C0F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.20Å | |
C13 | C14 | sing | 1.54Å | 1.66Å | |
C13 | S12 | sing | 1.82Å | 1.73Å | |
C14 | C | sing | 1.51Å | 1.38Å | |
C14 | N15 | sing | 1.45Å | 1.54Å | |
S12 | C11 | sing | 1.77Å | 1.52Å | |
N15 | C11 | doub | 1.28Å | 1.52Å | |
C11 | C07 | sing | 1.48Å | 1.53Å | |
N08 | C07 | doub | 1.33Å | 1.49Å | Aromatic |
N08 | C09 | sing | 1.32Å | 1.48Å | Aromatic |
C07 | C06 | sing | 1.39Å | 1.54Å | Aromatic |
C09 | C10 | doub | 1.38Å | 1.52Å | Aromatic |
C06 | C05 | doub | 1.39Å | 1.51Å | Aromatic |
C10 | C05 | sing | 1.39Å | 1.50Å | Aromatic |
C05 | C04 | sing | 1.51Å | 1.54Å | |
C04 | CA | sing | 1.53Å | 1.55Å | |
N | CA | sing | 1.47Å | 1.46Å | |
CA | C02 | sing | 1.51Å | 1.56Å | |
C02 | O59 | doub | 1.21Å | 1.18Å | |
C02 | N01 | sing | 1.35Å | 1.46Å | |
C10 | H101 | sing | 1.08Å | 1.08Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C13 | H132 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C04 | H042 | sing | 1.09Å | 1.10Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C09 | H091 | sing | 1.08Å | 1.08Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
N01 | H011 | sing | 0.97Å | 1.00Å | |
N01 | H012 | sing | 0.97Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
N | H | sing | 1.01Å | 1.00Å | |
C | OXT | sing | 1.34Å | 1.45Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | C14 | 120.7° | 120.0° |
O | C | OXT | 119.3° | 120.0° |
C14 | C13 | S12 | 101.4° | 103.2° |
C13 | C14 | C | 106.9° | 109.1° |
C13 | C14 | N15 | 105.0° | 111.2° |
C14 | C13 | H131 | 111.5° | 110.7° |
C14 | C13 | H132 | 111.5° | 110.7° |
C13 | C14 | H141 | 107.8° | 109.1° |
C13 | S12 | C11 | 105.6° | 95.6° |
S12 | C13 | H131 | 111.5° | 110.6° |
S12 | C13 | H132 | 111.4° | 110.7° |
C | C14 | N15 | 115.6° | 109.2° |
C | C14 | H141 | 111.7° | 109.1° |
C14 | C | OXT | 120.0° | 120.1° |
C14 | N15 | C11 | 110.4° | 119.9° |
N15 | C14 | H141 | 109.3° | 109.1° |
S12 | C11 | N15 | 110.9° | 110.0° |
S12 | C11 | C07 | 116.9° | 125.0° |
N15 | C11 | C07 | 127.2° | 125.0° |
C11 | C07 | N08 | 112.0° | 119.7° |
C11 | C07 | C06 | 128.4° | 119.7° |
C07 | N08 | C09 | 121.5° | 121.6° |
N08 | C07 | C06 | 119.6° | 120.5° |
N08 | C09 | C10 | 119.4° | 120.9° |
N08 | C09 | H091 | 120.3° | 119.6° |
C07 | C06 | C05 | 119.1° | 119.1° |
C07 | C06 | H061 | 120.5° | 120.5° |
C09 | C10 | C05 | 120.6° | 119.3° |
C09 | C10 | H101 | 119.7° | 120.3° |
C10 | C09 | H091 | 120.3° | 119.5° |
C06 | C05 | C10 | 119.7° | 118.5° |
C06 | C05 | C04 | 124.3° | 120.8° |
C05 | C06 | H061 | 120.5° | 120.5° |
C10 | C05 | C04 | 116.0° | 120.7° |
C05 | C10 | H101 | 119.7° | 120.4° |
C05 | C04 | CA | 115.1° | 109.5° |
C05 | C04 | H041 | 108.0° | 109.5° |
C05 | C04 | H042 | 108.1° | 109.4° |
C04 | CA | N | 114.7° | 109.4° |
C04 | CA | C02 | 107.5° | 109.5° |
C04 | CA | HA | 105.5° | 109.4° |
CA | C04 | H041 | 108.0° | 109.5° |
CA | C04 | H042 | 108.0° | 109.4° |
N | CA | C02 | 116.4° | 109.5° |
N | CA | HA | 106.5° | 109.5° |
CA | N | H2 | 109.5° | 111.0° |
CA | N | H | 109.5° | 111.0° |
CA | C02 | O59 | 120.7° | 120.0° |
CA | C02 | N01 | 122.6° | 120.0° |
C02 | CA | HA | 105.4° | 109.5° |
O59 | C02 | N01 | 116.7° | 120.0° |
C02 | N01 | H011 | 120.0° | 120.0° |
C02 | N01 | H012 | 120.0° | 120.0° |
H131 | C13 | H132 | 109.5° | 110.7° |
H041 | C04 | H042 | 109.5° | 109.5° |
H011 | N01 | H012 | 120.0° | 120.0° |
H2 | N | H | 109.4° | 111.0° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | C14 | C13 | 50.4° | 100.0° |
O | C | C14 | OXT | 179.0° | 180.0° |
O | C | C14 | N15 | 166.8° | 21.7° |
O | C | C14 | H141 | 67.4° | 140.9° |
O | C | OXT | HXT | 0.0° | 0.0° |
C14 | C13 | S12 | H131 | 118.7° | 118.5° |
C14 | C13 | S12 | H132 | 118.7° | 118.5° |
C13 | C14 | C | N15 | 116.5° | 121.7° |
C13 | C14 | C | H141 | 117.8° | 119.1° |
C13 | C14 | N15 | H141 | 115.5° | 120.4° |
C14 | C13 | S12 | C11 | 17.3° | 0.0° |
C13 | C14 | N15 | C11 | 25.3° | 0.0° |
C14 | C13 | H131 | H132 | 123.8° | 123.1° |
C13 | C14 | C | OXT | 130.6° | 80.0° |
S12 | C13 | C14 | C | 98.3° | 120.5° |
S12 | C13 | C14 | N15 | 25.0° | 0.0° |
C13 | S12 | C11 | N15 | 3.1° | 0.0° |
C13 | S12 | C11 | C07 | 153.7° | 180.0° |
S12 | C13 | H131 | H132 | 123.8° | 123.1° |
S12 | C13 | C14 | H141 | 141.5° | 120.4° |
C | C14 | N15 | H141 | 127.0° | 119.2° |
C | C14 | N15 | C11 | 92.3° | 120.4° |
C | C14 | C13 | H131 | 20.4° | 2.1° |
C | C14 | C13 | H132 | 143.1° | 121.1° |
C14 | C | OXT | HXT | 179.1° | 180.0° |
C14 | N15 | C11 | S12 | 14.1° | 0.0° |
C14 | N15 | C11 | C07 | 168.0° | 180.0° |
N15 | C14 | C13 | H131 | 143.7° | 118.4° |
N15 | C14 | C13 | H132 | 93.7° | 118.5° |
N15 | C14 | C | OXT | 14.1° | 158.3° |
S12 | C11 | N15 | C07 | 153.9° | 180.0° |
S12 | C11 | C07 | N08 | 0.4° | 0.1° |
S12 | C11 | C07 | C06 | 178.5° | 180.0° |
C11 | S12 | C13 | H131 | 136.0° | 118.5° |
C11 | S12 | C13 | H132 | 101.4° | 118.5° |
N15 | C11 | C07 | N08 | 152.9° | 180.0° |
N15 | C11 | C07 | C06 | 28.9° | 0.0° |
C11 | N15 | C14 | H141 | 140.7° | 120.4° |
C11 | C07 | N08 | C06 | 178.3° | 179.9° |
C11 | C07 | N08 | C09 | 179.2° | 179.7° |
C11 | C07 | C06 | C05 | 179.2° | 180.0° |
C11 | C07 | C06 | H061 | 0.7° | 0.1° |
C07 | N08 | C09 | C10 | 0.3° | 0.4° |
N08 | C07 | C06 | C05 | 1.2° | 0.1° |
N08 | C07 | C06 | H061 | 178.8° | 180.0° |
C07 | N08 | C09 | H091 | 179.7° | 180.0° |
C09 | N08 | C07 | C06 | 0.9° | 0.2° |
N08 | C09 | C10 | H091 | 180.0° | 179.6° |
N08 | C09 | C10 | C05 | 0.2° | 0.5° |
N08 | C09 | C10 | H101 | 179.8° | 179.7° |
C07 | C06 | C05 | H061 | 180.0° | 179.9° |
C07 | C06 | C05 | C10 | 1.1° | 0.0° |
C07 | C06 | C05 | C04 | 179.1° | 180.0° |
C09 | C10 | C05 | C06 | 0.6° | 0.2° |
C09 | C10 | C05 | H101 | 180.0° | 179.8° |
C09 | C10 | C05 | C04 | 179.6° | 179.7° |
C06 | C05 | C10 | C04 | 179.8° | 180.0° |
C06 | C05 | C04 | CA | 95.1° | 89.9° |
C06 | C05 | C10 | H101 | 179.4° | 180.0° |
C06 | C05 | C04 | H041 | 25.7° | 150.0° |
C06 | C05 | C04 | H042 | 144.1° | 30.0° |
C10 | C05 | C04 | CA | 85.1° | 90.0° |
C10 | C05 | C04 | H041 | 154.1° | 30.0° |
C10 | C05 | C04 | H042 | 35.7° | 150.0° |
C10 | C05 | C06 | H061 | 178.9° | 180.0° |
C05 | C10 | C09 | H091 | 179.8° | 180.0° |
C05 | C04 | CA | H041 | 120.8° | 120.1° |
C05 | C04 | CA | H042 | 120.8° | 119.9° |
C05 | C04 | CA | N | 77.5° | 65.0° |
C05 | C04 | CA | C02 | 151.4° | 175.0° |
C04 | C05 | C10 | H101 | 0.4° | 0.1° |
C05 | C04 | CA | HA | 39.3° | 54.9° |
C05 | C04 | H041 | H042 | 117.5° | 120.0° |
C04 | C05 | C06 | H061 | 0.9° | 0.1° |
C04 | CA | N | C02 | 126.6° | 120.0° |
C04 | CA | N | HA | 116.2° | 119.9° |
C04 | CA | C02 | HA | 112.1° | 120.0° |
C04 | CA | C02 | O59 | 171.1° | 100.0° |
C04 | CA | C02 | N01 | 9.3° | 80.0° |
CA | C04 | H041 | H042 | 117.4° | 120.0° |
C04 | CA | N | H2 | 180.0° | 60.0° |
C04 | CA | N | H | 60.0° | 64.0° |
N | CA | C02 | HA | 117.7° | 120.1° |
N | CA | C02 | O59 | 41.0° | 20.0° |
N | CA | C02 | N01 | 139.5° | 160.1° |
N | CA | C04 | H041 | 161.7° | 55.0° |
N | CA | C04 | H042 | 43.4° | 175.0° |
CA | N | H2 | H | 120.0° | 124.0° |
CA | C02 | O59 | N01 | 179.6° | 180.0° |
C02 | CA | C04 | H041 | 30.6° | 64.9° |
C02 | CA | C04 | H042 | 87.8° | 55.0° |
CA | C02 | N01 | H011 | 179.6° | 180.0° |
CA | C02 | N01 | H012 | 0.5° | 0.1° |
C02 | CA | N | H2 | 53.3° | 60.0° |
C02 | CA | N | H | 66.6° | 176.0° |
O59 | C02 | CA | HA | 76.7° | 140.0° |
O59 | C02 | N01 | H011 | 0.0° | 0.0° |
O59 | C02 | N01 | H012 | 180.0° | 180.0° |
N01 | C02 | CA | HA | 102.8° | 40.0° |
C02 | N01 | H011 | H012 | 180.0° | 179.9° |
H101 | C10 | C09 | H091 | 0.2° | 0.2° |
H131 | C13 | C14 | H141 | 99.8° | 121.2° |
H132 | C13 | C14 | H141 | 22.8° | 1.9° |
HA | CA | C04 | H041 | 81.5° | 175.0° |
HA | CA | C04 | H042 | 160.2° | 65.0° |
HA | CA | N | H2 | 63.8° | 179.9° |
HA | CA | N | H | 176.3° | 56.0° |
H141 | C14 | C | OXT | 111.6° | 39.1° |