FZ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | O14 | sing | 1.43Å | 1.40Å | |
| C16 | N17 | sing | 1.47Å | 1.45Å | |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| O14 | B01 | sing | 1.42Å | 1.34Å | |
| C07 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | B01 | sing | 1.57Å | 1.56Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| B01 | C08 | sing | 1.57Å | 1.57Å | |
| C08 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| N17 | H15 | sing | 1.01Å | 1.00Å | |
| N17 | H16 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | O14 | 108.8° | 109.5° |
| C15 | C16 | N17 | 109.7° | 109.5° |
| C16 | C15 | H11 | 109.6° | 109.5° |
| C16 | C15 | H12 | 109.6° | 109.5° |
| C15 | C16 | H13 | 109.4° | 109.5° |
| C15 | C16 | H14 | 109.4° | 109.4° |
| C15 | O14 | B01 | 123.0° | 114.0° |
| O14 | C15 | H11 | 109.7° | 109.5° |
| O14 | C15 | H12 | 109.7° | 109.5° |
| N17 | C16 | H13 | 109.4° | 109.5° |
| N17 | C16 | H14 | 109.4° | 109.5° |
| C16 | N17 | H15 | 109.5° | 111.0° |
| C16 | N17 | H16 | 109.4° | 111.0° |
| C07 | C06 | C05 | 120.1° | 120.1° |
| C06 | C07 | C02 | 119.5° | 119.8° |
| C07 | C06 | H4 | 120.0° | 120.0° |
| C06 | C07 | H5 | 120.2° | 120.1° |
| C06 | C05 | C04 | 120.2° | 120.2° |
| C06 | C05 | H3 | 119.9° | 119.9° |
| C05 | C06 | H4 | 120.0° | 119.9° |
| O14 | B01 | C02 | 118.9° | 120.0° |
| O14 | B01 | C08 | 119.5° | 120.0° |
| C07 | C02 | B01 | 121.0° | 120.1° |
| C07 | C02 | C03 | 120.6° | 119.7° |
| C02 | C07 | H5 | 120.3° | 120.1° |
| C05 | C04 | C03 | 119.8° | 120.1° |
| C05 | C04 | H2 | 120.1° | 119.9° |
| C04 | C05 | H3 | 119.9° | 119.9° |
| B01 | C02 | C03 | 118.4° | 120.2° |
| C02 | B01 | C08 | 112.6° | 120.0° |
| C02 | C03 | C04 | 119.9° | 119.9° |
| C02 | C03 | H1 | 120.0° | 120.0° |
| C04 | C03 | H1 | 120.0° | 120.0° |
| C03 | C04 | H2 | 120.1° | 120.0° |
| B01 | C08 | C13 | 119.7° | 120.1° |
| B01 | C08 | C09 | 119.9° | 120.1° |
| C13 | C08 | C09 | 120.3° | 119.8° |
| C08 | C13 | C12 | 119.9° | 119.9° |
| C08 | C13 | H10 | 120.1° | 120.1° |
| C08 | C09 | C10 | 119.7° | 119.9° |
| C08 | C09 | H6 | 120.2° | 120.1° |
| C13 | C12 | C11 | 119.9° | 120.1° |
| C13 | C12 | H9 | 120.0° | 120.0° |
| C12 | C13 | H10 | 120.0° | 120.0° |
| C09 | C10 | C11 | 120.1° | 120.1° |
| C10 | C09 | H6 | 120.1° | 120.1° |
| C09 | C10 | H7 | 120.0° | 119.9° |
| C12 | C11 | C10 | 120.1° | 120.3° |
| C12 | C11 | H8 | 119.9° | 119.9° |
| C11 | C12 | H9 | 120.1° | 119.9° |
| C11 | C10 | H7 | 119.9° | 120.0° |
| C10 | C11 | H8 | 119.9° | 119.9° |
| H11 | C15 | H12 | 109.4° | 109.4° |
| H13 | C16 | H14 | 109.4° | 109.5° |
| H15 | N17 | H16 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | O14 | H11 | 119.9° | 120.1° |
| C16 | C15 | O14 | H12 | 119.9° | 120.0° |
| C15 | C16 | N17 | H13 | 120.1° | 120.0° |
| C15 | C16 | N17 | H14 | 120.1° | 120.0° |
| C16 | C15 | O14 | B01 | 130.9° | 174.0° |
| C16 | C15 | H11 | H12 | 120.3° | 120.0° |
| C15 | C16 | H13 | H14 | 119.9° | 120.0° |
| C15 | C16 | N17 | H15 | 180.0° | 56.1° |
| C15 | C16 | N17 | H16 | 60.0° | 180.0° |
| O14 | C15 | C16 | N17 | 112.7° | 65.0° |
| C15 | O14 | B01 | C02 | 20.6° | 174.2° |
| C15 | O14 | B01 | C08 | 124.1° | 5.5° |
| O14 | C15 | H11 | H12 | 120.4° | 120.0° |
| O14 | C15 | C16 | H13 | 7.4° | 175.0° |
| O14 | C15 | C16 | H14 | 127.3° | 55.0° |
| N17 | C16 | C15 | H11 | 7.2° | 175.0° |
| N17 | C16 | C15 | H12 | 127.4° | 55.0° |
| N17 | C16 | H13 | H14 | 119.9° | 120.0° |
| C16 | N17 | H15 | H16 | 120.0° | 123.9° |
| C07 | C06 | C05 | H4 | 180.0° | 179.5° |
| C06 | C07 | C02 | H5 | 180.0° | 179.5° |
| C07 | C06 | C05 | C04 | 0.2° | 0.3° |
| C06 | C07 | C02 | B01 | 179.5° | 179.8° |
| C06 | C07 | C02 | C03 | 0.9° | 0.6° |
| C07 | C06 | C05 | H3 | 179.8° | 179.7° |
| C05 | C06 | C07 | C02 | 0.6° | 0.5° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | H2 | 179.8° | 180.0° |
| C05 | C06 | C07 | H5 | 179.4° | 180.0° |
| O14 | B01 | C02 | C07 | 99.7° | 172.7° |
| O14 | B01 | C02 | C08 | 147.0° | 179.7° |
| O14 | B01 | C02 | C03 | 81.7° | 7.6° |
| O14 | B01 | C08 | C13 | 48.0° | 48.9° |
| O14 | B01 | C08 | C09 | 133.8° | 130.8° |
| B01 | O14 | C15 | H11 | 11.0° | 53.9° |
| B01 | O14 | C15 | H12 | 109.2° | 66.0° |
| C07 | C02 | B01 | C03 | 178.6° | 179.7° |
| C07 | C02 | C03 | C04 | 0.9° | 0.3° |
| C07 | C02 | B01 | C08 | 113.4° | 7.6° |
| C07 | C02 | C03 | H1 | 179.1° | 179.8° |
| C02 | C07 | C06 | H4 | 179.5° | 179.9° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C05 | C04 | C03 | H1 | 179.5° | 180.0° |
| C04 | C05 | C06 | H4 | 179.9° | 179.8° |
| B01 | C02 | C03 | C04 | 179.5° | 180.0° |
| C02 | B01 | C08 | C13 | 98.7° | 131.4° |
| C02 | B01 | C08 | C09 | 79.4° | 48.9° |
| B01 | C02 | C03 | H1 | 0.5° | 0.1° |
| B01 | C02 | C07 | H5 | 0.5° | 0.2° |
| C02 | C03 | C04 | H1 | 180.0° | 179.9° |
| C03 | C02 | B01 | C08 | 65.2° | 172.1° |
| C02 | C03 | C04 | H2 | 179.5° | 180.0° |
| C03 | C02 | C07 | H5 | 179.0° | 179.9° |
| C03 | C04 | C05 | H3 | 179.9° | 180.0° |
| B01 | C08 | C13 | C09 | 178.2° | 179.7° |
| B01 | C08 | C13 | C12 | 179.3° | 179.7° |
| B01 | C08 | C09 | C10 | 179.2° | 180.0° |
| B01 | C08 | C09 | H6 | 0.8° | 0.0° |
| B01 | C08 | C13 | H10 | 0.7° | 0.0° |
| C08 | C13 | C12 | H10 | 180.0° | 179.7° |
| C13 | C08 | C09 | C10 | 1.0° | 0.2° |
| C08 | C13 | C12 | C11 | 0.5° | 0.6° |
| C13 | C08 | C09 | H6 | 179.0° | 179.7° |
| C08 | C13 | C12 | H9 | 179.4° | 179.7° |
| C09 | C08 | C13 | C12 | 1.1° | 0.6° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.4° | 0.0° |
| C08 | C09 | C10 | H7 | 179.6° | 180.0° |
| C09 | C08 | C13 | H10 | 178.9° | 179.8° |
| C13 | C12 | C11 | H9 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H8 | 179.9° | 179.8° |
| C09 | C10 | C11 | C12 | 0.2° | 0.0° |
| C09 | C10 | C11 | H7 | 180.0° | 180.0° |
| C09 | C10 | C11 | H8 | 179.8° | 179.9° |
| C12 | C11 | C10 | H8 | 180.0° | 179.9° |
| C12 | C11 | C10 | H7 | 179.9° | 180.0° |
| C11 | C12 | C13 | H10 | 179.4° | 179.7° |
| C11 | C10 | C09 | H6 | 179.6° | 180.0° |
| C10 | C11 | C12 | H9 | 179.9° | 180.0° |
| H1 | C03 | C04 | H2 | 0.5° | 0.1° |
| H2 | C04 | C05 | H3 | 0.1° | 0.0° |
| H3 | C05 | C06 | H4 | 0.1° | 0.2° |
| H4 | C06 | C07 | H5 | 0.5° | 0.4° |
| H6 | C09 | C10 | H7 | 0.4° | 0.0° |
| H7 | C10 | C11 | H8 | 0.2° | 0.1° |
| H8 | C11 | C12 | H9 | 0.1° | 0.1° |
| H9 | C12 | C13 | H10 | 0.6° | 0.1° |
| H11 | C15 | C16 | H13 | 127.3° | 55.0° |
| H11 | C15 | C16 | H14 | 112.8° | 65.0° |
| H12 | C15 | C16 | H13 | 112.5° | 65.0° |
| H12 | C15 | C16 | H14 | 7.3° | 175.0° |
| H13 | C16 | N17 | H15 | 59.9° | 63.9° |
| H13 | C16 | N17 | H16 | 180.0° | 60.0° |
| H14 | C16 | N17 | H15 | 60.0° | 176.0° |
| H14 | C16 | N17 | H16 | 60.1° | 60.0° |
