ZR9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C15 | C14 | doub | 1.37Å | 1.39Å | Aromatic |
| C15 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C02 | C04 | sing | 1.47Å | 1.52Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C04 | C05 | doub | 1.40Å | 1.37Å | Aromatic |
| C07 | N08 | sing | 1.38Å | 1.48Å | |
| C07 | C06 | doub | 1.41Å | 1.35Å | Aromatic |
| N08 | C09 | sing | 1.34Å | 1.51Å | |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C12 | sing | 1.47Å | 1.48Å | |
| C09 | O10 | doub | 1.22Å | 1.18Å | |
| C09 | N11 | sing | 1.34Å | 1.47Å | |
| C12 | N11 | sing | 1.35Å | 1.43Å | |
| C12 | O13 | doub | 1.22Å | 1.19Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| N08 | H4 | sing | 0.97Å | 1.00Å | |
| N11 | H5 | sing | 0.97Å | 1.00Å | |
| O03 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C04 | 119.2° | 120.0° |
| O01 | C02 | O03 | 121.1° | 120.0° |
| C14 | C15 | C04 | 119.8° | 120.6° |
| C15 | C14 | C07 | 118.9° | 120.1° |
| C15 | C14 | H1 | 120.5° | 120.0° |
| C14 | C15 | H2 | 120.1° | 119.7° |
| C15 | C04 | C02 | 121.8° | 119.9° |
| C15 | C04 | C05 | 121.3° | 120.1° |
| C04 | C15 | H2 | 120.1° | 119.7° |
| C14 | C07 | N08 | 119.0° | 121.4° |
| C14 | C07 | C06 | 120.2° | 119.8° |
| C07 | C14 | H1 | 120.5° | 119.9° |
| C04 | C02 | O03 | 119.7° | 120.1° |
| C02 | C04 | C05 | 116.9° | 120.0° |
| C02 | O03 | H6 | 109.5° | 117.1° |
| C04 | C05 | C06 | 118.6° | 119.2° |
| C04 | C05 | H3 | 120.7° | 120.3° |
| N08 | C07 | C06 | 120.7° | 118.7° |
| C07 | N08 | C09 | 121.3° | 120.7° |
| C07 | N08 | H4 | 119.3° | 119.7° |
| C07 | C06 | C05 | 121.1° | 120.1° |
| C07 | C06 | C12 | 121.4° | 118.2° |
| N08 | C09 | O10 | 124.7° | 118.6° |
| N08 | C09 | N11 | 114.1° | 122.9° |
| C09 | N08 | H4 | 119.4° | 119.6° |
| C05 | C06 | C12 | 117.4° | 121.6° |
| C06 | C05 | H3 | 120.7° | 120.4° |
| C06 | C12 | N11 | 119.1° | 118.2° |
| C06 | C12 | O13 | 120.8° | 120.9° |
| O10 | C09 | N11 | 121.2° | 118.5° |
| C09 | N11 | C12 | 123.3° | 121.2° |
| C09 | N11 | H5 | 118.4° | 119.4° |
| N11 | C12 | O13 | 120.1° | 120.9° |
| C12 | N11 | H5 | 118.4° | 119.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C04 | C15 | 2.6° | 180.0° |
| O01 | C02 | C04 | O03 | 177.6° | 179.9° |
| O01 | C02 | C04 | C05 | 176.2° | 0.0° |
| O01 | C02 | O03 | H6 | 0.0° | 0.1° |
| C14 | C15 | C04 | H2 | 180.0° | 180.0° |
| C15 | C14 | C07 | H1 | 180.0° | 180.0° |
| C14 | C15 | C04 | C02 | 179.5° | 180.0° |
| C14 | C15 | C04 | C05 | 0.7° | 0.0° |
| C15 | C14 | C07 | N08 | 179.6° | 180.0° |
| C15 | C14 | C07 | C06 | 0.1° | 0.0° |
| C04 | C15 | C14 | C07 | 0.2° | 0.0° |
| C15 | C04 | C02 | C05 | 178.8° | 180.0° |
| C15 | C04 | C02 | O03 | 179.8° | 0.0° |
| C15 | C04 | C05 | C06 | 1.0° | 0.1° |
| C04 | C15 | C14 | H1 | 179.8° | 180.0° |
| C15 | C04 | C05 | H3 | 179.0° | 180.0° |
| C14 | C07 | N08 | C06 | 179.6° | 180.0° |
| C14 | C07 | N08 | C09 | 179.6° | 180.0° |
| C14 | C07 | C06 | C05 | 0.4° | 0.0° |
| C14 | C07 | C06 | C12 | 179.7° | 180.0° |
| C07 | C14 | C15 | H2 | 179.8° | 180.0° |
| C14 | C07 | N08 | H4 | 0.4° | 0.0° |
| C02 | C04 | C05 | C06 | 179.8° | 180.0° |
| C02 | C04 | C15 | H2 | 0.5° | 0.0° |
| C02 | C04 | C05 | H3 | 0.2° | 0.1° |
| C04 | C02 | O03 | H6 | 177.5° | 180.0° |
| O03 | C02 | C04 | C05 | 1.4° | 179.9° |
| C04 | C05 | C06 | C07 | 0.9° | 0.1° |
| C04 | C05 | C06 | H3 | 180.0° | 179.9° |
| C04 | C05 | C06 | C12 | 179.8° | 179.9° |
| C05 | C04 | C15 | H2 | 179.3° | 180.0° |
| C07 | N08 | C09 | H4 | 180.0° | 180.0° |
| N08 | C07 | C06 | C05 | 179.9° | 180.0° |
| N08 | C07 | C06 | C12 | 0.7° | 0.0° |
| C07 | N08 | C09 | O10 | 178.9° | 179.9° |
| C07 | N08 | C09 | N11 | 0.4° | 0.1° |
| N08 | C07 | C14 | H1 | 0.4° | 0.0° |
| C06 | C07 | N08 | C09 | 0.8° | 0.0° |
| C07 | C06 | C05 | C12 | 179.4° | 180.0° |
| C07 | C06 | C12 | N11 | 0.2° | 0.0° |
| C07 | C06 | C12 | O13 | 179.4° | 179.7° |
| C06 | C07 | C14 | H1 | 179.9° | 180.0° |
| C07 | C06 | C05 | H3 | 179.1° | 180.0° |
| C06 | C07 | N08 | H4 | 179.1° | 180.0° |
| N08 | C09 | O10 | N11 | 179.2° | 179.9° |
| N08 | C09 | N11 | C12 | 0.1° | 0.1° |
| N08 | C09 | N11 | H5 | 179.9° | 179.7° |
| C05 | C06 | C12 | N11 | 179.6° | 180.0° |
| C05 | C06 | C12 | O13 | 0.1° | 0.3° |
| C06 | C12 | N11 | C09 | 0.2° | 0.0° |
| C06 | C12 | N11 | O13 | 179.6° | 179.8° |
| C12 | C06 | C05 | H3 | 0.2° | 0.0° |
| C06 | C12 | N11 | H5 | 179.8° | 179.7° |
| O10 | C09 | N11 | C12 | 179.4° | 179.9° |
| O10 | C09 | N08 | H4 | 1.2° | 0.0° |
| O10 | C09 | N11 | H5 | 0.6° | 0.2° |
| C09 | N11 | C12 | H5 | 180.0° | 179.7° |
| C09 | N11 | C12 | O13 | 179.9° | 179.8° |
| N11 | C09 | N08 | H4 | 179.6° | 179.9° |
| O13 | C12 | N11 | H5 | 0.1° | 0.1° |
| H1 | C14 | C15 | H2 | 0.2° | 0.1° |
