F2J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C05 | doub | 1.34Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | S01 | sing | 1.71Å | 1.73Å | Aromatic |
| C03 | C02 | doub | 1.36Å | 1.39Å | Aromatic |
| S01 | C02 | sing | 1.76Å | 1.71Å | Aromatic |
| C02 | C06 | sing | 1.47Å | 1.48Å | |
| N08 | C06 | doub | 1.31Å | 1.34Å | |
| C06 | N07 | sing | 1.38Å | 1.33Å | |
| N07 | C11 | sing | 1.40Å | 1.35Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.36Å | Aromatic |
| C14 | N19 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.46Å | 1.51Å | Aromatic |
| N19 | C24 | sing | 1.47Å | 1.45Å | |
| N19 | C18 | sing | 1.37Å | 1.46Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.34Å | 1.54Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | N21 | sing | 1.47Å | 1.48Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | N21 | sing | 1.47Å | 1.47Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| N07 | H18 | sing | 0.97Å | 1.00Å | |
| N08 | H19 | sing | 0.97Å | 1.00Å | |
| N21 | H20 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C03 | 116.8° | 115.0° |
| C04 | C05 | S01 | 106.0° | 111.0° |
| C05 | C04 | H2 | 121.6° | 122.5° |
| C04 | C05 | H3 | 127.0° | 124.5° |
| C04 | C03 | C02 | 112.2° | 113.4° |
| C04 | C03 | H1 | 123.9° | 123.3° |
| C03 | C04 | H2 | 121.6° | 122.5° |
| C05 | S01 | C02 | 95.5° | 91.5° |
| S01 | C05 | H3 | 127.0° | 124.5° |
| C03 | C02 | S01 | 109.4° | 109.1° |
| C03 | C02 | C06 | 134.7° | 125.5° |
| C02 | C03 | H1 | 123.9° | 123.3° |
| S01 | C02 | C06 | 115.9° | 125.4° |
| C02 | C06 | N08 | 121.8° | 120.0° |
| C02 | C06 | N07 | 119.3° | 120.0° |
| N08 | C06 | N07 | 118.9° | 120.0° |
| C06 | N08 | H19 | 112.0° | 120.0° |
| C06 | N07 | C11 | 125.8° | 120.0° |
| C06 | N07 | H18 | 117.1° | 120.0° |
| N07 | C11 | C12 | 117.0° | 119.9° |
| N07 | C11 | C16 | 122.3° | 119.9° |
| C11 | N07 | H18 | 117.1° | 120.0° |
| C11 | C12 | C13 | 121.5° | 120.6° |
| C12 | C11 | C16 | 120.7° | 120.2° |
| C11 | C12 | H4 | 119.2° | 119.7° |
| C12 | C13 | C14 | 116.4° | 120.1° |
| C13 | C12 | H4 | 119.3° | 119.7° |
| C12 | C13 | H5 | 121.8° | 120.0° |
| C11 | C16 | C15 | 116.9° | 119.6° |
| C11 | C16 | H6 | 121.6° | 120.2° |
| C13 | C14 | C15 | 123.1° | 119.5° |
| C13 | C14 | N19 | 128.2° | 133.4° |
| C14 | C13 | H5 | 121.8° | 120.0° |
| C16 | C15 | C14 | 121.4° | 120.0° |
| C16 | C15 | C17 | 128.2° | 134.0° |
| C15 | C16 | H6 | 121.5° | 120.2° |
| C15 | C14 | N19 | 108.6° | 107.1° |
| C14 | C15 | C17 | 110.4° | 106.1° |
| C14 | N19 | C24 | 125.1° | 125.1° |
| C14 | N19 | C18 | 114.4° | 109.9° |
| C15 | C17 | C18 | 104.5° | 107.0° |
| C15 | C17 | H7 | 127.7° | 126.5° |
| C24 | N19 | C18 | 120.1° | 125.0° |
| N19 | C24 | C23 | 107.9° | 109.5° |
| N19 | C24 | C25 | 100.6° | 109.5° |
| N19 | C24 | H13 | 113.0° | 109.6° |
| N19 | C18 | C17 | 101.9° | 109.9° |
| N19 | C18 | H8 | 129.0° | 125.1° |
| C23 | C24 | C25 | 111.4° | 109.2° |
| C24 | C23 | C22 | 109.1° | 109.3° |
| C24 | C23 | H11 | 109.5° | 109.5° |
| C24 | C23 | H12 | 109.6° | 109.5° |
| C23 | C24 | H13 | 111.7° | 109.5° |
| C24 | C25 | C26 | 113.3° | 109.3° |
| C25 | C24 | H13 | 111.7° | 109.5° |
| C24 | C25 | H14 | 108.5° | 109.5° |
| C24 | C25 | H15 | 108.5° | 109.5° |
| C18 | C17 | H7 | 127.8° | 126.5° |
| C17 | C18 | H8 | 129.1° | 125.0° |
| C23 | C22 | N21 | 109.1° | 109.5° |
| C23 | C22 | H9 | 109.6° | 109.4° |
| C23 | C22 | H10 | 109.5° | 109.5° |
| C22 | C23 | H11 | 109.6° | 109.5° |
| C22 | C23 | H12 | 109.6° | 109.5° |
| C22 | N21 | C26 | 109.9° | 111.2° |
| N21 | C22 | H9 | 109.5° | 109.5° |
| N21 | C22 | H10 | 109.5° | 109.5° |
| C22 | N21 | H20 | 109.3° | 111.0° |
| C25 | C26 | N21 | 109.9° | 109.5° |
| C26 | C25 | H14 | 108.5° | 109.5° |
| C26 | C25 | H15 | 108.5° | 109.5° |
| C25 | C26 | H16 | 109.4° | 109.5° |
| C25 | C26 | H17 | 109.3° | 109.5° |
| N21 | C26 | H16 | 109.3° | 109.5° |
| N21 | C26 | H17 | 109.3° | 109.5° |
| C26 | N21 | H20 | 109.4° | 111.0° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.4° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H16 | C26 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C03 | H2 | 180.0° | 179.7° |
| C04 | C05 | S01 | H3 | 180.0° | 179.7° |
| C05 | C04 | C03 | C02 | 1.0° | 0.0° |
| C04 | C05 | S01 | C02 | 0.6° | 0.3° |
| C05 | C04 | C03 | H1 | 179.0° | 180.0° |
| C03 | C04 | C05 | S01 | 0.1° | 0.3° |
| C04 | C03 | C02 | H1 | 180.0° | 179.9° |
| C04 | C03 | C02 | S01 | 1.4° | 0.2° |
| C04 | C03 | C02 | C06 | 179.7° | 180.0° |
| C03 | C04 | C05 | H3 | 179.9° | 180.0° |
| C05 | S01 | C02 | C03 | 1.2° | 0.3° |
| C05 | S01 | C02 | C06 | 179.8° | 179.9° |
| S01 | C05 | C04 | H2 | 179.8° | 180.0° |
| C03 | C02 | S01 | C06 | 178.7° | 179.7° |
| C03 | C02 | C06 | N08 | 149.5° | 0.0° |
| C03 | C02 | C06 | N07 | 29.7° | 180.0° |
| C02 | C03 | C04 | H2 | 178.9° | 179.7° |
| S01 | C02 | C06 | N08 | 32.3° | 179.7° |
| S01 | C02 | C06 | N07 | 148.5° | 0.3° |
| S01 | C02 | C03 | H1 | 178.6° | 179.7° |
| C02 | S01 | C05 | H3 | 179.4° | 179.9° |
| C02 | C06 | N08 | N07 | 179.2° | 180.0° |
| C02 | C06 | N07 | C11 | 15.6° | 173.9° |
| C06 | C02 | C03 | H1 | 0.3° | 0.1° |
| C02 | C06 | N07 | H18 | 164.4° | 6.2° |
| C02 | C06 | N08 | H19 | 179.1° | 171.9° |
| N08 | C06 | N07 | C11 | 165.3° | 6.1° |
| N08 | C06 | N07 | H18 | 14.8° | 173.9° |
| C06 | N07 | C11 | H18 | 180.0° | 180.0° |
| C06 | N07 | C11 | C12 | 130.0° | 39.7° |
| C06 | N07 | C11 | C16 | 52.3° | 140.6° |
| N07 | C06 | N08 | H19 | 0.0° | 8.2° |
| N07 | C11 | C12 | C16 | 177.7° | 179.7° |
| N07 | C11 | C12 | C13 | 178.5° | 179.7° |
| N07 | C11 | C16 | C15 | 179.0° | 179.7° |
| N07 | C11 | C12 | H4 | 1.5° | 0.2° |
| N07 | C11 | C16 | H6 | 1.0° | 0.3° |
| C11 | C12 | C13 | H4 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.6° | 0.1° |
| C12 | C11 | C16 | C15 | 1.4° | 0.0° |
| C11 | C12 | C13 | H5 | 179.5° | 180.0° |
| C12 | C11 | C16 | H6 | 178.6° | 180.0° |
| C12 | C11 | N07 | H18 | 50.0° | 140.4° |
| C13 | C12 | C11 | C16 | 0.7° | 0.0° |
| C12 | C13 | C14 | H5 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.3° | 0.1° |
| C12 | C13 | C14 | N19 | 177.0° | 180.0° |
| C11 | C16 | C15 | H6 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 0.7° | 0.0° |
| C11 | C16 | C15 | C17 | 179.5° | 180.0° |
| C16 | C11 | C12 | H4 | 179.3° | 180.0° |
| C16 | C11 | N07 | H18 | 127.7° | 39.4° |
| C13 | C14 | C15 | C16 | 0.6° | 0.1° |
| C13 | C14 | C15 | N19 | 176.5° | 179.9° |
| C13 | C14 | C15 | C17 | 178.4° | 180.0° |
| C13 | C14 | N19 | C24 | 8.4° | 0.1° |
| C13 | C14 | N19 | C18 | 179.5° | 180.0° |
| C14 | C13 | C12 | H4 | 179.4° | 180.0° |
| C16 | C15 | C14 | C17 | 179.0° | 180.0° |
| C16 | C15 | C14 | N19 | 177.1° | 180.0° |
| C16 | C15 | C17 | C18 | 179.7° | 180.0° |
| C16 | C15 | C17 | H7 | 0.3° | 0.0° |
| C15 | C14 | N19 | C24 | 167.9° | 180.0° |
| C15 | C14 | N19 | C18 | 4.3° | 0.0° |
| C14 | C15 | C17 | C18 | 0.9° | 0.0° |
| C15 | C14 | C13 | H5 | 178.8° | 180.0° |
| C14 | C15 | C16 | H6 | 179.3° | 180.0° |
| C14 | C15 | C17 | H7 | 179.2° | 180.0° |
| N19 | C14 | C15 | C17 | 1.9° | 0.0° |
| C14 | N19 | C24 | C18 | 171.7° | 179.9° |
| C14 | N19 | C24 | C23 | 153.4° | 119.9° |
| C14 | N19 | C24 | C25 | 89.8° | 120.4° |
| C14 | N19 | C18 | C17 | 4.5° | 0.1° |
| N19 | C14 | C13 | H5 | 3.0° | 0.1° |
| C14 | N19 | C18 | H8 | 175.5° | 180.0° |
| C14 | N19 | C24 | H13 | 29.3° | 0.2° |
| C15 | C17 | C18 | N19 | 3.0° | 0.0° |
| C15 | C17 | C18 | H7 | 180.0° | 180.0° |
| C17 | C15 | C16 | H6 | 0.5° | 0.0° |
| C15 | C17 | C18 | H8 | 177.0° | 180.0° |
| N19 | C24 | C23 | C25 | 109.5° | 119.9° |
| N19 | C24 | C23 | H13 | 124.8° | 120.2° |
| N19 | C24 | C25 | H13 | 120.1° | 120.2° |
| C24 | N19 | C18 | C17 | 168.0° | 180.0° |
| N19 | C24 | C23 | C22 | 161.8° | 177.6° |
| N19 | C24 | C25 | C26 | 162.5° | 177.6° |
| C24 | N19 | C18 | H8 | 12.0° | 0.1° |
| N19 | C24 | C23 | H11 | 41.9° | 62.5° |
| N19 | C24 | C23 | H12 | 78.2° | 57.6° |
| N19 | C24 | C25 | H14 | 77.0° | 62.5° |
| N19 | C24 | C25 | H15 | 41.9° | 57.6° |
| C18 | N19 | C24 | C23 | 34.9° | 59.9° |
| C18 | N19 | C24 | C25 | 81.9° | 59.7° |
| N19 | C18 | C17 | H8 | 180.0° | 180.0° |
| N19 | C18 | C17 | H7 | 177.0° | 180.0° |
| C18 | N19 | C24 | H13 | 159.0° | 179.9° |
| C23 | C24 | C25 | H13 | 125.8° | 119.9° |
| C24 | C23 | C22 | H11 | 119.9° | 119.9° |
| C24 | C23 | C22 | H12 | 120.0° | 120.0° |
| C24 | C23 | C22 | N21 | 61.6° | 59.2° |
| C23 | C24 | C25 | C26 | 48.3° | 57.7° |
| C24 | C23 | C22 | H9 | 178.4° | 179.2° |
| C24 | C23 | C22 | H10 | 58.3° | 60.8° |
| C24 | C23 | H11 | H12 | 120.2° | 120.1° |
| C23 | C24 | C25 | H14 | 168.9° | 177.6° |
| C23 | C24 | C25 | H15 | 72.3° | 62.3° |
| C25 | C24 | C23 | C22 | 52.3° | 57.7° |
| C24 | C25 | C26 | H14 | 120.6° | 120.0° |
| C24 | C25 | C26 | H15 | 120.6° | 120.0° |
| C24 | C25 | C26 | N21 | 51.6° | 59.2° |
| C25 | C24 | C23 | H11 | 67.6° | 177.6° |
| C25 | C24 | C23 | H12 | 172.3° | 62.3° |
| C24 | C25 | H14 | H15 | 118.2° | 120.1° |
| C24 | C25 | C26 | H16 | 68.5° | 60.8° |
| C24 | C25 | C26 | H17 | 171.7° | 179.2° |
| C23 | C22 | N21 | H9 | 120.0° | 120.0° |
| C23 | C22 | N21 | H10 | 119.9° | 120.1° |
| C23 | C22 | N21 | C26 | 66.6° | 61.7° |
| C23 | C22 | H9 | H10 | 120.2° | 120.0° |
| C22 | C23 | H11 | H12 | 120.2° | 120.1° |
| C22 | C23 | C24 | H13 | 73.4° | 62.2° |
| C23 | C22 | N21 | H20 | 53.4° | 62.4° |
| C22 | N21 | C26 | C25 | 60.4° | 61.7° |
| C22 | N21 | C26 | H20 | 120.1° | 124.1° |
| N21 | C22 | H9 | H10 | 120.1° | 120.0° |
| N21 | C22 | C23 | H11 | 58.3° | 179.1° |
| N21 | C22 | C23 | H12 | 178.4° | 60.8° |
| C22 | N21 | C26 | H16 | 59.7° | 58.3° |
| C22 | N21 | C26 | H17 | 179.5° | 178.2° |
| C25 | C26 | N21 | H16 | 120.1° | 120.0° |
| C25 | C26 | N21 | H17 | 120.1° | 120.0° |
| C26 | C25 | C24 | H13 | 77.4° | 62.2° |
| C26 | C25 | H14 | H15 | 118.3° | 120.1° |
| C25 | C26 | H16 | H17 | 119.8° | 120.0° |
| C25 | C26 | N21 | H20 | 59.6° | 62.4° |
| C26 | N21 | C22 | H9 | 173.4° | 178.3° |
| C26 | N21 | C22 | H10 | 53.3° | 58.3° |
| N21 | C26 | C25 | H14 | 172.2° | 179.1° |
| N21 | C26 | C25 | H15 | 69.0° | 60.8° |
| N21 | C26 | H16 | H17 | 119.8° | 120.0° |
| H1 | C03 | C04 | H2 | 1.1° | 0.3° |
| H2 | C04 | C05 | H3 | 0.1° | 0.3° |
| H4 | C12 | C13 | H5 | 0.6° | 0.1° |
| H7 | C17 | C18 | H8 | 3.0° | 0.0° |
| H9 | C22 | C23 | H11 | 61.7° | 60.9° |
| H9 | C22 | C23 | H12 | 58.4° | 59.2° |
| H9 | C22 | N21 | H20 | 66.5° | 57.6° |
| H10 | C22 | C23 | H11 | 178.2° | 59.1° |
| H10 | C22 | C23 | H12 | 61.7° | 179.2° |
| H10 | C22 | N21 | H20 | 173.4° | 177.6° |
| H11 | C23 | C24 | H13 | 166.7° | 57.7° |
| H12 | C23 | C24 | H13 | 46.6° | 177.8° |
| H13 | C24 | C25 | H14 | 43.1° | 57.7° |
| H13 | C24 | C25 | H15 | 162.0° | 177.8° |
| H14 | C25 | C26 | H16 | 52.1° | 59.1° |
| H14 | C25 | C26 | H17 | 67.8° | 60.8° |
| H15 | C25 | C26 | H16 | 170.9° | 179.2° |
| H15 | C25 | C26 | H17 | 51.1° | 59.2° |
| H16 | C26 | N21 | H20 | 179.7° | 177.6° |
| H17 | C26 | N21 | H20 | 60.4° | 57.7° |
