FW9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.42Å | |
| O02 | C03 | sing | 1.36Å | 1.38Å | |
| C08 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C09 | sing | 1.48Å | 1.50Å | |
| C09 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | N10 | sing | 1.33Å | 1.36Å | Aromatic |
| C26 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| N10 | C11 | doub | 1.32Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.39Å | 1.41Å | |
| C14 | N13 | doub | 1.33Å | 1.37Å | Aromatic |
| C11 | N13 | sing | 1.32Å | 1.38Å | Aromatic |
| C11 | N12 | sing | 1.38Å | 1.38Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | O23 | sing | 1.36Å | 1.40Å | |
| C24 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| O23 | C22 | sing | 1.44Å | 1.43Å | |
| C20 | C19 | sing | 1.39Å | 1.36Å | Aromatic |
| C20 | O21 | sing | 1.36Å | 1.39Å | |
| C22 | O21 | sing | 1.44Å | 1.44Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| N12 | H122 | sing | 0.97Å | 1.00Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | 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 | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 119.9° | 117.0° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.5° | 109.4° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C03 | C08 | 122.2° | 120.0° |
| O02 | C03 | C04 | 116.9° | 120.0° |
| C03 | C08 | C07 | 117.3° | 120.2° |
| C08 | C03 | C04 | 120.9° | 120.0° |
| C03 | C08 | H081 | 121.4° | 120.0° |
| C08 | C07 | C06 | 121.8° | 120.2° |
| C08 | C07 | H071 | 119.1° | 120.0° |
| C07 | C08 | H081 | 121.4° | 119.9° |
| C03 | C04 | C05 | 122.3° | 119.8° |
| C03 | C04 | H041 | 118.8° | 120.1° |
| C07 | C06 | C05 | 121.2° | 120.0° |
| C07 | C06 | H061 | 119.4° | 120.0° |
| C06 | C07 | H071 | 119.1° | 119.9° |
| C04 | C05 | C06 | 116.5° | 119.8° |
| C04 | C05 | C09 | 120.7° | 120.1° |
| C05 | C04 | H041 | 118.8° | 120.1° |
| C06 | C05 | C09 | 122.9° | 120.1° |
| C05 | C06 | H061 | 119.4° | 120.0° |
| C05 | C09 | C26 | 123.4° | 120.5° |
| C05 | C09 | N10 | 115.3° | 120.5° |
| C26 | C09 | N10 | 121.2° | 119.1° |
| C09 | C26 | C14 | 119.4° | 118.4° |
| C09 | C26 | H261 | 120.3° | 120.8° |
| C09 | N10 | C11 | 115.5° | 120.8° |
| C26 | C14 | N15 | 120.1° | 120.5° |
| C26 | C14 | N13 | 121.3° | 119.1° |
| C14 | C26 | H261 | 120.3° | 120.8° |
| N10 | C11 | N13 | 127.9° | 121.7° |
| N10 | C11 | N12 | 116.7° | 119.1° |
| N15 | C14 | N13 | 118.6° | 120.4° |
| C14 | N15 | C16 | 124.1° | 120.0° |
| C14 | N15 | H151 | 105.7° | 120.0° |
| C14 | N13 | C11 | 114.6° | 120.9° |
| N13 | C11 | N12 | 115.3° | 119.1° |
| C11 | N12 | H121 | 109.5° | 120.0° |
| C11 | N12 | H122 | 109.5° | 120.0° |
| N15 | C16 | C17 | 114.3° | 109.4° |
| N15 | C16 | H161 | 108.2° | 109.5° |
| N15 | C16 | H162 | 108.3° | 109.5° |
| C16 | N15 | H151 | 105.7° | 120.0° |
| C16 | C17 | C25 | 120.1° | 119.9° |
| C16 | C17 | C18 | 121.5° | 119.9° |
| C17 | C16 | H161 | 108.3° | 109.5° |
| C17 | C16 | H162 | 108.3° | 109.5° |
| C25 | C17 | C18 | 118.4° | 120.2° |
| C17 | C25 | C24 | 117.7° | 120.0° |
| C17 | C25 | H251 | 121.1° | 120.0° |
| C17 | C18 | C19 | 123.8° | 120.2° |
| C17 | C18 | H181 | 118.1° | 119.9° |
| C25 | C24 | O23 | 127.9° | 131.6° |
| C25 | C24 | C20 | 122.7° | 119.8° |
| C24 | C25 | H251 | 121.1° | 120.0° |
| O23 | C24 | C20 | 109.4° | 108.6° |
| C24 | O23 | C22 | 104.8° | 105.5° |
| C24 | C20 | C19 | 121.5° | 119.8° |
| C24 | C20 | O21 | 109.5° | 108.7° |
| C18 | C19 | C20 | 115.8° | 120.0° |
| C19 | C18 | H181 | 118.1° | 119.9° |
| C18 | C19 | H191 | 122.1° | 120.0° |
| O23 | C22 | O21 | 109.2° | 103.7° |
| O23 | C22 | H221 | 109.5° | 110.5° |
| O23 | C22 | H222 | 109.5° | 110.7° |
| C19 | C20 | O21 | 128.9° | 131.5° |
| C20 | C19 | H191 | 122.1° | 120.0° |
| C20 | O21 | C22 | 105.0° | 105.5° |
| O21 | C22 | H221 | 109.6° | 110.6° |
| O21 | C22 | H222 | 109.5° | 110.6° |
| H121 | N12 | H122 | 109.5° | 119.9° |
| H221 | C22 | H222 | 109.5° | 110.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C08 | 9.7° | 0.2° |
| C01 | O02 | C03 | C04 | 169.4° | 179.9° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C03 | C08 | C04 | 179.1° | 179.8° |
| O02 | C03 | C08 | C07 | 178.9° | 179.8° |
| O02 | C03 | C04 | C05 | 178.9° | 179.7° |
| C03 | O02 | C01 | H011 | 180.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| C03 | O02 | C01 | H012 | 60.0° | 180.0° |
| O02 | C03 | C04 | H041 | 1.1° | 0.2° |
| O02 | C03 | C08 | H081 | 1.1° | 0.2° |
| C03 | C08 | C07 | H081 | 180.0° | 180.0° |
| C03 | C08 | C07 | C06 | 0.2° | 0.0° |
| C08 | C03 | C04 | C05 | 0.2° | 0.1° |
| C08 | C03 | C04 | H041 | 179.8° | 180.0° |
| C03 | C08 | C07 | H071 | 179.8° | 179.9° |
| C07 | C08 | C03 | C04 | 0.2° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.1° | 0.0° |
| C08 | C07 | C06 | H061 | 179.9° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C03 | C04 | C05 | C09 | 179.9° | 180.0° |
| C04 | C03 | C08 | H081 | 179.8° | 180.0° |
| C07 | C06 | C05 | C04 | 0.1° | 0.0° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C09 | 179.9° | 180.0° |
| C06 | C07 | C08 | H081 | 179.8° | 180.0° |
| C04 | C05 | C06 | C09 | 179.7° | 179.9° |
| C04 | C05 | C09 | C26 | 151.2° | 180.0° |
| C04 | C05 | C09 | N10 | 28.8° | 0.1° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C06 | C05 | C09 | C26 | 29.1° | 0.0° |
| C06 | C05 | C09 | N10 | 150.9° | 180.0° |
| C06 | C05 | C04 | H041 | 179.9° | 180.0° |
| C05 | C06 | C07 | H071 | 179.9° | 179.9° |
| C05 | C09 | C26 | N10 | 180.0° | 180.0° |
| C05 | C09 | C26 | C14 | 179.9° | 180.0° |
| C05 | C09 | N10 | C11 | 179.7° | 180.0° |
| C05 | C09 | C26 | H261 | 0.1° | 0.3° |
| C09 | C05 | C04 | H041 | 0.1° | 0.1° |
| C09 | C05 | C06 | H061 | 0.1° | 0.0° |
| C09 | C26 | C14 | H261 | 180.0° | 179.7° |
| C26 | C09 | N10 | C11 | 0.3° | 0.0° |
| C09 | C26 | C14 | N15 | 179.2° | 179.7° |
| C09 | C26 | C14 | N13 | 0.3° | 0.3° |
| N10 | C09 | C26 | C14 | 0.1° | 0.0° |
| C09 | N10 | C11 | N13 | 0.1° | 0.3° |
| C09 | N10 | C11 | N12 | 179.8° | 179.7° |
| N10 | C09 | C26 | H261 | 179.9° | 179.7° |
| C26 | C14 | N15 | N13 | 178.9° | 180.0° |
| C26 | C14 | N13 | C11 | 0.5° | 0.6° |
| C26 | C14 | N15 | C16 | 179.8° | 0.0° |
| C26 | C14 | N15 | H151 | 57.8° | 180.0° |
| N10 | C11 | N13 | C14 | 0.3° | 0.6° |
| N10 | C11 | N13 | N12 | 179.7° | 179.4° |
| N10 | C11 | N12 | H121 | 0.0° | 179.4° |
| N10 | C11 | N12 | H122 | 120.0° | 0.3° |
| N15 | C14 | N13 | C11 | 179.4° | 179.4° |
| C14 | N15 | C16 | H151 | 122.0° | 180.0° |
| C14 | N15 | C16 | C17 | 85.2° | 180.0° |
| N15 | C14 | C26 | H261 | 0.8° | 0.0° |
| C14 | N15 | C16 | H161 | 154.1° | 60.0° |
| C14 | N15 | C16 | H162 | 35.5° | 60.0° |
| C14 | N13 | C11 | N12 | 179.5° | 180.0° |
| N13 | C14 | N15 | C16 | 1.3° | 180.0° |
| N13 | C14 | C26 | H261 | 179.7° | 180.0° |
| N13 | C14 | N15 | H151 | 123.3° | 0.0° |
| N13 | C11 | N12 | H121 | 179.8° | 0.0° |
| N13 | C11 | N12 | H122 | 59.7° | 179.7° |
| C11 | N12 | H121 | H122 | 120.0° | 179.7° |
| N15 | C16 | C17 | H161 | 120.7° | 120.0° |
| N15 | C16 | C17 | H162 | 120.7° | 120.0° |
| N15 | C16 | C17 | C25 | 64.4° | 90.0° |
| N15 | C16 | C17 | C18 | 116.1° | 89.7° |
| N15 | C16 | H161 | H162 | 117.8° | 120.0° |
| C16 | C17 | C25 | C18 | 179.6° | 179.8° |
| C16 | C17 | C25 | C24 | 179.7° | 179.7° |
| C16 | C17 | C18 | C19 | 179.6° | 179.8° |
| C17 | C16 | H161 | H162 | 117.8° | 120.0° |
| C16 | C17 | C18 | H181 | 0.4° | 0.3° |
| C16 | C17 | C25 | H251 | 0.3° | 0.3° |
| C17 | C16 | N15 | H151 | 36.8° | 0.0° |
| C17 | C25 | C24 | H251 | 180.0° | 180.0° |
| C17 | C25 | C24 | O23 | 179.3° | 180.0° |
| C17 | C25 | C24 | C20 | 0.3° | 0.0° |
| C25 | C17 | C18 | C19 | 0.0° | 0.0° |
| C25 | C17 | C16 | H161 | 56.3° | 150.0° |
| C25 | C17 | C16 | H162 | 174.9° | 30.0° |
| C25 | C17 | C18 | H181 | 180.0° | 179.9° |
| C18 | C17 | C25 | C24 | 0.1° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C16 | H161 | 123.2° | 30.2° |
| C18 | C17 | C16 | H162 | 4.7° | 150.3° |
| C17 | C18 | C19 | H191 | 179.8° | 180.0° |
| C18 | C17 | C25 | H251 | 179.9° | 180.0° |
| C25 | C24 | O23 | C20 | 179.7° | 180.0° |
| C25 | C24 | O23 | C22 | 170.9° | 162.8° |
| C25 | C24 | C20 | C19 | 0.5° | 0.1° |
| C25 | C24 | C20 | O21 | 179.5° | 180.0° |
| O23 | C24 | C20 | C19 | 179.3° | 180.0° |
| O23 | C24 | C20 | O21 | 0.2° | 0.0° |
| C24 | O23 | C22 | O21 | 14.2° | 27.1° |
| C24 | O23 | C22 | H221 | 105.8° | 91.4° |
| C24 | O23 | C22 | H222 | 134.1° | 145.7° |
| O23 | C24 | C25 | H251 | 0.7° | 0.0° |
| C24 | C20 | C19 | C18 | 0.4° | 0.1° |
| C20 | C24 | O23 | C22 | 8.8° | 17.3° |
| C24 | C20 | C19 | O21 | 178.8° | 179.9° |
| C24 | C20 | O21 | C22 | 8.4° | 17.2° |
| C24 | C20 | C19 | H191 | 179.6° | 180.0° |
| C20 | C24 | C25 | H251 | 179.6° | 180.0° |
| C18 | C19 | C20 | H191 | 180.0° | 179.9° |
| C18 | C19 | C20 | O21 | 179.2° | 180.0° |
| O23 | C22 | O21 | C20 | 14.1° | 27.1° |
| O23 | C22 | O21 | H221 | 120.0° | 118.5° |
| O23 | C22 | O21 | H222 | 119.9° | 118.7° |
| O23 | C22 | H221 | H222 | 120.1° | 123.0° |
| C19 | C20 | O21 | C22 | 170.5° | 162.7° |
| C20 | C19 | C18 | H181 | 179.9° | 180.0° |
| C20 | O21 | C22 | H221 | 105.9° | 91.5° |
| C20 | O21 | C22 | H222 | 134.0° | 145.8° |
| O21 | C20 | C19 | H191 | 0.8° | 0.1° |
| O21 | C22 | H221 | H222 | 120.1° | 122.7° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 0.2° | 0.1° |
| H071 | C07 | C08 | H081 | 0.2° | 0.0° |
| H161 | C16 | N15 | H151 | 83.9° | 119.9° |
| H162 | C16 | N15 | H151 | 157.5° | 120.0° |
| H181 | C18 | C19 | H191 | 0.2° | 0.1° |
