7FX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O21 | C17 | sing | 1.36Å | 1.36Å | |
C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C07 | C06 | sing | 1.40Å | 1.33Å | Aromatic |
C07 | N09 | doub | 1.31Å | 1.32Å | Aromatic |
C06 | C03 | doub | 1.35Å | 1.34Å | Aromatic |
C19 | O20 | sing | 1.36Å | 1.36Å | |
C19 | C14 | doub | 1.40Å | 1.35Å | Aromatic |
N09 | N13 | sing | 1.39Å | 1.34Å | Aromatic |
C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
C14 | C22 | sing | 1.47Å | 1.41Å | |
C03 | N13 | sing | 1.37Å | 1.32Å | Aromatic |
C03 | N08 | sing | 1.40Å | 1.35Å | |
N13 | C02 | sing | 1.46Å | 1.47Å | |
F11 | C04 | sing | 1.40Å | 1.33Å | |
C22 | N08 | sing | 1.35Å | 1.33Å | |
C22 | O23 | doub | 1.22Å | 1.23Å | |
N08 | C01 | sing | 1.48Å | 1.49Å | |
C02 | C04 | sing | 1.53Å | 1.53Å | |
C02 | C05 | sing | 1.53Å | 1.53Å | |
C04 | F10 | sing | 1.40Å | 1.33Å | |
C04 | F12 | sing | 1.40Å | 1.33Å | |
C01 | C05 | sing | 1.53Å | 1.52Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C05 | H4 | sing | 1.09Å | 1.10Å | |
C05 | H5 | sing | 1.09Å | 1.10Å | |
C06 | H6 | sing | 1.08Å | 1.08Å | |
C07 | H7 | sing | 1.08Å | 1.08Å | |
C15 | H8 | sing | 1.08Å | 1.08Å | |
C16 | H9 | sing | 1.08Å | 1.08Å | |
C18 | H10 | sing | 1.08Å | 1.08Å | |
O20 | H11 | sing | 0.97Å | 0.95Å | |
O21 | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O21 | C17 | C18 | 120.2° | 119.9° |
O21 | C17 | C16 | 120.3° | 119.8° |
C17 | O21 | H12 | 109.5° | 114.0° |
C18 | C17 | C16 | 119.5° | 120.3° |
C17 | C18 | C19 | 120.6° | 120.0° |
C17 | C18 | H10 | 119.7° | 119.9° |
C17 | C16 | C15 | 118.9° | 120.2° |
C17 | C16 | H9 | 120.5° | 119.9° |
C18 | C19 | O20 | 123.2° | 120.1° |
C18 | C19 | C14 | 119.5° | 119.8° |
C19 | C18 | H10 | 119.7° | 120.0° |
C16 | C15 | C14 | 121.0° | 120.0° |
C16 | C15 | H8 | 119.5° | 120.0° |
C15 | C16 | H9 | 120.6° | 119.9° |
C06 | C07 | N09 | 107.2° | 108.5° |
C07 | C06 | C03 | 109.9° | 107.6° |
C07 | C06 | H6 | 125.0° | 126.2° |
C06 | C07 | H7 | 126.4° | 125.7° |
C07 | N09 | N13 | 107.3° | 108.3° |
N09 | C07 | H7 | 126.4° | 125.8° |
C06 | C03 | N13 | 105.6° | 107.9° |
C06 | C03 | N08 | 134.5° | 129.7° |
C03 | C06 | H6 | 125.1° | 126.2° |
O20 | C19 | C14 | 117.3° | 120.1° |
C19 | O20 | H11 | 109.5° | 113.9° |
C19 | C14 | C15 | 120.6° | 119.7° |
C19 | C14 | C22 | 121.6° | 120.2° |
N09 | N13 | C03 | 109.8° | 107.6° |
N09 | N13 | C02 | 123.9° | 128.7° |
C15 | C14 | C22 | 117.9° | 120.1° |
C14 | C15 | H8 | 119.5° | 120.0° |
C14 | C22 | N08 | 119.1° | 120.0° |
C14 | C22 | O23 | 122.2° | 120.0° |
N13 | C03 | N08 | 119.6° | 122.4° |
C03 | N13 | C02 | 126.1° | 123.7° |
C03 | N08 | C22 | 123.3° | 122.0° |
C03 | N08 | C01 | 118.2° | 116.0° |
N13 | C02 | C04 | 109.5° | 109.5° |
N13 | C02 | C05 | 113.1° | 108.9° |
N13 | C02 | H3 | 108.7° | 109.7° |
F11 | C04 | C02 | 109.5° | 109.5° |
F11 | C04 | F10 | 109.5° | 109.5° |
F11 | C04 | F12 | 109.4° | 109.5° |
N08 | C22 | O23 | 118.6° | 120.0° |
C22 | N08 | C01 | 117.7° | 122.0° |
N08 | C01 | C05 | 109.6° | 108.5° |
N08 | C01 | H1 | 109.4° | 109.6° |
N08 | C01 | H2 | 109.4° | 109.8° |
C04 | C02 | C05 | 109.5° | 109.6° |
C02 | C04 | F10 | 109.5° | 109.5° |
C02 | C04 | F12 | 109.5° | 109.5° |
C04 | C02 | H3 | 107.9° | 109.6° |
C02 | C05 | C01 | 111.2° | 109.9° |
C05 | C02 | H3 | 108.0° | 109.6° |
C02 | C05 | H4 | 109.0° | 109.4° |
C02 | C05 | H5 | 109.0° | 109.4° |
F10 | C04 | F12 | 109.4° | 109.4° |
C05 | C01 | H1 | 109.5° | 109.6° |
C05 | C01 | H2 | 109.5° | 109.7° |
C01 | C05 | H4 | 109.0° | 109.4° |
C01 | C05 | H5 | 109.0° | 109.4° |
H1 | C01 | H2 | 109.5° | 109.6° |
H4 | C05 | H5 | 109.5° | 109.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O21 | C17 | C18 | C16 | 180.0° | 179.7° |
O21 | C17 | C18 | C19 | 180.0° | 180.0° |
O21 | C17 | C16 | C15 | 180.0° | 179.7° |
O21 | C17 | C16 | H9 | 0.0° | 0.3° |
O21 | C17 | C18 | H10 | 0.0° | 0.2° |
C17 | C18 | C19 | H10 | 180.0° | 179.8° |
C18 | C17 | C16 | C15 | 0.0° | 0.0° |
C17 | C18 | C19 | O20 | 180.0° | 180.0° |
C17 | C18 | C19 | C14 | 0.1° | 0.5° |
C18 | C17 | C16 | H9 | 180.0° | 180.0° |
C18 | C17 | O21 | H12 | 180.0° | 90.0° |
C16 | C17 | C18 | C19 | 0.0° | 0.2° |
C17 | C16 | C15 | H9 | 180.0° | 180.0° |
C17 | C16 | C15 | C14 | 0.0° | 0.0° |
C17 | C16 | C15 | H8 | 180.0° | 180.0° |
C16 | C17 | C18 | H10 | 180.0° | 180.0° |
C16 | C17 | O21 | H12 | 0.0° | 89.7° |
C18 | C19 | O20 | C14 | 180.0° | 179.5° |
C18 | C19 | C14 | C15 | 0.1° | 0.5° |
C18 | C19 | C14 | C22 | 180.0° | 179.7° |
C18 | C19 | O20 | H11 | 161.4° | 90.0° |
C16 | C15 | C14 | C19 | 0.1° | 0.3° |
C16 | C15 | C14 | H8 | 180.0° | 179.9° |
C16 | C15 | C14 | C22 | 180.0° | 180.0° |
C06 | C07 | N09 | H7 | 180.0° | 180.0° |
C07 | C06 | C03 | H6 | 180.0° | 179.9° |
C06 | C07 | N09 | N13 | 2.4° | 0.0° |
C07 | C06 | C03 | N13 | 3.3° | 0.1° |
C07 | C06 | C03 | N08 | 177.2° | 179.8° |
N09 | C07 | C06 | C03 | 3.6° | 0.0° |
C07 | N09 | N13 | C03 | 0.4° | 0.1° |
C07 | N09 | N13 | C02 | 177.3° | 179.8° |
N09 | C07 | C06 | H6 | 176.4° | 180.0° |
C06 | C03 | N13 | N09 | 1.8° | 0.1° |
C06 | C03 | N13 | N08 | 175.0° | 179.9° |
C06 | C03 | N13 | C02 | 175.1° | 179.8° |
C06 | C03 | N08 | C22 | 19.2° | 12.6° |
C06 | C03 | N08 | C01 | 150.3° | 167.4° |
C03 | C06 | C07 | H7 | 176.4° | 180.0° |
O20 | C19 | C14 | C15 | 180.0° | 180.0° |
O20 | C19 | C14 | C22 | 0.1° | 0.3° |
O20 | C19 | C18 | H10 | 0.0° | 0.2° |
C19 | C14 | C15 | C22 | 179.9° | 179.7° |
C19 | C14 | C22 | N08 | 123.6° | 130.6° |
C19 | C14 | C22 | O23 | 60.6° | 49.3° |
C19 | C14 | C15 | H8 | 180.0° | 179.8° |
C14 | C19 | C18 | H10 | 180.0° | 179.7° |
C14 | C19 | O20 | H11 | 18.6° | 90.5° |
N09 | N13 | C03 | C02 | 176.9° | 179.9° |
N09 | N13 | C03 | N08 | 176.8° | 179.8° |
N09 | N13 | C02 | C04 | 59.5° | 40.8° |
N09 | N13 | C02 | C05 | 178.1° | 160.6° |
N09 | N13 | C02 | H3 | 58.2° | 79.5° |
N13 | N09 | C07 | H7 | 177.6° | 179.9° |
C15 | C14 | C22 | N08 | 56.6° | 49.7° |
C15 | C14 | C22 | O23 | 119.2° | 130.4° |
C14 | C15 | C16 | H9 | 180.0° | 180.0° |
C14 | C22 | N08 | C03 | 13.4° | 175.1° |
C14 | C22 | N08 | O23 | 175.9° | 179.9° |
C14 | C22 | N08 | C01 | 177.0° | 4.9° |
C22 | C14 | C15 | H8 | 0.1° | 0.1° |
N13 | C03 | N08 | C22 | 167.5° | 167.5° |
N13 | C03 | N08 | C01 | 22.9° | 12.5° |
C03 | N13 | C02 | C04 | 117.0° | 139.1° |
C03 | N13 | C02 | C05 | 5.4° | 19.3° |
C03 | N13 | C02 | H3 | 125.3° | 100.6° |
N13 | C03 | C06 | H6 | 176.7° | 180.0° |
N08 | C03 | N13 | C02 | 0.1° | 0.3° |
C03 | N08 | C22 | C01 | 169.6° | 180.0° |
C03 | N08 | C22 | O23 | 170.7° | 4.8° |
C03 | N08 | C01 | C05 | 49.0° | 43.3° |
C03 | N08 | C01 | H1 | 169.0° | 163.0° |
C03 | N08 | C01 | H2 | 71.0° | 76.5° |
N08 | C03 | C06 | H6 | 2.8° | 0.1° |
N13 | C02 | C04 | F11 | 53.4° | 60.6° |
N13 | C02 | C04 | C05 | 124.5° | 119.4° |
N13 | C02 | C04 | H3 | 118.2° | 120.4° |
N13 | C02 | C05 | H3 | 120.3° | 120.0° |
N13 | C02 | C04 | F10 | 66.6° | 59.5° |
N13 | C02 | C04 | F12 | 173.4° | 179.4° |
N13 | C02 | C05 | C01 | 31.6° | 50.0° |
N13 | C02 | C05 | H4 | 151.9° | 170.1° |
N13 | C02 | C05 | H5 | 88.6° | 70.2° |
F11 | C04 | C02 | F10 | 120.0° | 120.1° |
F11 | C04 | C02 | F12 | 120.0° | 120.0° |
F11 | C04 | C02 | C05 | 177.9° | 180.0° |
F11 | C04 | F10 | F12 | 120.0° | 120.0° |
F11 | C04 | C02 | H3 | 64.8° | 59.8° |
C22 | N08 | C01 | C05 | 140.9° | 136.7° |
C22 | N08 | C01 | H1 | 20.8° | 17.0° |
C22 | N08 | C01 | H2 | 99.1° | 103.5° |
O23 | C22 | N08 | C01 | 1.1° | 175.1° |
N08 | C01 | C05 | C02 | 51.4° | 63.0° |
N08 | C01 | C05 | H1 | 120.0° | 119.6° |
N08 | C01 | C05 | H2 | 120.0° | 119.9° |
N08 | C01 | H1 | H2 | 119.9° | 120.5° |
N08 | C01 | C05 | H4 | 171.7° | 176.9° |
N08 | C01 | C05 | H5 | 68.8° | 57.1° |
C04 | C02 | C05 | H3 | 117.3° | 120.2° |
C02 | C04 | F10 | F12 | 120.0° | 120.0° |
C04 | C02 | C05 | C01 | 90.8° | 169.8° |
C04 | C02 | C05 | H4 | 29.5° | 70.2° |
C04 | C02 | C05 | H5 | 148.9° | 49.6° |
C05 | C02 | C04 | F10 | 57.9° | 59.9° |
C05 | C02 | C04 | F12 | 62.1° | 60.0° |
C02 | C05 | C01 | H4 | 120.3° | 120.1° |
C02 | C05 | C01 | H5 | 120.3° | 120.2° |
C02 | C05 | C01 | H1 | 171.4° | 177.3° |
C02 | C05 | C01 | H2 | 68.6° | 56.9° |
C02 | C05 | H4 | H5 | 119.2° | 119.8° |
F10 | C04 | C02 | H3 | 175.2° | 179.8° |
F12 | C04 | C02 | H3 | 55.2° | 60.2° |
C05 | C01 | H1 | H2 | 120.0° | 120.5° |
C01 | C05 | C02 | H3 | 151.9° | 70.0° |
C01 | C05 | H4 | H5 | 119.2° | 119.8° |
H1 | C01 | C05 | H4 | 68.3° | 57.2° |
H1 | C01 | C05 | H5 | 51.2° | 62.5° |
H2 | C01 | C05 | H4 | 51.7° | 63.2° |
H2 | C01 | C05 | H5 | 171.2° | 177.1° |
H3 | C02 | C05 | H4 | 87.8° | 50.1° |
H3 | C02 | C05 | H5 | 31.7° | 169.8° |
H6 | C06 | C07 | H7 | 3.6° | 0.1° |
H8 | C15 | C16 | H9 | 0.0° | 0.0° |