F30
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | N04 | sing | 1.37Å | 1.34Å | Aromatic |
| C03 | C02 | doub | 1.34Å | 1.39Å | Aromatic |
| N04 | C05 | sing | 1.37Å | 1.37Å | Aromatic |
| C02 | BR01 | sing | 1.89Å | 1.96Å | |
| C02 | C10 | sing | 1.47Å | 1.43Å | Aromatic |
| C05 | C10 | doub | 1.41Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | C11 | sing | 1.48Å | 1.54Å | |
| O12 | C11 | doub | 1.22Å | 1.20Å | |
| C11 | N13 | sing | 1.35Å | 1.47Å | |
| N13 | C14 | sing | 1.40Å | 1.46Å | |
| C14 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C20 | sing | 1.48Å | 1.53Å | |
| C20 | N21 | sing | 1.36Å | 1.35Å | Aromatic |
| C20 | N24 | doub | 1.32Å | 1.35Å | Aromatic |
| N21 | N22 | sing | 1.41Å | 1.37Å | Aromatic |
| N24 | N23 | sing | 1.28Å | 1.36Å | Aromatic |
| N22 | N23 | doub | 1.29Å | 1.35Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| N04 | H4 | sing | 0.97Å | 1.00Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| N13 | H8 | sing | 0.97Å | 1.00Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| N21 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N04 | C03 | C02 | 108.9° | 109.9° |
| C03 | N04 | C05 | 110.8° | 110.0° |
| N04 | C03 | H3 | 125.5° | 125.0° |
| C03 | N04 | H4 | 124.6° | 125.0° |
| C03 | C02 | BR01 | 128.5° | 126.5° |
| C03 | C02 | C10 | 106.1° | 106.9° |
| C02 | C03 | H3 | 125.5° | 125.0° |
| N04 | C05 | C10 | 106.6° | 107.1° |
| N04 | C05 | C06 | 133.1° | 133.2° |
| C05 | N04 | H4 | 124.6° | 125.0° |
| BR01 | C02 | C10 | 125.5° | 126.6° |
| C02 | C10 | C05 | 107.5° | 106.1° |
| C02 | C10 | C09 | 133.2° | 133.9° |
| C10 | C05 | C06 | 120.2° | 119.7° |
| C05 | C10 | C09 | 119.3° | 120.0° |
| C05 | C06 | C07 | 119.7° | 120.2° |
| C05 | C06 | H5 | 120.2° | 119.9° |
| C10 | C09 | C08 | 120.6° | 119.4° |
| C10 | C09 | H7 | 119.7° | 120.3° |
| C06 | C07 | C08 | 120.6° | 120.7° |
| C07 | C06 | H5 | 120.1° | 119.9° |
| C06 | C07 | H6 | 119.7° | 119.7° |
| C09 | C08 | C07 | 119.6° | 120.0° |
| C09 | C08 | C11 | 117.1° | 120.0° |
| C08 | C09 | H7 | 119.7° | 120.3° |
| C07 | C08 | C11 | 123.1° | 120.0° |
| C08 | C07 | H6 | 119.7° | 119.6° |
| C08 | C11 | O12 | 117.2° | 120.0° |
| C08 | C11 | N13 | 121.0° | 120.0° |
| O12 | C11 | N13 | 121.8° | 120.0° |
| C11 | N13 | C14 | 123.1° | 120.0° |
| C11 | N13 | H8 | 118.5° | 120.0° |
| N13 | C14 | C19 | 117.2° | 120.0° |
| N13 | C14 | C15 | 122.7° | 120.0° |
| C14 | N13 | H8 | 118.5° | 120.0° |
| C19 | C14 | C15 | 120.0° | 120.0° |
| C14 | C19 | C18 | 120.9° | 120.2° |
| C14 | C19 | H10 | 119.5° | 119.9° |
| C14 | C15 | C16 | 119.0° | 119.8° |
| C14 | C15 | H1 | 120.5° | 120.1° |
| C19 | C18 | C17 | 119.3° | 120.2° |
| C19 | C18 | H9 | 120.3° | 119.9° |
| C18 | C19 | H10 | 119.5° | 119.9° |
| C15 | C16 | C17 | 120.7° | 119.8° |
| C15 | C16 | C20 | 118.0° | 120.1° |
| C16 | C15 | H1 | 120.5° | 120.1° |
| C18 | C17 | C16 | 120.0° | 120.0° |
| C18 | C17 | H2 | 120.0° | 120.0° |
| C17 | C18 | H9 | 120.3° | 119.9° |
| C17 | C16 | C20 | 121.3° | 120.1° |
| C16 | C17 | H2 | 120.0° | 120.0° |
| C16 | C20 | N21 | 125.5° | 126.4° |
| C16 | C20 | N24 | 125.4° | 126.5° |
| N21 | C20 | N24 | 109.1° | 107.0° |
| C20 | N21 | N22 | 107.0° | 105.2° |
| C20 | N21 | H11 | 126.5° | 127.4° |
| C20 | N24 | N23 | 107.5° | 110.5° |
| N21 | N22 | N23 | 108.5° | 106.9° |
| N22 | N21 | H11 | 126.5° | 127.4° |
| N24 | N23 | N22 | 107.9° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N04 | C03 | C02 | H3 | 180.0° | 179.8° |
| C03 | N04 | C05 | H4 | 180.0° | 179.8° |
| N04 | C03 | C02 | BR01 | 179.1° | 180.0° |
| N04 | C03 | C02 | C10 | 0.4° | 0.1° |
| C03 | N04 | C05 | C10 | 0.7° | 0.4° |
| C03 | N04 | C05 | C06 | 179.5° | 180.0° |
| C02 | C03 | N04 | C05 | 0.2° | 0.2° |
| C03 | C02 | BR01 | C10 | 178.5° | 179.9° |
| C03 | C02 | C10 | C05 | 0.8° | 0.3° |
| C03 | C02 | C10 | C09 | 178.2° | 180.0° |
| C02 | C03 | N04 | H4 | 179.8° | 180.0° |
| N04 | C05 | C10 | C02 | 0.9° | 0.4° |
| N04 | C05 | C10 | C06 | 178.9° | 179.7° |
| N04 | C05 | C10 | C09 | 178.3° | 179.8° |
| N04 | C05 | C06 | C07 | 178.3° | 179.9° |
| C05 | N04 | C03 | H3 | 179.8° | 180.0° |
| N04 | C05 | C06 | H5 | 1.7° | 0.1° |
| BR01 | C02 | C10 | C05 | 179.6° | 179.8° |
| BR01 | C02 | C10 | C09 | 0.5° | 0.0° |
| BR01 | C02 | C03 | H3 | 0.9° | 0.2° |
| C02 | C10 | C05 | C09 | 179.2° | 179.8° |
| C02 | C10 | C05 | C06 | 179.9° | 179.9° |
| C02 | C10 | C09 | C08 | 178.7° | 179.1° |
| C10 | C02 | C03 | H3 | 179.6° | 179.8° |
| C02 | C10 | C09 | H7 | 1.3° | 0.0° |
| C10 | C05 | C06 | C07 | 0.3° | 0.4° |
| C05 | C10 | C09 | C08 | 0.3° | 0.6° |
| C10 | C05 | N04 | H4 | 179.3° | 179.9° |
| C10 | C05 | C06 | H5 | 179.6° | 179.6° |
| C05 | C10 | C09 | H7 | 179.7° | 179.7° |
| C06 | C05 | C10 | C09 | 0.7° | 0.1° |
| C05 | C06 | C07 | H5 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.9° | 0.0° |
| C06 | C05 | N04 | H4 | 0.5° | 0.2° |
| C05 | C06 | C07 | H6 | 179.1° | 180.0° |
| C10 | C09 | C08 | H7 | 180.0° | 179.1° |
| C10 | C09 | C08 | C07 | 1.6° | 1.1° |
| C10 | C09 | C08 | C11 | 176.9° | 179.7° |
| C06 | C07 | C08 | C09 | 1.9° | 0.8° |
| C06 | C07 | C08 | H6 | 180.0° | 179.9° |
| C06 | C07 | C08 | C11 | 177.0° | 180.0° |
| C09 | C08 | C07 | C11 | 175.1° | 179.2° |
| C09 | C08 | C11 | O12 | 11.7° | 0.8° |
| C09 | C08 | C11 | N13 | 170.3° | 179.2° |
| C09 | C08 | C07 | H6 | 178.1° | 179.2° |
| C07 | C08 | C11 | O12 | 163.5° | 180.0° |
| C07 | C08 | C11 | N13 | 14.6° | 0.0° |
| C08 | C07 | C06 | H5 | 179.1° | 180.0° |
| C07 | C08 | C09 | H7 | 178.4° | 179.8° |
| C08 | C11 | O12 | N13 | 178.0° | 180.0° |
| C08 | C11 | N13 | C14 | 175.7° | 174.7° |
| C11 | C08 | C07 | H6 | 3.1° | 0.0° |
| C11 | C08 | C09 | H7 | 3.1° | 0.6° |
| C08 | C11 | N13 | H8 | 4.3° | 5.3° |
| O12 | C11 | N13 | C14 | 2.3° | 5.3° |
| O12 | C11 | N13 | H8 | 177.7° | 174.7° |
| C11 | N13 | C14 | H8 | 180.0° | 180.0° |
| C11 | N13 | C14 | C19 | 154.5° | 146.6° |
| C11 | N13 | C14 | C15 | 22.3° | 33.3° |
| N13 | C14 | C19 | C15 | 176.9° | 180.0° |
| N13 | C14 | C19 | C18 | 178.4° | 180.0° |
| N13 | C14 | C15 | C16 | 178.4° | 180.0° |
| N13 | C14 | C15 | H1 | 1.6° | 0.3° |
| N13 | C14 | C19 | H10 | 1.6° | 0.0° |
| C14 | C19 | C18 | H10 | 180.0° | 180.0° |
| C19 | C14 | C15 | C16 | 1.6° | 0.0° |
| C14 | C19 | C18 | C17 | 1.1° | 0.3° |
| C19 | C14 | C15 | H1 | 178.3° | 179.7° |
| C19 | C14 | N13 | H8 | 25.6° | 33.4° |
| C14 | C19 | C18 | H9 | 178.9° | 179.8° |
| C15 | C14 | C19 | C18 | 1.5° | 0.1° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 1.4° | 0.2° |
| C14 | C15 | C16 | C20 | 179.7° | 179.7° |
| C15 | C14 | N13 | H8 | 157.6° | 146.7° |
| C15 | C14 | C19 | H10 | 178.5° | 180.0° |
| C19 | C18 | C17 | H9 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.8° | 0.5° |
| C19 | C18 | C17 | H2 | 179.2° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.5° |
| C15 | C16 | C17 | C20 | 178.3° | 179.9° |
| C15 | C16 | C20 | N21 | 164.5° | 180.0° |
| C15 | C16 | C20 | N24 | 12.8° | 0.3° |
| C15 | C16 | C17 | H2 | 179.0° | 180.0° |
| C18 | C17 | C16 | H2 | 180.0° | 179.5° |
| C18 | C17 | C16 | C20 | 179.3° | 179.5° |
| C17 | C18 | C19 | H10 | 178.9° | 179.7° |
| C17 | C16 | C20 | N21 | 13.9° | 0.0° |
| C17 | C16 | C20 | N24 | 168.8° | 179.6° |
| C17 | C16 | C15 | H1 | 178.6° | 179.9° |
| C16 | C17 | C18 | H9 | 179.2° | 179.6° |
| C16 | C20 | N21 | N24 | 177.6° | 179.7° |
| C16 | C20 | N21 | N22 | 178.0° | 179.8° |
| C16 | C20 | N24 | N23 | 178.7° | 179.7° |
| C20 | C16 | C15 | H1 | 0.2° | 0.0° |
| C20 | C16 | C17 | H2 | 0.7° | 0.1° |
| C16 | C20 | N21 | H11 | 2.0° | 0.3° |
| C20 | N21 | N22 | H11 | 180.0° | 179.9° |
| N21 | C20 | N24 | N23 | 1.0° | 0.0° |
| C20 | N21 | N22 | N23 | 0.5° | 0.1° |
| N24 | C20 | N21 | N22 | 0.4° | 0.1° |
| C20 | N24 | N23 | N22 | 1.3° | 0.0° |
| N24 | C20 | N21 | H11 | 179.6° | 180.0° |
| N21 | N22 | N23 | N24 | 1.1° | 0.0° |
| N23 | N22 | N21 | H11 | 179.6° | 180.0° |
| H2 | C17 | C18 | H9 | 0.8° | 0.0° |
| H3 | C03 | N04 | H4 | 0.2° | 0.2° |
| H5 | C06 | C07 | H6 | 0.9° | 0.1° |
| H9 | C18 | C19 | H10 | 1.1° | 0.2° |
