YMF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C09 | sing | 1.41Å | 1.43Å | Aromatic |
C10 | N11 | doub | 1.31Å | 1.36Å | Aromatic |
C13 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
C13 | N12 | sing | 1.35Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.46Å | 1.52Å | |
C14 | C08 | doub | 1.38Å | 1.23Å | Aromatic |
C14 | N18 | sing | 1.38Å | 1.27Å | Aromatic |
C15 | O16 | doub | 1.22Å | 1.24Å | |
C15 | O17 | sing | 1.35Å | 1.30Å | |
C19 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
C19 | C07 | sing | 1.41Å | 1.57Å | Aromatic |
C19 | N18 | sing | 1.38Å | 1.46Å | Aromatic |
C01 | C02 | sing | 1.53Å | 1.54Å | |
C02 | C03 | sing | 1.51Å | 1.53Å | |
C02 | N20 | sing | 1.46Å | 1.43Å | |
C03 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
C04 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
C05 | C06 | sing | 1.37Å | 1.34Å | Aromatic |
C06 | C07 | doub | 1.40Å | 1.34Å | Aromatic |
C07 | C08 | sing | 1.47Å | 1.42Å | Aromatic |
C08 | C09 | sing | 1.48Å | 1.53Å | |
C21 | C22 | sing | 1.54Å | 1.48Å | |
C21 | N20 | sing | 1.47Å | 1.44Å | |
C22 | C23 | sing | 1.53Å | 1.67Å | |
C22 | O28 | sing | 1.46Å | 1.44Å | |
C23 | C24 | sing | 1.53Å | 1.43Å | |
C24 | C25 | sing | 1.53Å | 1.63Å | |
C24 | C27 | sing | 1.53Å | 1.44Å | |
C25 | N26 | sing | 1.47Å | 1.47Å | |
C29 | N20 | sing | 1.34Å | 1.43Å | |
C29 | O28 | sing | 1.34Å | 1.40Å | |
C29 | O30 | doub | 1.22Å | 1.19Å | |
N11 | N12 | sing | 1.40Å | 1.37Å | Aromatic |
C10 | H101 | sing | 1.08Å | 1.08Å | |
C13 | H131 | sing | 1.08Å | 1.08Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.08Å | 1.08Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C21 | H212 | sing | 1.09Å | 1.10Å | |
C22 | H1 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C24 | H241 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C27 | H271 | sing | 1.09Å | 1.10Å | |
C27 | H272 | sing | 1.09Å | 1.10Å | |
C27 | H2 | sing | 1.09Å | 1.10Å | |
N12 | H121 | sing | 0.97Å | 1.00Å | |
N18 | H181 | sing | 0.97Å | 1.00Å | |
N26 | H262 | sing | 1.01Å | 1.00Å | |
N26 | H3 | sing | 1.01Å | 1.00Å | |
O17 | H4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C09 | C10 | N11 | 108.1° | 108.1° |
C10 | C09 | C13 | 105.4° | 107.3° |
C10 | C09 | C08 | 125.7° | 126.3° |
C09 | C10 | H101 | 125.9° | 125.9° |
C10 | N11 | N12 | 110.0° | 108.8° |
N11 | C10 | H101 | 126.0° | 126.0° |
C09 | C13 | N12 | 108.3° | 107.4° |
C13 | C09 | C08 | 128.7° | 126.4° |
C09 | C13 | H131 | 125.9° | 126.2° |
C13 | N12 | N11 | 108.0° | 108.4° |
N12 | C13 | H131 | 125.9° | 126.3° |
C13 | N12 | H121 | 126.0° | 125.8° |
C15 | C14 | C08 | 132.1° | 125.6° |
C15 | C14 | N18 | 113.5° | 125.5° |
C14 | C15 | O16 | 115.8° | 120.0° |
C14 | C15 | O17 | 120.4° | 120.0° |
C08 | C14 | N18 | 114.3° | 108.9° |
C14 | C08 | C07 | 112.8° | 106.5° |
C14 | C08 | C09 | 129.8° | 126.8° |
C14 | N18 | C19 | 111.2° | 110.0° |
C14 | N18 | H181 | 124.4° | 125.0° |
O16 | C15 | O17 | 123.8° | 120.0° |
C15 | O17 | H4 | 109.5° | 114.0° |
C03 | C19 | C07 | 125.7° | 119.2° |
C03 | C19 | N18 | 134.6° | 132.8° |
C19 | C03 | C02 | 117.2° | 120.1° |
C19 | C03 | C04 | 114.9° | 119.8° |
C07 | C19 | N18 | 99.7° | 108.0° |
C19 | C07 | C06 | 112.4° | 119.9° |
C19 | C07 | C08 | 101.9° | 106.5° |
C19 | N18 | H181 | 124.3° | 124.9° |
C01 | C02 | C03 | 111.8° | 109.5° |
C01 | C02 | N20 | 113.6° | 109.5° |
C02 | C01 | H011 | 109.5° | 109.5° |
C02 | C01 | H013 | 109.5° | 109.4° |
C02 | C01 | H012 | 109.5° | 109.5° |
C01 | C02 | H021 | 108.0° | 109.5° |
C03 | C02 | N20 | 105.5° | 109.4° |
C02 | C03 | C04 | 127.9° | 120.0° |
C03 | C02 | H021 | 108.1° | 109.5° |
C02 | N20 | C21 | 126.4° | 125.6° |
C02 | N20 | C29 | 120.5° | 125.5° |
N20 | C02 | H021 | 109.6° | 109.4° |
C03 | C04 | C05 | 118.8° | 120.7° |
C03 | C04 | H041 | 120.6° | 119.7° |
C04 | C05 | C06 | 126.3° | 120.5° |
C05 | C04 | H041 | 120.6° | 119.7° |
C04 | C05 | H051 | 116.8° | 119.7° |
C05 | C06 | C07 | 121.9° | 119.8° |
C06 | C05 | H051 | 116.8° | 119.7° |
C05 | C06 | H061 | 119.0° | 120.1° |
C06 | C07 | C08 | 145.7° | 133.5° |
C07 | C06 | H061 | 119.1° | 120.1° |
C07 | C08 | C09 | 117.4° | 126.7° |
C22 | C21 | N20 | 101.8° | 103.8° |
C21 | C22 | C23 | 119.5° | 110.5° |
C21 | C22 | O28 | 108.6° | 104.0° |
C22 | C21 | H211 | 111.4° | 110.6° |
C22 | C21 | H212 | 111.3° | 110.5° |
C21 | C22 | H1 | 106.1° | 110.6° |
C21 | N20 | C29 | 111.8° | 108.9° |
N20 | C21 | H211 | 111.4° | 110.6° |
N20 | C21 | H212 | 111.4° | 110.6° |
C23 | C22 | O28 | 111.1° | 110.5° |
C22 | C23 | C24 | 87.0° | 109.5° |
C23 | C22 | H1 | 104.2° | 110.5° |
C22 | C23 | H232 | 114.8° | 109.5° |
C22 | C23 | H231 | 114.8° | 109.5° |
C22 | O28 | C29 | 108.6° | 109.4° |
O28 | C22 | H1 | 106.6° | 110.6° |
C23 | C24 | C25 | 110.4° | 109.5° |
C23 | C24 | C27 | 102.7° | 109.5° |
C24 | C23 | H232 | 114.7° | 109.4° |
C24 | C23 | H231 | 114.8° | 109.4° |
C23 | C24 | H241 | 109.9° | 109.5° |
C25 | C24 | C27 | 116.5° | 109.4° |
C24 | C25 | N26 | 108.5° | 109.5° |
C25 | C24 | H241 | 107.4° | 109.5° |
C24 | C25 | H251 | 109.7° | 109.5° |
C24 | C25 | H252 | 109.7° | 109.5° |
C27 | C24 | H241 | 109.7° | 109.5° |
C24 | C27 | H271 | 109.5° | 109.5° |
C24 | C27 | H272 | 109.5° | 109.4° |
C24 | C27 | H2 | 109.5° | 109.5° |
N26 | C25 | H251 | 109.7° | 109.5° |
N26 | C25 | H252 | 109.7° | 109.4° |
C25 | N26 | H262 | 109.5° | 111.0° |
C25 | N26 | H3 | 109.5° | 111.0° |
N20 | C29 | O28 | 106.2° | 113.9° |
N20 | C29 | O30 | 128.8° | 123.0° |
O28 | C29 | O30 | 125.0° | 123.1° |
N11 | N12 | H121 | 126.0° | 125.8° |
H011 | C01 | H013 | 109.5° | 109.5° |
H011 | C01 | H012 | 109.5° | 109.5° |
H013 | C01 | H012 | 109.4° | 109.4° |
H211 | C21 | H212 | 109.4° | 110.6° |
H232 | C23 | H231 | 109.5° | 109.5° |
H251 | C25 | H252 | 109.5° | 109.5° |
H271 | C27 | H272 | 109.5° | 109.4° |
H271 | C27 | H2 | 109.5° | 109.5° |
H272 | C27 | H2 | 109.4° | 109.5° |
H262 | N26 | H3 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C09 | C10 | N11 | H101 | 180.0° | 179.8° |
C10 | C09 | C13 | C08 | 175.7° | 179.9° |
C10 | C09 | C13 | N12 | 3.4° | 0.0° |
C10 | C09 | C08 | C14 | 145.0° | 115.0° |
C10 | C09 | C08 | C07 | 35.0° | 65.1° |
C09 | C10 | N11 | N12 | 3.9° | 0.0° |
C10 | C09 | C13 | H131 | 176.6° | 180.0° |
N11 | C10 | C09 | C13 | 4.4° | 0.0° |
C10 | N11 | N12 | C13 | 1.8° | 0.0° |
N11 | C10 | C09 | C08 | 179.7° | 180.0° |
C10 | N11 | N12 | H121 | 178.2° | 179.9° |
C09 | C13 | N12 | H131 | 180.0° | 180.0° |
C13 | C09 | C08 | C14 | 40.1° | 64.9° |
C13 | C09 | C08 | C07 | 139.9° | 115.0° |
C09 | C13 | N12 | N11 | 1.1° | 0.0° |
C13 | C09 | C10 | H101 | 175.5° | 179.8° |
C09 | C13 | N12 | H121 | 178.9° | 179.9° |
N12 | C13 | C09 | C08 | 179.1° | 179.9° |
C13 | N12 | N11 | H121 | 180.0° | 179.9° |
C15 | C14 | C08 | N18 | 177.7° | 179.7° |
C14 | C15 | O16 | O17 | 176.7° | 180.0° |
C15 | C14 | N18 | C19 | 175.6° | 180.0° |
C15 | C14 | C08 | C07 | 176.4° | 180.0° |
C15 | C14 | C08 | C09 | 3.6° | 0.1° |
C15 | C14 | N18 | H181 | 4.3° | 0.0° |
C14 | C15 | O17 | H4 | 176.5° | 180.0° |
C08 | C14 | C15 | O16 | 32.4° | 0.0° |
C08 | C14 | C15 | O17 | 150.8° | 180.0° |
C14 | C08 | C07 | C19 | 0.3° | 0.2° |
C08 | C14 | N18 | C19 | 2.5° | 0.3° |
C14 | C08 | C07 | C06 | 179.5° | 179.9° |
C14 | C08 | C07 | C09 | 180.0° | 179.9° |
C08 | C14 | N18 | H181 | 177.5° | 179.7° |
N18 | C14 | C15 | O16 | 145.3° | 179.7° |
N18 | C14 | C15 | O17 | 31.5° | 0.3° |
C14 | N18 | C19 | C03 | 179.0° | 179.8° |
C14 | N18 | C19 | C07 | 2.4° | 0.1° |
C14 | N18 | C19 | H181 | 180.0° | 180.0° |
N18 | C14 | C08 | C07 | 1.3° | 0.3° |
N18 | C14 | C08 | C09 | 178.6° | 179.8° |
O16 | C15 | O17 | H4 | 0.0° | 0.0° |
C03 | C19 | C07 | N18 | 178.8° | 179.9° |
C19 | C03 | C02 | C01 | 140.6° | 164.0° |
C19 | C03 | C02 | C04 | 179.8° | 179.9° |
C19 | C03 | C02 | N20 | 95.5° | 75.9° |
C19 | C03 | C04 | C05 | 0.6° | 0.1° |
C03 | C19 | C07 | C06 | 0.5° | 0.1° |
C03 | C19 | C07 | C08 | 179.7° | 180.0° |
C19 | C03 | C02 | H021 | 21.8° | 44.0° |
C19 | C03 | C04 | H041 | 179.4° | 180.0° |
C03 | C19 | N18 | H181 | 1.0° | 0.2° |
C07 | C19 | C03 | C02 | 179.7° | 180.0° |
C07 | C19 | C03 | C04 | 0.5° | 0.1° |
C19 | C07 | C06 | C05 | 1.3° | 0.1° |
C19 | C07 | C06 | C08 | 179.8° | 179.9° |
C19 | C07 | C08 | C09 | 179.7° | 179.9° |
C19 | C07 | C06 | H061 | 178.7° | 180.0° |
C07 | C19 | N18 | H181 | 177.6° | 179.9° |
N18 | C19 | C03 | C02 | 1.3° | 0.1° |
N18 | C19 | C03 | C04 | 178.8° | 180.0° |
N18 | C19 | C07 | C06 | 178.3° | 180.0° |
N18 | C19 | C07 | C08 | 1.5° | 0.1° |
C01 | C02 | C03 | N20 | 124.0° | 120.1° |
C01 | C02 | C03 | H021 | 118.8° | 120.0° |
C01 | C02 | N20 | H021 | 121.0° | 120.0° |
C01 | C02 | C03 | C04 | 39.6° | 15.9° |
C01 | C02 | N20 | C21 | 44.5° | 118.2° |
C01 | C02 | N20 | C29 | 149.4° | 61.8° |
C02 | C01 | H011 | H013 | 120.0° | 120.0° |
C02 | C01 | H011 | H012 | 120.0° | 120.0° |
C02 | C01 | H013 | H012 | 120.0° | 120.0° |
C03 | C02 | N20 | H021 | 116.2° | 120.0° |
C02 | C03 | C04 | C05 | 179.6° | 180.0° |
C03 | C02 | N20 | C21 | 78.3° | 121.8° |
C03 | C02 | N20 | C29 | 87.7° | 58.3° |
C03 | C02 | C01 | H011 | 180.0° | 60.0° |
C03 | C02 | C01 | H013 | 60.0° | 180.0° |
C03 | C02 | C01 | H012 | 60.0° | 60.0° |
C02 | C03 | C04 | H041 | 0.4° | 0.0° |
N20 | C02 | C03 | C04 | 84.4° | 104.1° |
C02 | N20 | C21 | C22 | 177.1° | 180.0° |
C02 | N20 | C21 | C29 | 167.0° | 180.0° |
C02 | N20 | C29 | O28 | 176.4° | 180.0° |
C02 | N20 | C29 | O30 | 3.8° | 0.0° |
N20 | C02 | C01 | H011 | 60.7° | 180.0° |
N20 | C02 | C01 | H013 | 59.3° | 60.0° |
N20 | C02 | C01 | H012 | 179.3° | 60.0° |
C02 | N20 | C21 | H211 | 58.3° | 61.4° |
C02 | N20 | C21 | H212 | 64.2° | 61.4° |
C03 | C04 | C05 | H041 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 0.2° | 0.1° |
C04 | C03 | C02 | H021 | 158.4° | 135.9° |
C03 | C04 | C05 | H051 | 179.8° | 180.0° |
C04 | C05 | C06 | H051 | 180.0° | 179.9° |
C04 | C05 | C06 | C07 | 1.3° | 0.1° |
C04 | C05 | C06 | H061 | 178.7° | 180.0° |
C05 | C06 | C07 | H061 | 180.0° | 180.0° |
C05 | C06 | C07 | C08 | 178.9° | 180.0° |
C06 | C05 | C04 | H041 | 179.8° | 180.0° |
C06 | C07 | C08 | C09 | 0.5° | 0.0° |
C07 | C06 | C05 | H051 | 178.7° | 180.0° |
C08 | C07 | C06 | H061 | 1.1° | 0.1° |
C08 | C09 | C10 | H101 | 0.4° | 0.2° |
C08 | C09 | C13 | H131 | 0.9° | 0.0° |
C22 | C21 | N20 | H211 | 118.8° | 118.6° |
C22 | C21 | N20 | H212 | 118.7° | 118.5° |
C21 | C22 | C23 | O28 | 127.5° | 114.6° |
C21 | C22 | C23 | H1 | 118.1° | 122.7° |
C21 | C22 | O28 | H1 | 113.8° | 118.8° |
C21 | C22 | C23 | C24 | 133.6° | 175.0° |
C22 | C21 | N20 | C29 | 15.9° | 0.0° |
C21 | C22 | O28 | C29 | 13.4° | 0.0° |
C22 | C21 | H211 | H212 | 123.6° | 122.7° |
C21 | C22 | C23 | H232 | 17.6° | 55.1° |
C21 | C22 | C23 | H231 | 110.5° | 65.0° |
N20 | C21 | C22 | C23 | 111.3° | 118.6° |
N20 | C21 | C22 | O28 | 17.4° | 0.0° |
C21 | N20 | C29 | O28 | 8.5° | 0.0° |
C21 | N20 | C29 | O30 | 171.7° | 180.0° |
C21 | N20 | C02 | H021 | 165.5° | 1.8° |
N20 | C21 | H211 | H212 | 123.6° | 122.9° |
N20 | C21 | C22 | H1 | 131.6° | 118.7° |
C23 | C22 | O28 | H1 | 112.9° | 122.6° |
C22 | C23 | C24 | H232 | 116.0° | 120.0° |
C22 | C23 | C24 | H231 | 115.9° | 120.0° |
C22 | C23 | C24 | C25 | 134.9° | 175.0° |
C22 | C23 | C24 | C27 | 10.0° | 65.0° |
C23 | C22 | O28 | C29 | 119.9° | 118.7° |
C23 | C22 | C21 | H211 | 7.5° | 0.0° |
C23 | C22 | C21 | H212 | 130.0° | 122.8° |
C22 | C23 | H232 | H231 | 130.7° | 120.1° |
C22 | C23 | C24 | H241 | 106.8° | 55.0° |
O28 | C22 | C23 | C24 | 98.9° | 70.4° |
C22 | O28 | C29 | N20 | 3.2° | 0.1° |
C22 | O28 | C29 | O30 | 176.6° | 180.0° |
O28 | C22 | C21 | H211 | 136.2° | 118.6° |
O28 | C22 | C21 | H212 | 101.4° | 118.6° |
O28 | C22 | C23 | H232 | 145.2° | 169.6° |
O28 | C22 | C23 | H231 | 17.1° | 49.6° |
C23 | C24 | C25 | C27 | 116.6° | 120.0° |
C23 | C24 | C25 | H241 | 119.9° | 120.0° |
C23 | C24 | C27 | H241 | 116.9° | 120.0° |
C23 | C24 | C25 | N26 | 168.9° | 175.0° |
C24 | C23 | C22 | H1 | 15.5° | 52.3° |
C24 | C23 | H232 | H231 | 130.7° | 119.9° |
C23 | C24 | C25 | H251 | 71.3° | 65.0° |
C23 | C24 | C25 | H252 | 49.0° | 55.0° |
C23 | C24 | C27 | H271 | 180.0° | 60.0° |
C23 | C24 | C27 | H272 | 60.0° | 179.9° |
C23 | C24 | C27 | H2 | 60.0° | 60.0° |
C25 | C24 | C27 | H241 | 122.3° | 120.0° |
C24 | C25 | N26 | H251 | 119.8° | 120.1° |
C24 | C25 | N26 | H252 | 119.9° | 120.0° |
C25 | C24 | C23 | H232 | 18.9° | 65.0° |
C25 | C24 | C23 | H231 | 109.2° | 55.0° |
C24 | C25 | H251 | H252 | 120.5° | 120.0° |
C25 | C24 | C27 | H271 | 59.2° | 59.9° |
C25 | C24 | C27 | H272 | 179.2° | 60.0° |
C25 | C24 | C27 | H2 | 60.8° | 180.0° |
C24 | C25 | N26 | H262 | 180.0° | 56.1° |
C24 | C25 | N26 | H3 | 60.0° | 180.0° |
C27 | C24 | C25 | N26 | 74.5° | 65.1° |
C27 | C24 | C23 | H232 | 106.0° | 55.0° |
C27 | C24 | C23 | H231 | 125.9° | 175.0° |
C27 | C24 | C25 | H251 | 45.4° | 55.0° |
C27 | C24 | C25 | H252 | 165.7° | 175.0° |
C24 | C27 | H271 | H272 | 120.0° | 119.9° |
C24 | C27 | H271 | H2 | 120.0° | 120.0° |
C24 | C27 | H272 | H2 | 120.0° | 120.0° |
N26 | C25 | C24 | H241 | 49.0° | 54.9° |
N26 | C25 | H251 | H252 | 120.5° | 119.9° |
C25 | N26 | H262 | H3 | 120.0° | 123.9° |
N20 | C29 | O28 | O30 | 179.8° | 180.0° |
C29 | N20 | C02 | H021 | 28.5° | 178.2° |
C29 | N20 | C21 | H211 | 134.7° | 118.6° |
C29 | N20 | C21 | H212 | 102.9° | 118.5° |
C29 | O28 | C22 | H1 | 127.2° | 118.7° |
N12 | N11 | C10 | H101 | 176.1° | 179.7° |
N11 | N12 | C13 | H131 | 178.9° | 180.0° |
H131 | C13 | N12 | H121 | 1.1° | 0.1° |
H011 | C01 | H013 | H012 | 120.0° | 120.0° |
H011 | C01 | C02 | H021 | 61.1° | 60.0° |
H013 | C01 | C02 | H021 | 178.9° | 60.0° |
H012 | C01 | C02 | H021 | 58.9° | 179.9° |
H041 | C04 | C05 | H051 | 0.2° | 0.0° |
H051 | C05 | C06 | H061 | 1.3° | 0.0° |
H211 | C21 | C22 | H1 | 109.6° | 122.7° |
H212 | C21 | C22 | H1 | 12.8° | 0.1° |
H1 | C22 | C23 | H232 | 100.4° | 67.7° |
H1 | C22 | C23 | H231 | 131.5° | 172.3° |
H232 | C23 | C24 | H241 | 137.3° | 175.0° |
H231 | C23 | C24 | H241 | 9.2° | 65.0° |
H241 | C24 | C25 | H251 | 168.9° | 175.0° |
H241 | C24 | C25 | H252 | 70.8° | 65.0° |
H241 | C24 | C27 | H271 | 63.1° | 180.0° |
H241 | C24 | C27 | H272 | 56.9° | 60.0° |
H241 | C24 | C27 | H2 | 176.9° | 60.0° |
H251 | C25 | N26 | H262 | 60.2° | 64.0° |
H251 | C25 | N26 | H3 | 179.8° | 59.9° |
H252 | C25 | N26 | H262 | 60.1° | 176.0° |
H252 | C25 | N26 | H3 | 59.9° | 60.1° |
H271 | C27 | H272 | H2 | 120.0° | 120.0° |