F5W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | N04 | sing | 1.46Å | 1.46Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.54Å | 1.50Å | |
| C16 | C05 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.54Å | 1.51Å | |
| N04 | C05 | sing | 1.32Å | 1.38Å | Aromatic |
| N04 | C10 | doub | 1.32Å | 1.36Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C10 | C09 | sing | 1.38Å | 1.44Å | Aromatic |
| C06 | C14 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.54Å | 1.51Å | |
| C09 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C13 | sing | 1.51Å | 1.51Å | |
| C07 | N08 | sing | 1.39Å | 1.26Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| N08 | H11 | sing | 0.97Å | 1.00Å | |
| N08 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | N04 | 105.1° | 109.5° |
| C03 | C02 | C01 | 115.7° | 109.5° |
| C03 | C02 | H7 | 107.9° | 109.5° |
| C03 | C02 | H8 | 107.9° | 109.4° |
| C02 | C03 | H9 | 110.5° | 109.5° |
| C02 | C03 | H10 | 110.6° | 109.4° |
| C03 | N04 | C05 | 120.7° | 118.7° |
| C03 | N04 | C10 | 121.3° | 118.7° |
| N04 | C03 | H9 | 110.6° | 109.5° |
| N04 | C03 | H10 | 110.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C01 | C02 | H7 | 107.9° | 109.5° |
| C01 | C02 | H8 | 107.9° | 109.5° |
| C15 | C16 | C05 | 106.4° | 105.2° |
| C16 | C15 | C14 | 104.5° | 102.4° |
| C16 | C15 | H2 | 110.7° | 110.8° |
| C16 | C15 | H3 | 110.7° | 111.0° |
| C15 | C16 | H17 | 110.2° | 110.3° |
| C15 | C16 | H18 | 110.2° | 110.3° |
| C16 | C05 | N04 | 130.1° | 130.1° |
| C16 | C05 | C06 | 108.4° | 109.6° |
| C05 | C16 | H17 | 110.2° | 110.3° |
| C05 | C16 | H18 | 110.2° | 110.3° |
| C15 | C14 | C06 | 105.1° | 105.1° |
| C14 | C15 | H2 | 110.7° | 110.8° |
| C14 | C15 | H3 | 110.7° | 110.8° |
| C15 | C14 | H15 | 110.6° | 110.4° |
| C15 | C14 | H16 | 110.6° | 110.3° |
| C05 | N04 | C10 | 117.9° | 122.6° |
| N04 | C05 | C06 | 121.5° | 120.3° |
| N04 | C10 | C11 | 127.0° | 130.1° |
| N04 | C10 | C09 | 122.6° | 120.3° |
| C05 | C06 | C14 | 109.0° | 110.0° |
| C05 | C06 | C07 | 121.3° | 119.1° |
| C10 | C11 | C12 | 102.8° | 105.2° |
| C11 | C10 | C09 | 110.4° | 109.6° |
| C10 | C11 | H13 | 111.1° | 110.3° |
| C10 | C11 | H20 | 111.1° | 110.3° |
| C11 | C12 | C13 | 110.8° | 102.4° |
| C12 | C11 | H13 | 111.1° | 110.3° |
| C11 | C12 | H14 | 109.1° | 110.9° |
| C12 | C11 | H20 | 111.1° | 110.3° |
| C11 | C12 | H21 | 109.1° | 110.8° |
| C10 | C09 | C07 | 119.1° | 119.2° |
| C10 | C09 | C13 | 110.2° | 110.0° |
| C14 | C06 | C07 | 129.7° | 130.8° |
| C06 | C14 | H15 | 110.6° | 110.3° |
| C06 | C14 | H16 | 110.5° | 110.3° |
| C06 | C07 | C09 | 117.4° | 118.5° |
| C06 | C07 | N08 | 118.5° | 120.7° |
| C12 | C13 | C09 | 104.5° | 105.2° |
| C12 | C13 | H1 | 110.7° | 110.6° |
| C13 | C12 | H14 | 109.1° | 110.6° |
| C12 | C13 | H19 | 110.7° | 110.0° |
| C13 | C12 | H21 | 109.2° | 111.0° |
| C07 | C09 | C13 | 130.4° | 130.8° |
| C09 | C07 | N08 | 124.0° | 120.8° |
| C09 | C13 | H1 | 110.7° | 110.3° |
| C09 | C13 | H19 | 110.7° | 110.3° |
| C07 | N08 | H11 | 109.5° | 120.0° |
| C07 | N08 | H12 | 109.5° | 120.0° |
| H1 | C13 | H19 | 109.5° | 110.3° |
| H2 | C15 | H3 | 109.5° | 110.7° |
| H4 | C01 | H5 | 109.4° | 109.4° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.4° |
| H11 | N08 | H12 | 109.5° | 120.0° |
| H13 | C11 | H20 | 109.5° | 110.4° |
| H14 | C12 | H21 | 109.5° | 110.9° |
| H15 | C14 | H16 | 109.5° | 110.4° |
| H17 | C16 | H18 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | N04 | H9 | 119.3° | 120.0° |
| C02 | C03 | N04 | H10 | 119.3° | 120.0° |
| C03 | C02 | C01 | H7 | 120.9° | 120.0° |
| C03 | C02 | C01 | H8 | 120.9° | 120.0° |
| C02 | C03 | N04 | C05 | 81.1° | 90.0° |
| C02 | C03 | N04 | C10 | 99.4° | 90.0° |
| C03 | C02 | C01 | H4 | 180.0° | 60.0° |
| C03 | C02 | C01 | H5 | 60.0° | 180.0° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | H7 | H8 | 117.2° | 119.9° |
| C02 | C03 | H9 | H10 | 122.1° | 119.9° |
| N04 | C03 | C02 | C01 | 136.8° | 180.0° |
| C03 | N04 | C05 | C16 | 0.7° | 0.0° |
| C03 | N04 | C05 | C10 | 179.5° | 180.0° |
| C03 | N04 | C05 | C06 | 178.4° | 179.9° |
| C03 | N04 | C10 | C11 | 0.4° | 0.3° |
| C03 | N04 | C10 | C09 | 179.3° | 179.9° |
| N04 | C03 | C02 | H7 | 102.3° | 60.0° |
| N04 | C03 | C02 | H8 | 15.9° | 60.0° |
| N04 | C03 | H9 | H10 | 122.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | H7 | H8 | 117.2° | 120.0° |
| C01 | C02 | C03 | H9 | 103.9° | 60.0° |
| C01 | C02 | C03 | H10 | 17.5° | 60.0° |
| C15 | C16 | C05 | H17 | 119.5° | 118.9° |
| C15 | C16 | C05 | H18 | 119.5° | 118.9° |
| C16 | C15 | C14 | H2 | 119.2° | 118.2° |
| C16 | C15 | C14 | H3 | 119.2° | 118.4° |
| C15 | C16 | C05 | N04 | 164.2° | 162.8° |
| C15 | C16 | C05 | C06 | 14.9° | 17.2° |
| C16 | C15 | C14 | C06 | 24.9° | 26.2° |
| C16 | C15 | H2 | H3 | 122.3° | 123.7° |
| C16 | C15 | C14 | H15 | 94.5° | 145.1° |
| C16 | C15 | C14 | H16 | 144.2° | 92.6° |
| C15 | C16 | H17 | H18 | 121.4° | 122.1° |
| C05 | C16 | C15 | C14 | 24.6° | 26.3° |
| C16 | C05 | N04 | C06 | 179.1° | 180.0° |
| C16 | C05 | N04 | C10 | 179.7° | 180.0° |
| C16 | C05 | C06 | C14 | 1.1° | 0.1° |
| C16 | C05 | C06 | C07 | 178.7° | 180.0° |
| C05 | C16 | C15 | H2 | 143.8° | 144.5° |
| C05 | C16 | C15 | H3 | 94.6° | 92.0° |
| C05 | C16 | H17 | H18 | 121.4° | 122.1° |
| C15 | C14 | C06 | C05 | 16.4° | 17.1° |
| C15 | C14 | C06 | H15 | 119.3° | 118.9° |
| C15 | C14 | C06 | H16 | 119.3° | 118.9° |
| C15 | C14 | C06 | C07 | 163.4° | 162.8° |
| C14 | C15 | H2 | H3 | 122.3° | 123.4° |
| C15 | C14 | H15 | H16 | 122.0° | 122.2° |
| C14 | C15 | C16 | H17 | 144.1° | 92.6° |
| C14 | C15 | C16 | H18 | 95.0° | 145.2° |
| C05 | N04 | C10 | C11 | 179.9° | 179.7° |
| C05 | N04 | C10 | C09 | 0.2° | 0.0° |
| N04 | C05 | C06 | C14 | 179.7° | 179.9° |
| N04 | C05 | C06 | C07 | 0.5° | 0.0° |
| C05 | N04 | C03 | H9 | 38.2° | 30.0° |
| C05 | N04 | C03 | H10 | 159.6° | 150.0° |
| N04 | C05 | C16 | H17 | 44.7° | 78.3° |
| N04 | C05 | C16 | H18 | 76.2° | 43.9° |
| C10 | N04 | C05 | C06 | 1.2° | 0.0° |
| N04 | C10 | C11 | C09 | 179.7° | 179.7° |
| N04 | C10 | C11 | C12 | 171.9° | 163.1° |
| N04 | C10 | C09 | C07 | 2.5° | 0.0° |
| N04 | C10 | C09 | C13 | 178.1° | 179.9° |
| C10 | N04 | C03 | H9 | 141.3° | 150.0° |
| C10 | N04 | C03 | H10 | 19.9° | 30.0° |
| N04 | C10 | C11 | H13 | 53.0° | 78.0° |
| N04 | C10 | C11 | H20 | 69.1° | 44.2° |
| C05 | C06 | C14 | C07 | 179.8° | 179.9° |
| C05 | C06 | C07 | C09 | 3.2° | 0.0° |
| C05 | C06 | C07 | N08 | 179.7° | 179.9° |
| C05 | C06 | C14 | H15 | 102.9° | 136.0° |
| C05 | C06 | C14 | H16 | 135.7° | 101.8° |
| C06 | C05 | C16 | H17 | 134.5° | 101.7° |
| C06 | C05 | C16 | H18 | 104.6° | 136.2° |
| C10 | C11 | C12 | H13 | 118.9° | 118.9° |
| C10 | C11 | C12 | H20 | 118.9° | 118.9° |
| C10 | C11 | C12 | C13 | 11.3° | 26.1° |
| C11 | C10 | C09 | C07 | 177.3° | 179.7° |
| C11 | C10 | C09 | C13 | 1.7° | 0.4° |
| C10 | C11 | H13 | H20 | 123.1° | 122.1° |
| C10 | C11 | C12 | H14 | 109.0° | 91.9° |
| C10 | C11 | C12 | H21 | 131.5° | 144.5° |
| C12 | C11 | C10 | C09 | 7.8° | 17.3° |
| C11 | C12 | C13 | H14 | 120.2° | 118.2° |
| C11 | C12 | C13 | H21 | 120.2° | 118.3° |
| C11 | C12 | C13 | C09 | 10.5° | 25.9° |
| C11 | C12 | C13 | H1 | 129.7° | 145.0° |
| C12 | C11 | H13 | H20 | 123.1° | 122.1° |
| C11 | C12 | H14 | H21 | 119.4° | 123.5° |
| C11 | C12 | C13 | H19 | 108.7° | 92.9° |
| C10 | C09 | C07 | C06 | 4.0° | 0.0° |
| C10 | C09 | C13 | C12 | 5.3° | 16.7° |
| C10 | C09 | C07 | C13 | 174.6° | 179.9° |
| C10 | C09 | C07 | N08 | 179.6° | 179.9° |
| C10 | C09 | C13 | H1 | 124.5° | 136.0° |
| C09 | C10 | C11 | H13 | 126.7° | 101.7° |
| C10 | C09 | C13 | H19 | 113.9° | 101.9° |
| C09 | C10 | C11 | H20 | 111.1° | 136.2° |
| C14 | C06 | C07 | C09 | 177.1° | 179.9° |
| C14 | C06 | C07 | N08 | 0.5° | 0.1° |
| C06 | C14 | C15 | H2 | 144.1° | 144.4° |
| C06 | C14 | C15 | H3 | 94.3° | 92.2° |
| C06 | C14 | H15 | H16 | 122.0° | 122.1° |
| C06 | C07 | C09 | N08 | 176.3° | 179.9° |
| C06 | C07 | C09 | C13 | 178.6° | 179.9° |
| C06 | C07 | N08 | H11 | 180.0° | 0.1° |
| C06 | C07 | N08 | H12 | 60.0° | 180.0° |
| C07 | C06 | C14 | H15 | 77.3° | 43.9° |
| C07 | C06 | C14 | H16 | 44.1° | 78.3° |
| C12 | C13 | C09 | C07 | 169.7° | 163.2° |
| C12 | C13 | C09 | H1 | 119.2° | 119.3° |
| C12 | C13 | C09 | H19 | 119.2° | 118.6° |
| C12 | C13 | H1 | H19 | 122.3° | 121.9° |
| C13 | C12 | C11 | H13 | 130.2° | 92.8° |
| C13 | C12 | H14 | H21 | 119.4° | 123.6° |
| C13 | C12 | C11 | H20 | 107.7° | 145.0° |
| C07 | C09 | C13 | H1 | 50.5° | 43.9° |
| C09 | C07 | N08 | H11 | 3.7° | 180.0° |
| C09 | C07 | N08 | H12 | 116.4° | 0.1° |
| C07 | C09 | C13 | H19 | 71.1° | 78.2° |
| C13 | C09 | C07 | N08 | 5.0° | 0.2° |
| C09 | C13 | H1 | H19 | 122.3° | 122.1° |
| C09 | C13 | C12 | H14 | 109.7° | 92.3° |
| C09 | C13 | C12 | H21 | 130.7° | 144.2° |
| C07 | N08 | H11 | H12 | 120.0° | 179.9° |
| H1 | C13 | C12 | H14 | 9.5° | 26.8° |
| H1 | C13 | C12 | H21 | 110.1° | 96.7° |
| H2 | C15 | C14 | H15 | 24.7° | 96.6° |
| H2 | C15 | C14 | H16 | 96.6° | 25.6° |
| H2 | C15 | C16 | H17 | 96.7° | 25.6° |
| H2 | C15 | C16 | H18 | 24.2° | 96.6° |
| H3 | C15 | C14 | H15 | 146.3° | 26.7° |
| H3 | C15 | C14 | H16 | 25.0° | 148.9° |
| H3 | C15 | C16 | H17 | 24.9° | 149.1° |
| H3 | C15 | C16 | H18 | 145.8° | 26.9° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H4 | C01 | C02 | H7 | 59.1° | 180.0° |
| H4 | C01 | C02 | H8 | 59.1° | 60.0° |
| H5 | C01 | C02 | H7 | 179.1° | 60.0° |
| H5 | C01 | C02 | H8 | 60.9° | 60.0° |
| H6 | C01 | C02 | H7 | 60.9° | 60.0° |
| H6 | C01 | C02 | H8 | 179.1° | 180.0° |
| H7 | C02 | C03 | H9 | 17.0° | 180.0° |
| H7 | C02 | C03 | H10 | 138.4° | 60.1° |
| H8 | C02 | C03 | H9 | 135.2° | 60.0° |
| H8 | C02 | C03 | H10 | 103.4° | 180.0° |
| H13 | C11 | C12 | H14 | 10.0° | 149.2° |
| H13 | C11 | C12 | H21 | 109.6° | 25.6° |
| H14 | C12 | C13 | H19 | 131.1° | 149.0° |
| H14 | C12 | C11 | H20 | 132.1° | 27.0° |
| H19 | C13 | C12 | H21 | 11.5° | 25.5° |
| H20 | C11 | C12 | H21 | 12.5° | 96.6° |
