4ZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.41Å | 1.46Å | Aromatic |
| C17 | C09 | sing | 1.47Å | 1.47Å | |
| C12 | N11 | sing | 1.35Å | 1.42Å | |
| N07 | N08 | sing | 1.40Å | 1.40Å | |
| N07 | C06 | sing | 1.37Å | 1.43Å | |
| C09 | C06 | doub | 1.40Å | 1.36Å | |
| C09 | C10 | sing | 1.41Å | 1.50Å | |
| N08 | C04 | sing | 1.38Å | 1.44Å | |
| N11 | C10 | doub | 1.31Å | 1.31Å | |
| C06 | C05 | sing | 1.41Å | 1.49Å | |
| C04 | C05 | doub | 1.36Å | 1.38Å | |
| C04 | C02 | sing | 1.48Å | 1.47Å | |
| O01 | C02 | doub | 1.21Å | 1.36Å | |
| C02 | O03 | sing | 1.35Å | 1.22Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| O03 | H4 | sing | 0.97Å | 0.95Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| N07 | H9 | sing | 0.97Å | 1.00Å | |
| N08 | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 121.6° | 120.4° |
| C15 | C14 | C13 | 121.0° | 120.9° |
| C14 | C15 | H3 | 119.2° | 119.8° |
| C15 | C14 | H12 | 119.5° | 119.6° |
| C15 | C16 | C17 | 118.9° | 119.7° |
| C16 | C15 | H3 | 119.2° | 119.9° |
| C15 | C16 | H13 | 120.5° | 120.2° |
| C14 | C13 | C12 | 117.9° | 119.9° |
| C14 | C13 | H2 | 121.0° | 120.1° |
| C13 | C14 | H12 | 119.5° | 119.6° |
| C16 | C17 | C12 | 119.1° | 120.3° |
| C16 | C17 | C09 | 135.2° | 134.5° |
| C17 | C16 | H13 | 120.5° | 120.2° |
| C13 | C12 | C17 | 121.4° | 118.9° |
| C13 | C12 | N11 | 127.6° | 133.0° |
| C12 | C13 | H2 | 121.1° | 120.0° |
| C12 | C17 | C09 | 105.7° | 105.2° |
| C17 | C12 | N11 | 111.0° | 108.1° |
| C17 | C09 | C06 | 135.5° | 127.5° |
| C17 | C09 | C10 | 102.7° | 105.0° |
| C12 | N11 | C10 | 106.2° | 112.2° |
| N08 | N07 | C06 | 107.0° | 107.6° |
| N07 | N08 | C04 | 106.3° | 108.2° |
| N08 | N07 | H9 | 110.1° | 126.1° |
| N07 | N08 | H10 | 110.3° | 125.9° |
| N07 | C06 | C09 | 128.0° | 126.2° |
| N07 | C06 | C05 | 104.7° | 107.5° |
| C06 | N07 | H9 | 110.1° | 126.3° |
| C06 | C09 | C10 | 117.9° | 127.5° |
| C09 | C06 | C05 | 126.7° | 126.2° |
| C09 | C10 | N11 | 114.4° | 109.5° |
| C09 | C10 | H1 | 122.8° | 125.3° |
| N08 | C04 | C05 | 109.5° | 108.6° |
| N08 | C04 | C02 | 119.4° | 125.7° |
| C04 | N08 | H10 | 110.3° | 125.9° |
| N11 | C10 | H1 | 122.8° | 125.2° |
| C06 | C05 | C04 | 106.2° | 108.1° |
| C06 | C05 | H6 | 126.9° | 125.9° |
| C05 | C04 | C02 | 130.1° | 125.7° |
| C04 | C05 | H6 | 126.9° | 125.9° |
| C04 | C02 | O01 | 118.1° | 120.0° |
| C04 | C02 | O03 | 123.6° | 120.0° |
| O01 | C02 | O03 | 115.0° | 120.0° |
| C02 | O03 | H4 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.0° | 0.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.0° |
| C15 | C14 | C13 | H2 | 179.5° | 180.0° |
| C14 | C15 | C16 | H13 | 179.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.7° | 0.0° |
| C15 | C16 | C17 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 1.3° | 0.0° |
| C15 | C16 | C17 | C09 | 178.6° | 180.0° |
| C16 | C15 | C14 | H12 | 179.4° | 180.0° |
| C14 | C13 | C12 | H2 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.8° | 0.0° |
| C14 | C13 | C12 | N11 | 178.7° | 180.0° |
| C13 | C14 | C15 | H3 | 179.4° | 180.0° |
| C16 | C17 | C12 | C13 | 1.2° | 0.0° |
| C16 | C17 | C12 | C09 | 179.9° | 180.0° |
| C16 | C17 | C12 | N11 | 179.5° | 180.0° |
| C16 | C17 | C09 | C06 | 23.2° | 0.1° |
| C16 | C17 | C09 | C10 | 179.2° | 179.9° |
| C17 | C16 | C15 | H3 | 179.0° | 180.0° |
| C13 | C12 | C17 | N11 | 178.2° | 180.0° |
| C13 | C12 | C17 | C09 | 178.7° | 180.0° |
| C13 | C12 | N11 | C10 | 178.1° | 179.9° |
| C12 | C13 | C14 | H12 | 179.5° | 180.0° |
| C12 | C17 | C09 | C06 | 156.7° | 179.9° |
| C12 | C17 | C09 | C10 | 0.7° | 0.2° |
| C17 | C12 | N11 | C10 | 0.0° | 0.1° |
| C17 | C12 | C13 | H2 | 179.2° | 180.0° |
| C12 | C17 | C16 | H13 | 178.7° | 180.0° |
| C09 | C17 | C12 | N11 | 0.5° | 0.0° |
| C17 | C09 | C06 | N07 | 4.7° | 0.0° |
| C17 | C09 | C06 | C10 | 153.4° | 180.0° |
| C17 | C09 | C10 | N11 | 0.8° | 0.2° |
| C17 | C09 | C06 | C05 | 174.4° | 180.0° |
| C17 | C09 | C10 | H1 | 179.2° | 180.0° |
| C09 | C17 | C16 | H13 | 1.4° | 0.1° |
| C12 | N11 | C10 | C09 | 0.5° | 0.2° |
| C12 | N11 | C10 | H1 | 179.5° | 180.0° |
| N11 | C12 | C13 | H2 | 1.3° | 0.1° |
| N08 | N07 | C06 | H9 | 119.6° | 179.6° |
| N08 | N07 | C06 | C09 | 163.4° | 179.8° |
| N07 | N08 | C04 | H10 | 119.5° | 179.6° |
| N08 | N07 | C06 | C05 | 25.1° | 0.2° |
| N07 | N08 | C04 | C05 | 13.1° | 0.4° |
| N07 | N08 | C04 | C02 | 176.9° | 179.8° |
| N07 | C06 | C09 | C05 | 169.7° | 180.0° |
| N07 | C06 | C09 | C10 | 148.7° | 180.0° |
| C06 | N07 | N08 | C04 | 23.8° | 0.4° |
| N07 | C06 | C05 | C04 | 16.8° | 0.0° |
| N07 | C06 | C05 | H6 | 163.2° | 180.0° |
| C06 | N07 | N08 | H10 | 143.3° | 180.0° |
| C06 | C09 | C10 | N11 | 162.0° | 179.8° |
| C09 | C06 | C05 | C04 | 171.6° | 180.0° |
| C06 | C09 | C10 | H1 | 18.0° | 0.0° |
| C09 | C06 | C05 | H6 | 8.5° | 0.0° |
| C09 | C06 | N07 | H9 | 43.8° | 0.1° |
| C09 | C10 | N11 | H1 | 180.0° | 179.8° |
| C10 | C09 | C06 | C05 | 21.0° | 0.0° |
| N08 | C04 | C05 | C06 | 2.6° | 0.3° |
| N08 | C04 | C05 | C02 | 168.6° | 179.7° |
| N08 | C04 | C02 | O01 | 4.0° | 179.7° |
| N08 | C04 | C02 | O03 | 154.2° | 0.3° |
| N08 | C04 | C05 | H6 | 177.4° | 179.8° |
| C04 | N08 | N07 | H9 | 143.4° | 180.0° |
| C06 | C05 | C04 | H6 | 180.0° | 179.9° |
| C06 | C05 | C04 | C02 | 166.1° | 180.0° |
| C05 | C06 | N07 | H9 | 144.7° | 179.8° |
| C05 | C04 | C02 | O01 | 171.7° | 0.0° |
| C05 | C04 | C02 | O03 | 13.5° | 179.9° |
| C05 | C04 | N08 | H10 | 132.6° | 180.0° |
| C04 | C02 | O01 | O03 | 160.0° | 179.9° |
| C04 | C02 | O03 | H4 | 158.8° | 180.0° |
| C02 | C04 | C05 | H6 | 14.0° | 0.1° |
| C02 | C04 | N08 | H10 | 57.4° | 0.2° |
| O01 | C02 | O03 | H4 | 0.0° | 0.1° |
| H2 | C13 | C14 | H12 | 0.5° | 0.0° |
| H3 | C15 | C14 | H12 | 0.6° | 0.0° |
| H3 | C15 | C16 | H13 | 1.0° | 0.0° |
| H9 | N07 | N08 | H10 | 97.1° | 0.4° |






