109.5° |
C02 | C01 | H011 | 109.5° | 109.4° |
N08 | C07 | S11 | 106.8° | 108.9° |
C07 | N08 | N09 | 115.9° | 117.9° |
C07 | S11 | C10 | 94.7° | 89.4° |
N08 | N09 | C10 | 115.8° | 116.3° |
S11 | C10 | N09 | 106.8° | 107.5° |
S11 | C10 | C12 | 128.1° | 126.2° |
N09 | C10 | C12 | 125.0° | 126.2° |
C10 | C12 | C13 | 119.7° | 120.2° |
C10 | C12 | C21 | 119.6° | 120.1° |
C13 | C12 | C21 | 120.7° | 119.7° |
C12 | C13 | C14 | 119.7° | 119.9° |
C12 | C13 | H131 | 120.2° | 120.1° |
C12 | C21 | C20 | 119.9° | 119.8° |
C12 | C21 | H211 | 120.1° | 120.1° |
C13 | C14 | C15 | 120.0° | 120.1° |
C14 | C13 | H131 | 120.2° | 120.0° |
C13 | C14 | H141 | 120.0° | 119.9° |
C21 | C20 | C15 | 119.4° | 120.1° |
C21 | C20 | H201 | 120.3° | 120.0° |
C20 | C21 | H211 | 120.0° | 120.1° |
C14 | C15 | C20 | 120.3° | 120.3° |
C14 | C15 | C16 | 118.9° | 119.8° |
C15 | C14 | H141 | 120.0° | 120.0° |
C20 | C15 | C16 | 120.7° | 119.8° |
C15 | C20 | H201 | 120.3° | 119.9° |
C15 | C16 | F19 | 110.7° | 109.5° |
C15 | C16 | F18 | 108.4° | 109.5° |
C15 | C16 | F17 | 110.0° | 109.5° |
F19 | C16 | F18 | 111.4° | 109.5° |
F19 | C16 | F17 | 105.7° | 109.4° |
F18 | C16 | F17 | 110.5° | 109.5° |
H262 | C26 | H261 | 109.5° | 109.5° |
H012 | C01 | H013 | 109.5° | 109.5° |
H012 | C01 | H011 | 109.5° | 109.5° |
H013 | C01 | H011 | 109.4° | 109.4° |
H062 | C06 | H061 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O28 | C27 | O29 | C26 | 179.1° | 180.0° |
O28 | C27 | C26 | O25 | 2.8° | 0.0° |
O28 | C27 | C26 | H262 | 123.1° | 120.0° |
O28 | C27 | C26 | H261 | 117.5° | 120.0° |
O28 | C27 | O29 | H1 | 0.0° | 0.0° |
O29 | C27 | C26 | O25 | 178.0° | 180.0° |
O29 | C27 | C26 | H262 | 57.7° | 60.0° |
O29 | C27 | C26 | H261 | 61.6° | 60.0° |
C27 | C26 | O25 | H262 | 120.3° | 120.0° |
C27 | C26 | O25 | H261 | 120.3° | 120.0° |
C27 | C26 | O25 | C24 | 89.4° | 180.0° |
C27 | C26 | H262 | H261 | 119.1° | 120.1° |
C26 | C27 | O29 | H1 | 179.1° | 180.0° |
C23 | C22 | C04 | H221 | 180.0° | 179.8° |
C22 | C23 | C24 | H231 | 180.0° | 180.0° |
C23 | C22 | C04 | S05 | 179.9° | 180.0° |
C23 | C22 | C04 | C03 | 0.8° | 0.1° |
C22 | C23 | C24 | O25 | 180.0° | 180.0° |
C22 | C23 | C24 | C02 | 0.9° | 0.0° |
C04 | C22 | C23 | C24 | 1.1° | 0.0° |
C22 | C04 | S05 | C03 | 179.3° | 179.9° |
C22 | C04 | S05 | C06 | 54.2° | 0.0° |
C22 | C04 | C03 | C02 | 0.4° | 0.1° |
C22 | C04 | C03 | H031 | 179.7° | 180.0° |
C04 | C22 | C23 | H231 | 178.9° | 179.9° |
C23 | C24 | O25 | C26 | 21.0° | 0.0° |
C23 | C24 | O25 | C02 | 179.1° | 180.0° |
C23 | C24 | C02 | C03 | 0.5° | 0.0° |
C23 | C24 | C02 | C01 | 179.6° | 179.9° |
C24 | C23 | C22 | H221 | 178.9° | 179.7° |
C04 | S05 | C06 | C07 | 75.9° | 180.0° |
S05 | C04 | C03 | C02 | 179.7° | 180.0° |
S05 | C04 | C22 | H221 | 0.1° | 0.2° |
S05 | C04 | C03 | H031 | 0.3° | 0.0° |
C04 | S05 | C06 | H062 | 163.9° | 60.0° |
C04 | S05 | C06 | H061 | 44.2° | 60.0° |
C06 | S05 | C04 | C03 | 125.1° | 180.0° |
S05 | C06 | C07 | H062 | 120.1° | 120.0° |
S05 | C06 | C07 | H061 | 120.1° | 119.9° |
S05 | C06 | C07 | N08 | 129.3° | 90.0° |
S05 | C06 | C07 | S11 | 52.4° | 89.9° |
S05 | C06 | H062 | H061 | 119.5° | 119.9° |
C04 | C03 | C02 | C24 | 0.2° | 0.0° |
C04 | C03 | C02 | H031 | 180.0° | 180.0° |
C04 | C03 | C02 | C01 | 179.8° | 179.9° |
C03 | C04 | C22 | H221 | 179.2° | 179.7° |
C06 | C07 | N08 | S11 | 178.6° | 179.9° |
C06 | C07 | N08 | N09 | 177.9° | 180.0° |
C06 | C07 | S11 | C10 | 178.5° | 179.9° |
C07 | C06 | H062 | H061 | 119.6° | 120.0° |
C26 | O25 | C24 | C02 | 159.9° | 180.0° |
O25 | C26 | H262 | H261 | 119.0° | 120.0° |
O25 | C24 | C02 | C03 | 179.6° | 180.0° |
O25 | C24 | C02 | C01 | 0.5° | 0.1° |
C24 | O25 | C26 | H262 | 30.9° | 60.0° |
C24 | O25 | C26 | H261 | 150.2° | 60.0° |
O25 | C24 | C23 | H231 | 0.0° | 0.0° |
C24 | C02 | C03 | C01 | 180.0° | 179.9° |
C24 | C02 | C01 | H012 | 90.0° | 89.9° |
C24 | C02 | C01 | H013 | 150.0° | 150.0° |
C24 | C02 | C01 | H011 | 30.0° | 30.0° |
C24 | C02 | C03 | H031 | 179.8° | 180.0° |
C02 | C24 | C23 | H231 | 179.0° | 180.0° |
C03 | C02 | C01 | H012 | 90.0° | 90.0° |
C03 | C02 | C01 | H013 | 30.0° | 30.1° |
C03 | C02 | C01 | H011 | 149.9° | 150.0° |
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 | C03 | H031 | 0.1° | 0.1° |
N08 | C07 | S11 | C10 | 0.1° | 0.2° |
C07 | N08 | N09 | C10 | 1.2° | 0.0° |
N08 | C07 | C06 | H062 | 110.6° | 150.0° |
N08 | C07 | C06 | H061 | 9.1° | 30.0° |
S11 | C07 | N08 | N09 | 0.7° | 0.2° |
C07 | S11 | C10 | N09 | 0.5° | 0.2° |
C07 | S11 | C10 | C12 | 179.2° | 180.0° |
S11 | C07 | C06 | H062 | 67.8° | 30.2° |
S11 | C07 | C06 | H061 | 172.5° | 150.2° |
N08 | N09 | C10 | S11 | 1.0° | 0.2° |
N08 | N09 | C10 | C12 | 178.7° | 180.0° |
S11 | C10 | N09 | C12 | 179.7° | 179.8° |
S11 | C10 | C12 | C13 | 11.5° | 179.7° |
S11 | C10 | C12 | C21 | 169.0° | 0.3° |
N09 | C10 | C12 | C13 | 168.2° | 0.0° |
N09 | C10 | C12 | C21 | 11.3° | 179.9° |
C10 | C12 | C13 | C21 | 179.5° | 180.0° |
C10 | C12 | C13 | C14 | 179.4° | 180.0° |
C10 | C12 | C21 | C20 | 179.6° | 179.5° |
C10 | C12 | C13 | H131 | 0.5° | 0.3° |
C10 | C12 | C21 | H211 | 0.4° | 0.1° |
C12 | C13 | C14 | H131 | 180.0° | 179.7° |
C13 | C12 | C21 | C20 | 0.8° | 0.4° |
C12 | C13 | C14 | C15 | 0.7° | 0.3° |
C13 | C12 | C21 | H211 | 179.2° | 179.8° |
C12 | C13 | C14 | H141 | 179.3° | 179.8° |
C21 | C12 | C13 | C14 | 0.1° | 0.1° |
C12 | C21 | C20 | H211 | 180.0° | 179.4° |
C12 | C21 | C20 | C15 | 1.2° | 0.7° |
C21 | C12 | C13 | H131 | 179.9° | 179.8° |
C12 | C21 | C20 | H201 | 178.9° | 179.8° |
C13 | C14 | C15 | H141 | 180.0° | 179.9° |
C13 | C14 | C15 | C20 | 0.4° | 0.0° |
C13 | C14 | C15 | C16 | 179.9° | 180.0° |
C21 | C20 | C15 | C14 | 0.6° | 0.4° |
C21 | C20 | C15 | H201 | 180.0° | 179.6° |
C21 | C20 | C15 | C16 | 179.0° | 179.6° |
C14 | C15 | C20 | C16 | 179.6° | 180.0° |
C14 | C15 | C16 | F19 | 1.5° | 90.0° |
C14 | C15 | C16 | F18 | 121.1° | 150.0° |
C14 | C15 | C16 | F17 | 118.0° | 29.9° |
C15 | C14 | C13 | H131 | 179.3° | 180.0° |
C14 | C15 | C20 | H201 | 179.5° | 180.0° |
C20 | C15 | C16 | F19 | 178.1° | 90.0° |
C20 | C15 | C16 | F18 | 59.3° | 30.0° |
C20 | C15 | C16 | F17 | 61.6° | 150.1° |
C15 | C20 | C21 | H211 | 178.8° | 179.9° |
C20 | C15 | C14 | H141 | 179.7° | 180.0° |
C15 | C16 | F19 | F18 | 120.8° | 120.0° |
C15 | C16 | F19 | F17 | 119.1° | 120.0° |
C15 | C16 | F18 | F17 | 120.6° | 120.0° |
C16 | C15 | C20 | H201 | 1.0° | 0.0° |
C16 | C15 | C14 | H141 | 0.1° | 0.0° |
F19 | C16 | F18 | F17 | 117.3° | 120.0° |
H131 | C13 | C14 | H141 | 0.7° | 0.1° |
H201 | C20 | C21 | H211 | 1.1° | 0.4° |
H221 | C22 | C23 | H231 | 1.1° | 0.3° |
H012 | C01 | H013 | H011 | 120.0° | 120.0° |