F4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| C04 | C06 | sing | 1.53Å | 1.50Å | |
| C04 | O03 | sing | 1.45Å | 1.38Å | |
| C04 | C07 | sing | 1.53Å | 1.52Å | |
| O03 | C02 | sing | 1.35Å | 1.41Å | |
| N08 | C02 | sing | 1.35Å | 1.44Å | |
| N08 | C09 | sing | 1.46Å | 1.44Å | |
| O27 | C20 | doub | 1.21Å | 1.16Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C09 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | N21 | sing | 1.35Å | 1.42Å | |
| C11 | C12 | doub | 1.34Å | 1.39Å | Aromatic |
| C11 | C15 | sing | 1.46Å | 1.42Å | Aromatic |
| C12 | N13 | sing | 1.37Å | 1.34Å | Aromatic |
| N26 | N25 | sing | 1.28Å | 1.35Å | Aromatic |
| N26 | C22 | doub | 1.31Å | 1.33Å | Aromatic |
| N25 | N24 | doub | 1.29Å | 1.33Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.43Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| N13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | N21 | sing | 1.39Å | 1.43Å | |
| C22 | N23 | sing | 1.35Å | 1.32Å | Aromatic |
| C16 | C17 | sing | 1.37Å | 1.40Å | Aromatic |
| N24 | N23 | sing | 1.41Å | 1.34Å | Aromatic |
| C14 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| N13 | H16 | sing | 0.97Å | 1.00Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N21 | H20 | sing | 0.97Å | 1.00Å | |
| N23 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C06 | 108.5° | 109.5° |
| C05 | C04 | O03 | 104.8° | 109.5° |
| C05 | C04 | C07 | 109.6° | 109.5° |
| C04 | C05 | H4 | 109.5° | 109.5° |
| C04 | C05 | H5 | 109.5° | 109.5° |
| C04 | C05 | H6 | 109.4° | 109.5° |
| C06 | C04 | O03 | 110.8° | 109.5° |
| C06 | C04 | C07 | 109.8° | 109.4° |
| C04 | C06 | H7 | 109.5° | 109.5° |
| C04 | C06 | H8 | 109.5° | 109.5° |
| C04 | C06 | H9 | 109.5° | 109.5° |
| O03 | C04 | C07 | 113.2° | 109.5° |
| C04 | O03 | C02 | 122.9° | 117.0° |
| C04 | C07 | H10 | 109.5° | 109.5° |
| C04 | C07 | H11 | 109.4° | 109.4° |
| C04 | C07 | H12 | 109.5° | 109.5° |
| O03 | C02 | N08 | 113.7° | 120.0° |
| O03 | C02 | O01 | 124.3° | 120.0° |
| C02 | N08 | C09 | 127.6° | 120.0° |
| N08 | C02 | O01 | 122.1° | 120.0° |
| C02 | N08 | H13 | 116.2° | 120.0° |
| N08 | C09 | C10 | 101.5° | 109.5° |
| N08 | C09 | C20 | 109.5° | 109.5° |
| C09 | N08 | H13 | 116.2° | 120.0° |
| N08 | C09 | H14 | 110.6° | 109.5° |
| O27 | C20 | C09 | 123.2° | 120.0° |
| O27 | C20 | N21 | 115.9° | 120.0° |
| C09 | C10 | C11 | 116.9° | 109.5° |
| C10 | C09 | C20 | 115.9° | 109.5° |
| C09 | C10 | H1 | 107.6° | 109.4° |
| C09 | C10 | H2 | 107.6° | 109.5° |
| C10 | C09 | H14 | 109.6° | 109.5° |
| C10 | C11 | C12 | 127.3° | 126.5° |
| C10 | C11 | C15 | 122.9° | 126.5° |
| C11 | C10 | H1 | 107.6° | 109.5° |
| C11 | C10 | H2 | 107.6° | 109.5° |
| C09 | C20 | N21 | 120.8° | 120.0° |
| C20 | C09 | H14 | 109.5° | 109.5° |
| C20 | N21 | C22 | 120.3° | 120.0° |
| C20 | N21 | H20 | 119.9° | 119.9° |
| C12 | C11 | C15 | 109.8° | 107.0° |
| C11 | C12 | N13 | 106.8° | 110.0° |
| C11 | C12 | H15 | 126.6° | 125.0° |
| C11 | C15 | C16 | 134.3° | 134.1° |
| C11 | C15 | C14 | 104.6° | 106.0° |
| C12 | N13 | C14 | 110.6° | 109.8° |
| N13 | C12 | H15 | 126.6° | 125.1° |
| C12 | N13 | H16 | 124.7° | 125.0° |
| N25 | N26 | C22 | 107.7° | 110.5° |
| N26 | N25 | N24 | 108.6° | 110.3° |
| N26 | C22 | N21 | 127.8° | 126.4° |
| N26 | C22 | N23 | 107.9° | 107.2° |
| N25 | N24 | N23 | 106.3° | 106.8° |
| C16 | C15 | C14 | 121.1° | 119.9° |
| C15 | C16 | C17 | 119.1° | 119.8° |
| C15 | C16 | H17 | 120.5° | 120.1° |
| C15 | C14 | N13 | 108.2° | 107.2° |
| C15 | C14 | C19 | 119.1° | 119.4° |
| N13 | C14 | C19 | 132.7° | 133.4° |
| C14 | N13 | H16 | 124.7° | 125.1° |
| N21 | C22 | N23 | 124.3° | 126.4° |
| C22 | N21 | H20 | 119.9° | 120.1° |
| C22 | N23 | N24 | 109.5° | 105.2° |
| C22 | N23 | H21 | 125.3° | 127.4° |
| C16 | C17 | C18 | 120.5° | 120.5° |
| C16 | C17 | H3 | 119.8° | 119.7° |
| C17 | C16 | H17 | 120.4° | 120.1° |
| N24 | N23 | H21 | 125.3° | 127.4° |
| C14 | C19 | C18 | 119.6° | 119.7° |
| C14 | C19 | H19 | 120.2° | 120.2° |
| C17 | C18 | C19 | 120.5° | 120.7° |
| C18 | C17 | H3 | 119.7° | 119.8° |
| C17 | C18 | H18 | 119.7° | 119.7° |
| C19 | C18 | H18 | 119.7° | 119.6° |
| C18 | C19 | H19 | 120.2° | 120.1° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H4 | C05 | H5 | 109.4° | 109.5° |
| H4 | C05 | H6 | 109.5° | 109.4° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H7 | C06 | H8 | 109.5° | 109.5° |
| H7 | C06 | H9 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.5° | 109.4° |
| H10 | C07 | H11 | 109.4° | 109.5° |
| H10 | C07 | H12 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C06 | O03 | 114.5° | 120.0° |
| C05 | C04 | C06 | C07 | 119.7° | 120.0° |
| C05 | C04 | O03 | C07 | 119.3° | 120.0° |
| C05 | C04 | O03 | C02 | 169.4° | 60.0° |
| C04 | C05 | H4 | H5 | 120.0° | 120.0° |
| C04 | C05 | H4 | H6 | 120.0° | 120.0° |
| C04 | C05 | H5 | H6 | 120.0° | 120.0° |
| C05 | C04 | C06 | H7 | 180.0° | 180.0° |
| C05 | C04 | C06 | H8 | 60.0° | 59.9° |
| C05 | C04 | C06 | H9 | 60.0° | 60.0° |
| C05 | C04 | C07 | H10 | 180.0° | 180.0° |
| C05 | C04 | C07 | H11 | 60.0° | 60.0° |
| C05 | C04 | C07 | H12 | 60.0° | 59.9° |
| C06 | C04 | O03 | C07 | 123.9° | 119.9° |
| C06 | C04 | O03 | C02 | 73.8° | 60.0° |
| C06 | C04 | C05 | H4 | 180.0° | 59.9° |
| C06 | C04 | C05 | H5 | 60.0° | 180.0° |
| C06 | C04 | C05 | H6 | 60.0° | 60.0° |
| C04 | C06 | H7 | H8 | 120.0° | 120.1° |
| C04 | C06 | H7 | H9 | 120.0° | 120.0° |
| C04 | C06 | H8 | H9 | 120.0° | 120.0° |
| C06 | C04 | C07 | H10 | 60.9° | 60.0° |
| C06 | C04 | C07 | H11 | 59.0° | 180.0° |
| C06 | C04 | C07 | H12 | 179.0° | 60.1° |
| C04 | O03 | C02 | N08 | 151.8° | 180.0° |
| C04 | O03 | C02 | O01 | 29.2° | 0.0° |
| O03 | C04 | C05 | H4 | 61.6° | 179.9° |
| O03 | C04 | C05 | H5 | 178.4° | 60.0° |
| O03 | C04 | C05 | H6 | 58.4° | 60.0° |
| O03 | C04 | C06 | H7 | 65.5° | 59.9° |
| O03 | C04 | C06 | H8 | 54.5° | 180.0° |
| O03 | C04 | C06 | H9 | 174.5° | 60.1° |
| O03 | C04 | C07 | H10 | 63.5° | 60.0° |
| O03 | C04 | C07 | H11 | 176.5° | 60.1° |
| O03 | C04 | C07 | H12 | 56.5° | 180.0° |
| C07 | C04 | O03 | C02 | 50.1° | 180.0° |
| C07 | C04 | C05 | H4 | 60.1° | 60.1° |
| C07 | C04 | C05 | H5 | 59.8° | 60.0° |
| C07 | C04 | C05 | H6 | 179.8° | 180.0° |
| C07 | C04 | C06 | H7 | 60.3° | 60.0° |
| C07 | C04 | C06 | H8 | 179.7° | 60.1° |
| C07 | C04 | C06 | H9 | 59.7° | 180.0° |
| C04 | C07 | H10 | H11 | 120.0° | 120.0° |
| C04 | C07 | H10 | H12 | 120.1° | 120.1° |
| C04 | C07 | H11 | H12 | 120.0° | 119.9° |
| O03 | C02 | N08 | O01 | 179.0° | 180.0° |
| O03 | C02 | N08 | C09 | 156.7° | 180.0° |
| O03 | C02 | N08 | H13 | 23.3° | 0.0° |
| C02 | N08 | C09 | H13 | 180.0° | 179.9° |
| C02 | N08 | C09 | C10 | 168.1° | 155.0° |
| C02 | N08 | C09 | C20 | 68.9° | 85.0° |
| C02 | N08 | C09 | H14 | 51.9° | 34.9° |
| N08 | C09 | C20 | O27 | 45.0° | 0.0° |
| C09 | N08 | C02 | O01 | 22.3° | 0.0° |
| N08 | C09 | C10 | C20 | 118.5° | 120.0° |
| N08 | C09 | C10 | H14 | 117.0° | 120.0° |
| N08 | C09 | C10 | C11 | 178.1° | 65.0° |
| N08 | C09 | C20 | H14 | 121.4° | 120.0° |
| N08 | C09 | C20 | N21 | 132.8° | 180.0° |
| N08 | C09 | C10 | H1 | 57.0° | 174.9° |
| N08 | C09 | C10 | H2 | 60.9° | 55.0° |
| O27 | C20 | C09 | C10 | 68.9° | 120.0° |
| O27 | C20 | C09 | N21 | 177.8° | 180.0° |
| O27 | C20 | N21 | C22 | 0.1° | 0.0° |
| O27 | C20 | C09 | H14 | 166.5° | 120.0° |
| O27 | C20 | N21 | H20 | 179.9° | 180.0° |
| O01 | C02 | N08 | H13 | 157.7° | 180.0° |
| C09 | C10 | C11 | H1 | 121.1° | 120.0° |
| C09 | C10 | C11 | H2 | 121.1° | 120.0° |
| C10 | C09 | C20 | H14 | 124.6° | 120.0° |
| C10 | C09 | C20 | N21 | 113.3° | 60.0° |
| C09 | C10 | C11 | C12 | 66.5° | 95.1° |
| C09 | C10 | C11 | C15 | 116.4° | 85.0° |
| C09 | C10 | H1 | H2 | 116.7° | 120.0° |
| C10 | C09 | N08 | H13 | 11.9° | 25.0° |
| C11 | C10 | C09 | C20 | 59.6° | 175.0° |
| C10 | C11 | C12 | C15 | 177.5° | 179.9° |
| C10 | C11 | C12 | N13 | 178.3° | 179.9° |
| C10 | C11 | C15 | C16 | 0.9° | 0.1° |
| C10 | C11 | C15 | C14 | 178.5° | 179.7° |
| C11 | C10 | H1 | H2 | 116.6° | 120.0° |
| C11 | C10 | C09 | H14 | 65.0° | 55.0° |
| C10 | C11 | C12 | H15 | 1.7° | 0.0° |
| C09 | C20 | N21 | C22 | 178.0° | 180.0° |
| C20 | C09 | C10 | H1 | 61.5° | 55.0° |
| C20 | C09 | C10 | H2 | 179.4° | 65.0° |
| C20 | C09 | N08 | H13 | 111.1° | 95.0° |
| C09 | C20 | N21 | H20 | 1.9° | 0.0° |
| C20 | N21 | C22 | N26 | 64.1° | 179.7° |
| C20 | N21 | C22 | H20 | 180.0° | 180.0° |
| C20 | N21 | C22 | N23 | 114.4° | 0.0° |
| N21 | C20 | C09 | H14 | 11.3° | 60.0° |
| C11 | C12 | N13 | H15 | 180.0° | 180.0° |
| C12 | C11 | C15 | C16 | 178.5° | 180.0° |
| C12 | C11 | C15 | C14 | 0.9° | 0.3° |
| C11 | C12 | N13 | C14 | 0.5° | 0.3° |
| C12 | C11 | C10 | H1 | 54.6° | 145.0° |
| C12 | C11 | C10 | H2 | 172.4° | 25.0° |
| C11 | C12 | N13 | H16 | 179.5° | 180.0° |
| C15 | C11 | C12 | N13 | 0.9° | 0.0° |
| C11 | C15 | C16 | C14 | 179.4° | 179.7° |
| C11 | C15 | C14 | N13 | 0.6° | 0.4° |
| C11 | C15 | C16 | C17 | 180.0° | 179.7° |
| C11 | C15 | C14 | C19 | 179.5° | 179.8° |
| C15 | C11 | C10 | H1 | 122.5° | 35.0° |
| C15 | C11 | C10 | H2 | 4.7° | 155.0° |
| C15 | C11 | C12 | H15 | 179.1° | 180.0° |
| C11 | C15 | C16 | H17 | 0.0° | 0.3° |
| C12 | N13 | C14 | C15 | 0.1° | 0.5° |
| C12 | N13 | C14 | H16 | 180.0° | 179.7° |
| C12 | N13 | C14 | C19 | 180.0° | 179.8° |
| N25 | N26 | C22 | N21 | 178.3° | 179.9° |
| N25 | N26 | C22 | N23 | 0.4° | 0.4° |
| N26 | N25 | N24 | N23 | 0.0° | 0.3° |
| C22 | N26 | N25 | N24 | 0.3° | 0.4° |
| N26 | C22 | N21 | N23 | 178.5° | 179.7° |
| N26 | C22 | N23 | N24 | 0.4° | 0.3° |
| N26 | C22 | N21 | H20 | 115.9° | 0.4° |
| N26 | C22 | N23 | H21 | 179.6° | 179.8° |
| N25 | N24 | N23 | C22 | 0.2° | 0.0° |
| N25 | N24 | N23 | H21 | 179.8° | 180.0° |
| C16 | C15 | C14 | N13 | 179.0° | 179.8° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 1.0° | 0.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.1° |
| C15 | C16 | C17 | H3 | 179.7° | 179.9° |
| C15 | C14 | N13 | C19 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 0.7° | 0.0° |
| C15 | C14 | C19 | C18 | 0.8° | 0.0° |
| C15 | C14 | N13 | H16 | 179.9° | 179.8° |
| C14 | C15 | C16 | H17 | 179.4° | 180.0° |
| C15 | C14 | C19 | H19 | 179.2° | 180.0° |
| N13 | C14 | C19 | C18 | 179.0° | 179.7° |
| C14 | N13 | C12 | H15 | 179.5° | 179.7° |
| N13 | C14 | C19 | H19 | 1.0° | 0.3° |
| N21 | C22 | N23 | N24 | 178.3° | 180.0° |
| N21 | C22 | N23 | H21 | 1.7° | 0.1° |
| C22 | N23 | N24 | H21 | 180.0° | 180.0° |
| N23 | C22 | N21 | H20 | 65.6° | 180.0° |
| C16 | C17 | C18 | H3 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.2° | 0.2° |
| C16 | C17 | C18 | H18 | 179.8° | 179.9° |
| C14 | C19 | C18 | C17 | 0.5° | 0.1° |
| C14 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C14 | N13 | H16 | 0.0° | 0.1° |
| C14 | C19 | C18 | H18 | 179.5° | 179.9° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | H17 | 179.8° | 179.9° |
| C17 | C18 | C19 | H19 | 179.6° | 179.9° |
| C19 | C18 | C17 | H3 | 179.8° | 180.0° |
| H1 | C10 | C09 | H14 | 174.0° | 65.0° |
| H2 | C10 | C09 | H14 | 56.1° | 175.0° |
| H3 | C17 | C16 | H17 | 0.2° | 0.1° |
| H3 | C17 | C18 | H18 | 0.2° | 0.1° |
| H4 | C05 | H5 | H6 | 120.0° | 120.0° |
| H7 | C06 | H8 | H9 | 120.0° | 119.9° |
| H10 | C07 | H11 | H12 | 120.0° | 120.0° |
| H13 | N08 | C09 | H14 | 128.1° | 145.0° |
| H15 | C12 | N13 | H16 | 0.5° | 0.1° |
| H18 | C18 | C19 | H19 | 0.5° | 0.1° |
