ZRE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F15 | C14 | sing | 1.35Å | 1.36Å | |
| O03 | C02 | doub | 1.21Å | 1.24Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | C04 | sing | 1.47Å | 1.52Å | |
| C02 | O01 | sing | 1.35Å | 1.27Å | |
| C04 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | N08 | sing | 1.39Å | 1.48Å | |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| N08 | C09 | sing | 1.35Å | 1.46Å | |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C12 | sing | 1.51Å | 1.52Å | |
| C09 | O10 | doub | 1.21Å | 1.19Å | |
| C09 | C11 | sing | 1.50Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| N08 | H7 | sing | 0.97Å | 1.00Å | |
| O01 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C14 | C13 | 116.5° | 120.1° |
| F15 | C14 | C04 | 121.9° | 120.1° |
| O03 | C02 | C04 | 117.4° | 120.0° |
| O03 | C02 | O01 | 121.7° | 120.0° |
| C13 | C14 | C04 | 121.5° | 119.8° |
| C14 | C13 | C07 | 117.8° | 120.1° |
| C14 | C13 | H1 | 121.1° | 120.0° |
| C14 | C04 | C02 | 122.3° | 120.1° |
| C14 | C04 | C05 | 120.5° | 119.8° |
| C13 | C07 | N08 | 118.5° | 120.0° |
| C13 | C07 | C06 | 120.0° | 120.1° |
| C07 | C13 | H1 | 121.1° | 119.9° |
| C04 | C02 | O01 | 120.9° | 120.0° |
| C02 | C04 | C05 | 117.2° | 120.1° |
| C02 | O01 | H8 | 109.5° | 117.0° |
| C04 | C05 | C06 | 117.3° | 119.9° |
| C04 | C05 | H6 | 121.4° | 120.0° |
| N08 | C07 | C06 | 121.5° | 119.9° |
| C07 | N08 | C09 | 119.7° | 120.5° |
| C07 | N08 | H7 | 120.2° | 119.7° |
| C07 | C06 | C05 | 122.8° | 120.2° |
| C07 | C06 | C12 | 118.7° | 119.8° |
| N08 | C09 | O10 | 127.5° | 119.6° |
| N08 | C09 | C11 | 110.3° | 120.8° |
| C09 | N08 | H7 | 120.1° | 119.7° |
| C05 | C06 | C12 | 118.5° | 120.0° |
| C06 | C05 | H6 | 121.4° | 120.0° |
| C06 | C12 | C11 | 104.8° | 109.4° |
| C06 | C12 | H2 | 110.6° | 109.4° |
| C06 | C12 | H3 | 110.6° | 109.5° |
| O10 | C09 | C11 | 122.2° | 119.6° |
| C09 | C11 | C12 | 117.9° | 109.9° |
| C09 | C11 | H4 | 107.3° | 109.4° |
| C09 | C11 | H5 | 107.3° | 109.4° |
| C11 | C12 | H2 | 110.6° | 109.5° |
| C11 | C12 | H3 | 110.6° | 109.5° |
| C12 | C11 | H4 | 107.3° | 109.4° |
| C12 | C11 | H5 | 107.3° | 109.4° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C14 | C13 | C04 | 179.6° | 179.7° |
| F15 | C14 | C13 | C07 | 179.8° | 179.7° |
| F15 | C14 | C04 | C02 | 0.9° | 0.3° |
| F15 | C14 | C04 | C05 | 179.5° | 179.7° |
| F15 | C14 | C13 | H1 | 0.1° | 0.4° |
| O03 | C02 | C04 | C14 | 35.4° | 0.0° |
| O03 | C02 | C04 | O01 | 179.6° | 180.0° |
| O03 | C02 | C04 | C05 | 144.2° | 180.0° |
| O03 | C02 | O01 | H8 | 0.0° | 0.0° |
| C14 | C13 | C07 | H1 | 180.0° | 179.9° |
| C13 | C14 | C04 | C02 | 179.6° | 180.0° |
| C13 | C14 | C04 | C05 | 0.0° | 0.0° |
| C14 | C13 | C07 | N08 | 179.7° | 180.0° |
| C14 | C13 | C07 | C06 | 0.7° | 0.1° |
| C04 | C14 | C13 | C07 | 0.6° | 0.0° |
| C14 | C04 | C02 | C05 | 179.6° | 180.0° |
| C14 | C04 | C02 | O01 | 144.1° | 180.0° |
| C14 | C04 | C05 | C06 | 0.5° | 0.1° |
| C04 | C14 | C13 | H1 | 179.4° | 179.9° |
| C14 | C04 | C05 | H6 | 179.5° | 180.0° |
| C13 | C07 | N08 | C06 | 179.0° | 180.0° |
| C13 | C07 | N08 | C09 | 157.9° | 161.4° |
| C13 | C07 | C06 | C05 | 0.2° | 0.0° |
| C13 | C07 | C06 | C12 | 179.7° | 179.9° |
| C13 | C07 | N08 | H7 | 22.2° | 18.5° |
| C02 | C04 | C05 | C06 | 179.1° | 180.0° |
| C02 | C04 | C05 | H6 | 0.9° | 0.1° |
| C04 | C02 | O01 | H8 | 179.6° | 180.0° |
| O01 | C02 | C04 | C05 | 36.2° | 0.0° |
| C04 | C05 | C06 | C07 | 0.4° | 0.1° |
| C04 | C05 | C06 | H6 | 180.0° | 179.9° |
| C04 | C05 | C06 | C12 | 179.7° | 180.0° |
| C07 | N08 | C09 | H7 | 180.0° | 180.0° |
| N08 | C07 | C06 | C05 | 179.1° | 180.0° |
| N08 | C07 | C06 | C12 | 0.7° | 0.0° |
| C07 | N08 | C09 | O10 | 178.1° | 179.3° |
| C07 | N08 | C09 | C11 | 0.5° | 0.7° |
| N08 | C07 | C13 | H1 | 0.3° | 0.1° |
| C06 | C07 | N08 | C09 | 21.1° | 18.6° |
| C07 | C06 | C05 | C12 | 179.9° | 179.9° |
| C07 | C06 | C12 | C11 | 37.7° | 34.0° |
| C06 | C07 | C13 | H1 | 179.3° | 179.9° |
| C07 | C06 | C12 | H2 | 156.9° | 154.0° |
| C07 | C06 | C12 | H3 | 81.6° | 86.0° |
| C07 | C06 | C05 | H6 | 179.5° | 180.0° |
| C06 | C07 | N08 | H7 | 158.9° | 161.4° |
| N08 | C09 | O10 | C11 | 178.4° | 180.0° |
| N08 | C09 | C11 | C12 | 42.1° | 35.2° |
| N08 | C09 | C11 | H4 | 163.3° | 155.3° |
| N08 | C09 | C11 | H5 | 79.1° | 84.9° |
| C05 | C06 | C12 | C11 | 142.2° | 146.1° |
| C05 | C06 | C12 | H2 | 23.0° | 26.1° |
| C05 | C06 | C12 | H3 | 98.5° | 93.9° |
| C06 | C12 | C11 | C09 | 60.6° | 48.6° |
| C06 | C12 | C11 | H2 | 119.3° | 120.0° |
| C06 | C12 | C11 | H3 | 119.3° | 120.0° |
| C06 | C12 | H2 | H3 | 122.2° | 120.0° |
| C06 | C12 | C11 | H4 | 178.2° | 168.7° |
| C06 | C12 | C11 | H5 | 60.6° | 71.5° |
| C12 | C06 | C05 | H6 | 0.3° | 0.1° |
| O10 | C09 | C11 | C12 | 139.2° | 144.8° |
| O10 | C09 | C11 | H4 | 18.0° | 24.7° |
| O10 | C09 | C11 | H5 | 99.6° | 95.1° |
| O10 | C09 | N08 | H7 | 1.9° | 0.7° |
| C09 | C11 | C12 | H4 | 121.2° | 120.1° |
| C09 | C11 | C12 | H5 | 121.2° | 120.1° |
| C09 | C11 | C12 | H2 | 179.8° | 168.6° |
| C09 | C11 | C12 | H3 | 58.7° | 71.4° |
| C09 | C11 | H4 | H5 | 116.2° | 119.8° |
| C11 | C09 | N08 | H7 | 179.5° | 179.3° |
| C11 | C12 | H2 | H3 | 122.1° | 120.0° |
| C12 | C11 | H4 | H5 | 116.2° | 119.8° |
| H2 | C12 | C11 | H4 | 59.0° | 71.3° |
| H2 | C12 | C11 | H5 | 58.6° | 48.5° |
| H3 | C12 | C11 | H4 | 62.5° | 48.7° |
| H3 | C12 | C11 | H5 | 179.9° | 168.5° |
