F8M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O18 | C17 | doub | 1.22Å | 1.24Å | |
N15 | C14 | sing | 1.38Å | 1.39Å | |
C17 | O19 | sing | 1.35Å | 1.24Å | |
C17 | C16 | sing | 1.47Å | 1.56Å | |
C14 | C16 | doub | 1.41Å | 1.43Å | Aromatic |
C14 | N13 | sing | 1.32Å | 1.40Å | Aromatic |
C16 | C20 | sing | 1.40Å | 1.37Å | Aromatic |
N13 | C12 | doub | 1.33Å | 1.38Å | Aromatic |
C20 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
C12 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
C12 | O11 | sing | 1.35Å | 1.41Å | |
C21 | C22 | sing | 1.48Å | 1.46Å | |
O11 | C10 | sing | 1.35Å | 1.38Å | |
C10 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
C10 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
C22 | O23 | doub | 1.22Å | 1.23Å | |
C22 | C24 | sing | 1.48Å | 1.50Å | |
C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
C24 | C25 | doub | 1.39Å | 1.42Å | Aromatic |
C08 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
C25 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
C07 | C06 | sing | 1.51Å | 1.56Å | |
C06 | C05 | sing | 1.53Å | 1.58Å | |
C04 | C05 | sing | 1.53Å | 1.58Å | |
C04 | N02 | sing | 1.47Å | 1.53Å | |
C03 | N02 | sing | 1.47Å | 1.50Å | |
N02 | C01 | sing | 1.47Å | 1.49Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C05 | H10 | sing | 1.09Å | 1.10Å | |
C06 | H11 | sing | 1.09Å | 1.10Å | |
C06 | H12 | sing | 1.09Å | 1.10Å | |
C08 | H13 | sing | 1.08Å | 1.08Å | |
C09 | H14 | sing | 1.08Å | 1.08Å | |
C20 | H15 | sing | 1.08Å | 1.08Å | |
C25 | H16 | sing | 1.08Å | 1.08Å | |
N15 | H18 | sing | 0.97Å | 1.00Å | |
N15 | H19 | sing | 0.97Å | 1.00Å | |
O19 | H20 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O18 | C17 | O19 | 126.0° | 120.0° |
O18 | C17 | C16 | 116.7° | 120.0° |
N15 | C14 | C16 | 117.8° | 119.4° |
N15 | C14 | N13 | 118.7° | 119.4° |
C14 | N15 | H18 | 109.5° | 120.0° |
C14 | N15 | H19 | 109.5° | 120.0° |
O19 | C17 | C16 | 117.2° | 120.0° |
C17 | O19 | H20 | 109.5° | 117.0° |
C17 | C16 | C14 | 119.6° | 120.6° |
C17 | C16 | C20 | 124.0° | 120.6° |
C16 | C14 | N13 | 123.5° | 121.2° |
C14 | C16 | C20 | 116.4° | 118.8° |
C14 | N13 | C12 | 116.4° | 122.1° |
C16 | C20 | C21 | 123.2° | 118.0° |
C16 | C20 | H15 | 118.4° | 121.0° |
N13 | C12 | C21 | 124.5° | 119.7° |
N13 | C12 | O11 | 115.0° | 119.5° |
C20 | C21 | C12 | 116.0° | 120.3° |
C20 | C21 | C22 | 124.9° | 121.1° |
C21 | C20 | H15 | 118.4° | 121.0° |
C21 | C12 | O11 | 120.5° | 120.8° |
C12 | C21 | C22 | 119.1° | 118.6° |
C12 | O11 | C10 | 121.0° | 122.1° |
C21 | C22 | O23 | 121.7° | 122.1° |
C21 | C22 | C24 | 119.9° | 115.8° |
O11 | C10 | C09 | 120.0° | 120.0° |
O11 | C10 | C24 | 123.9° | 121.2° |
C09 | C10 | C24 | 116.2° | 118.8° |
C10 | C09 | C08 | 122.1° | 120.1° |
C10 | C09 | H14 | 118.9° | 119.9° |
C10 | C24 | C22 | 115.6° | 118.4° |
C10 | C24 | C25 | 120.3° | 120.6° |
O23 | C22 | C24 | 118.4° | 122.1° |
C22 | C24 | C25 | 124.1° | 121.0° |
C09 | C08 | C07 | 123.7° | 120.8° |
C09 | C08 | H13 | 118.2° | 119.6° |
C08 | C09 | H14 | 119.0° | 119.9° |
C24 | C25 | C07 | 124.4° | 119.5° |
C24 | C25 | H16 | 117.8° | 120.2° |
C08 | C07 | C25 | 113.4° | 120.1° |
C08 | C07 | C06 | 122.4° | 120.0° |
C07 | C08 | H13 | 118.1° | 119.6° |
C25 | C07 | C06 | 124.2° | 120.0° |
C07 | C25 | H16 | 117.8° | 120.2° |
C07 | C06 | C05 | 117.3° | 109.5° |
C07 | C06 | H11 | 107.5° | 109.5° |
C07 | C06 | H12 | 107.5° | 109.5° |
C06 | C05 | C04 | 117.3° | 109.5° |
C06 | C05 | H9 | 107.5° | 109.5° |
C06 | C05 | H10 | 107.5° | 109.5° |
C05 | C06 | H11 | 107.5° | 109.5° |
C05 | C06 | H12 | 107.5° | 109.4° |
C05 | C04 | N02 | 114.4° | 109.5° |
C05 | C04 | H7 | 108.2° | 109.5° |
C05 | C04 | H8 | 108.2° | 109.5° |
C04 | C05 | H9 | 107.5° | 109.5° |
C04 | C05 | H10 | 107.4° | 109.5° |
C04 | N02 | C03 | 112.2° | 111.0° |
C04 | N02 | C01 | 112.2° | 111.0° |
N02 | C04 | H7 | 108.2° | 109.4° |
N02 | C04 | H8 | 108.2° | 109.4° |
C03 | N02 | C01 | 107.3° | 111.0° |
N02 | C03 | H4 | 109.5° | 109.5° |
N02 | C03 | H5 | 109.5° | 109.5° |
N02 | C03 | H6 | 109.5° | 109.5° |
N02 | C01 | H1 | 109.5° | 109.5° |
N02 | C01 | H2 | 109.5° | 109.5° |
N02 | C01 | H3 | 109.5° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.4° |
H4 | C03 | H5 | 109.5° | 109.5° |
H4 | C03 | H6 | 109.4° | 109.4° |
H5 | C03 | H6 | 109.5° | 109.5° |
H7 | C04 | H8 | 109.5° | 109.5° |
H9 | C05 | H10 | 109.5° | 109.5° |
H11 | C06 | H12 | 109.4° | 109.5° |
H18 | N15 | H19 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O18 | C17 | O19 | C16 | 179.5° | 179.9° |
O18 | C17 | C16 | C14 | 4.1° | 5.8° |
O18 | C17 | C16 | C20 | 176.3° | 174.1° |
O18 | C17 | O19 | H20 | 0.0° | 0.1° |
N15 | C14 | C16 | C17 | 0.3° | 0.4° |
N15 | C14 | C16 | N13 | 179.9° | 180.0° |
N15 | C14 | C16 | C20 | 179.9° | 179.7° |
N15 | C14 | N13 | C12 | 179.9° | 179.9° |
C14 | N15 | H18 | H19 | 120.0° | 179.9° |
O19 | C17 | C16 | C14 | 175.4° | 174.1° |
O19 | C17 | C16 | C20 | 4.2° | 6.0° |
C17 | C16 | C14 | C20 | 179.6° | 179.9° |
C17 | C16 | C14 | N13 | 179.8° | 179.6° |
C17 | C16 | C20 | C21 | 179.8° | 179.9° |
C17 | C16 | C20 | H15 | 0.2° | 0.2° |
C16 | C17 | O19 | H20 | 179.5° | 180.0° |
C16 | C14 | N13 | C12 | 0.0° | 0.1° |
C14 | C16 | C20 | C21 | 0.2° | 0.0° |
C14 | C16 | C20 | H15 | 179.7° | 179.9° |
C16 | C14 | N15 | H18 | 179.9° | 5.4° |
C16 | C14 | N15 | H19 | 60.1° | 174.5° |
N13 | C14 | C16 | C20 | 0.2° | 0.3° |
C14 | N13 | C12 | C21 | 0.1° | 0.4° |
C14 | N13 | C12 | O11 | 179.9° | 179.3° |
N13 | C14 | N15 | H18 | 0.0° | 174.6° |
N13 | C14 | N15 | H19 | 120.0° | 5.5° |
C16 | C20 | C21 | H15 | 180.0° | 179.9° |
C16 | C20 | C21 | C12 | 0.1° | 0.5° |
C16 | C20 | C21 | C22 | 179.6° | 179.1° |
N13 | C12 | C21 | C20 | 0.1° | 0.7° |
N13 | C12 | C21 | O11 | 179.8° | 179.7° |
N13 | C12 | C21 | C22 | 179.9° | 178.9° |
N13 | C12 | O11 | C10 | 178.4° | 163.9° |
C20 | C21 | C12 | C22 | 179.7° | 179.6° |
C20 | C21 | C12 | O11 | 179.9° | 179.0° |
C20 | C21 | C22 | O23 | 1.0° | 12.9° |
C20 | C21 | C22 | C24 | 178.5° | 167.2° |
C21 | C12 | O11 | C10 | 1.8° | 16.4° |
C12 | C21 | C22 | O23 | 179.2° | 167.5° |
C12 | C21 | C22 | C24 | 1.2° | 12.4° |
C12 | C21 | C20 | H15 | 179.9° | 179.6° |
O11 | C12 | C21 | C22 | 0.4° | 1.4° |
C12 | O11 | C10 | C09 | 178.3° | 164.3° |
C12 | O11 | C10 | C24 | 1.7° | 16.1° |
C21 | C22 | C24 | C10 | 1.4° | 12.7° |
C21 | C22 | O23 | C24 | 179.5° | 180.0° |
C21 | C22 | C24 | C25 | 178.4° | 167.4° |
C22 | C21 | C20 | H15 | 0.4° | 0.8° |
O11 | C10 | C09 | C24 | 180.0° | 179.6° |
O11 | C10 | C24 | C22 | 0.1° | 0.9° |
O11 | C10 | C09 | C08 | 179.9° | 179.4° |
O11 | C10 | C24 | C25 | 179.9° | 179.0° |
O11 | C10 | C09 | H14 | 0.1° | 0.6° |
C09 | C10 | C24 | C22 | 179.9° | 179.6° |
C10 | C09 | C08 | H14 | 180.0° | 179.9° |
C09 | C10 | C24 | C25 | 0.1° | 0.5° |
C10 | C09 | C08 | C07 | 0.1° | 0.1° |
C10 | C09 | C08 | H13 | 179.9° | 180.0° |
C10 | C24 | C22 | O23 | 179.1° | 167.3° |
C10 | C24 | C22 | C25 | 179.8° | 179.9° |
C24 | C10 | C09 | C08 | 0.1° | 0.2° |
C10 | C24 | C25 | C07 | 0.1° | 0.7° |
C24 | C10 | C09 | H14 | 179.9° | 179.8° |
C10 | C24 | C25 | H16 | 179.8° | 179.8° |
O23 | C22 | C24 | C25 | 1.1° | 12.6° |
C22 | C24 | C25 | C07 | 179.9° | 179.3° |
C22 | C24 | C25 | H16 | 0.0° | 0.1° |
C09 | C08 | C07 | H13 | 180.0° | 179.9° |
C09 | C08 | C07 | C25 | 0.1° | 0.3° |
C09 | C08 | C07 | C06 | 179.8° | 180.0° |
C24 | C25 | C07 | C08 | 0.1° | 0.6° |
C24 | C25 | C07 | H16 | 180.0° | 179.5° |
C24 | C25 | C07 | C06 | 179.8° | 179.7° |
C08 | C07 | C25 | C06 | 179.7° | 179.6° |
C08 | C07 | C06 | C05 | 68.4° | 90.1° |
C08 | C07 | C06 | H11 | 170.5° | 30.0° |
C08 | C07 | C06 | H12 | 52.8° | 150.0° |
C07 | C08 | C09 | H14 | 179.9° | 179.9° |
C08 | C07 | C25 | H16 | 179.9° | 179.9° |
C25 | C07 | C06 | C05 | 111.3° | 90.3° |
C25 | C07 | C06 | H11 | 9.8° | 149.7° |
C25 | C07 | C06 | H12 | 127.5° | 29.7° |
C25 | C07 | C08 | H13 | 179.9° | 179.8° |
C07 | C06 | C05 | H11 | 121.1° | 120.0° |
C07 | C06 | C05 | H12 | 121.2° | 120.0° |
C07 | C06 | C05 | C04 | 59.3° | 180.0° |
C07 | C06 | C05 | H9 | 61.9° | 60.0° |
C07 | C06 | C05 | H10 | 179.6° | 60.0° |
C07 | C06 | H11 | H12 | 116.5° | 120.0° |
C06 | C07 | C08 | H13 | 0.2° | 0.2° |
C06 | C07 | C25 | H16 | 0.2° | 0.2° |
C06 | C05 | C04 | H9 | 121.1° | 120.0° |
C06 | C05 | C04 | H10 | 121.1° | 120.0° |
C06 | C05 | C04 | N02 | 136.2° | 180.0° |
C06 | C05 | C04 | H7 | 15.4° | 60.0° |
C06 | C05 | C04 | H8 | 103.1° | 60.0° |
C06 | C05 | H9 | H10 | 116.5° | 120.0° |
C05 | C06 | H11 | H12 | 116.4° | 120.0° |
C05 | C04 | N02 | H7 | 120.7° | 120.0° |
C05 | C04 | N02 | H8 | 120.7° | 120.0° |
C05 | C04 | N02 | C03 | 139.4° | 66.0° |
C05 | C04 | N02 | C01 | 18.5° | 170.0° |
C05 | C04 | H7 | H8 | 117.7° | 120.0° |
C04 | C05 | H9 | H10 | 116.4° | 120.0° |
C04 | C05 | C06 | H11 | 179.6° | 60.0° |
C04 | C05 | C06 | H12 | 61.9° | 60.0° |
C04 | N02 | C03 | C01 | 123.6° | 124.0° |
C04 | N02 | C01 | H1 | 180.0° | 180.0° |
C04 | N02 | C01 | H2 | 60.0° | 60.0° |
C04 | N02 | C01 | H3 | 60.0° | 60.0° |
C04 | N02 | C03 | H4 | 180.0° | 60.0° |
C04 | N02 | C03 | H5 | 60.0° | 180.0° |
C04 | N02 | C03 | H6 | 60.0° | 60.0° |
N02 | C04 | H7 | H8 | 117.8° | 120.0° |
N02 | C04 | C05 | H9 | 102.7° | 60.0° |
N02 | C04 | C05 | H10 | 15.0° | 60.0° |
C03 | N02 | C01 | H1 | 56.4° | 56.0° |
C03 | N02 | C01 | H2 | 63.6° | 176.1° |
C03 | N02 | C01 | H3 | 176.4° | 64.0° |
N02 | C03 | H4 | H5 | 120.0° | 120.0° |
N02 | C03 | H4 | H6 | 120.0° | 120.0° |
N02 | C03 | H5 | H6 | 120.0° | 120.0° |
C03 | N02 | C04 | H7 | 99.9° | 174.0° |
C03 | N02 | C04 | H8 | 18.7° | 54.0° |
N02 | C01 | H1 | H2 | 120.0° | 120.0° |
N02 | C01 | H1 | H3 | 120.0° | 120.0° |
N02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | N02 | C03 | H4 | 56.3° | 176.1° |
C01 | N02 | C03 | H5 | 176.4° | 56.1° |
C01 | N02 | C03 | H6 | 63.6° | 64.0° |
C01 | N02 | C04 | H7 | 139.2° | 50.0° |
C01 | N02 | C04 | H8 | 102.2° | 70.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C03 | H5 | H6 | 120.0° | 120.0° |
H7 | C04 | C05 | H9 | 136.6° | 60.0° |
H7 | C04 | C05 | H10 | 105.7° | 180.0° |
H8 | C04 | C05 | H9 | 18.0° | 180.0° |
H8 | C04 | C05 | H10 | 135.7° | 60.0° |
H9 | C05 | C06 | H11 | 59.3° | 180.0° |
H9 | C05 | C06 | H12 | 177.0° | 60.0° |
H10 | C05 | C06 | H11 | 58.5° | 60.0° |
H10 | C05 | C06 | H12 | 59.2° | 180.0° |
H13 | C08 | C09 | H14 | 0.1° | 0.1° |