ZRY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.38Å | 1.34Å | |
| C | N1 | doub | 1.31Å | 1.32Å | |
| C1 | C | sing | 1.47Å | 1.45Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.47Å | |
| N | C7 | sing | 1.39Å | 1.41Å | |
| N2 | C7 | doub | 1.31Å | 1.27Å | |
| N3 | N2 | sing | 1.40Å | 1.34Å | |
| C8 | N3 | sing | 1.39Å | 1.41Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | N1 | 123.6° | 125.7° |
| N | C | C1 | 109.6° | 108.5° |
| C | N | C7 | 109.9° | 109.6° |
| C | N | H | 125.1° | 125.2° |
| N1 | C | C1 | 126.8° | 125.8° |
| C | N1 | H2 | 112.0° | 120.0° |
| C | C1 | C2 | 132.4° | 133.5° |
| C | C1 | C6 | 106.9° | 106.9° |
| C1 | C2 | C3 | 118.8° | 119.8° |
| C2 | C1 | C6 | 120.7° | 119.6° |
| C1 | C2 | H3 | 120.6° | 120.1° |
| C2 | C3 | C4 | 120.5° | 120.6° |
| C2 | C3 | H4 | 119.7° | 119.7° |
| C3 | C2 | H3 | 120.6° | 120.1° |
| C3 | C4 | C5 | 120.9° | 120.5° |
| C3 | C4 | H5 | 119.6° | 119.7° |
| C4 | C3 | H4 | 119.7° | 119.7° |
| C4 | C5 | C6 | 118.6° | 119.7° |
| C4 | C5 | H6 | 120.7° | 120.1° |
| C5 | C4 | H5 | 119.6° | 119.8° |
| C5 | C6 | C1 | 120.5° | 119.8° |
| C5 | C6 | C7 | 132.0° | 133.5° |
| C6 | C5 | H6 | 120.7° | 120.1° |
| C1 | C6 | C7 | 107.5° | 106.8° |
| C6 | C7 | N | 106.1° | 108.2° |
| C6 | C7 | N2 | 125.6° | 125.9° |
| N | C7 | N2 | 128.3° | 125.9° |
| C7 | N | H | 125.1° | 125.1° |
| C7 | N2 | N3 | 116.1° | 120.0° |
| N2 | N3 | C8 | 120.2° | 120.0° |
| N2 | N3 | H7 | 119.9° | 120.0° |
| N3 | C8 | C9 | 119.5° | 120.1° |
| N3 | C8 | C13 | 121.4° | 120.1° |
| C8 | N3 | H7 | 119.9° | 120.0° |
| C8 | C9 | C10 | 120.4° | 119.9° |
| C9 | C8 | C13 | 119.1° | 119.8° |
| C8 | C9 | H8 | 119.8° | 120.1° |
| C9 | C10 | C11 | 120.3° | 120.1° |
| C10 | C9 | H8 | 119.8° | 120.0° |
| C9 | C10 | H9 | 119.9° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.1° |
| C11 | C10 | H9 | 119.9° | 119.9° |
| C10 | C11 | H10 | 120.1° | 119.9° |
| C11 | C12 | C13 | 120.5° | 120.1° |
| C12 | C11 | H10 | 120.1° | 119.9° |
| C11 | C12 | H11 | 119.7° | 120.0° |
| C12 | C13 | C8 | 119.9° | 119.9° |
| C13 | C12 | H11 | 119.7° | 119.9° |
| C12 | C13 | H12 | 120.1° | 120.0° |
| C8 | C13 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | N1 | C1 | 178.9° | 179.5° |
| N | C | C1 | C2 | 178.4° | 180.0° |
| N | C | C1 | C6 | 0.3° | 0.4° |
| C | N | C7 | C6 | 1.6° | 0.0° |
| C | N | C7 | H | 180.0° | 179.8° |
| C | N | C7 | N2 | 177.3° | 179.8° |
| N | C | N1 | H2 | 178.9° | 179.6° |
| N1 | C | C1 | C2 | 0.7° | 0.4° |
| N1 | C | C1 | C6 | 178.8° | 180.0° |
| N1 | C | N | C7 | 180.0° | 179.8° |
| N1 | C | N | H | 0.0° | 0.4° |
| C | C1 | C2 | C6 | 177.9° | 179.6° |
| C | C1 | C2 | C3 | 176.8° | 179.4° |
| C | C1 | C6 | C5 | 177.2° | 179.6° |
| C | C1 | C6 | C7 | 1.3° | 0.4° |
| C1 | C | N | C7 | 0.9° | 0.2° |
| C1 | C | N1 | H2 | 0.0° | 0.1° |
| C | C1 | C2 | H3 | 3.2° | 0.1° |
| C1 | C | N | H | 179.1° | 180.0° |
| C1 | C2 | C3 | H3 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C2 | C1 | C6 | C5 | 1.1° | 0.0° |
| C2 | C1 | C6 | C7 | 179.6° | 179.9° |
| C1 | C2 | C3 | H4 | 179.8° | 179.9° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C2 | C1 | C6 | 1.1° | 0.1° |
| C2 | C3 | C4 | H5 | 179.5° | 179.9° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | H6 | 179.5° | 180.0° |
| C4 | C3 | C2 | H3 | 179.7° | 179.5° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.4° | 0.0° |
| C4 | C5 | C6 | C7 | 178.4° | 180.0° |
| C5 | C4 | C3 | H4 | 179.5° | 180.0° |
| C5 | C6 | C1 | C7 | 178.5° | 180.0° |
| C5 | C6 | C7 | N | 176.5° | 179.8° |
| C5 | C6 | C7 | N2 | 4.6° | 0.0° |
| C6 | C5 | C4 | H5 | 179.5° | 180.0° |
| C1 | C6 | C7 | N | 1.8° | 0.2° |
| C1 | C6 | C7 | N2 | 177.2° | 180.0° |
| C1 | C6 | C5 | H6 | 179.7° | 180.0° |
| C6 | C1 | C2 | H3 | 178.9° | 179.5° |
| C6 | C7 | N | N2 | 178.9° | 179.8° |
| C6 | C7 | N2 | N3 | 179.7° | 180.0° |
| C7 | C6 | C5 | H6 | 1.6° | 0.0° |
| C6 | C7 | N | H | 178.4° | 179.8° |
| N | C7 | N2 | N3 | 1.0° | 0.3° |
| C7 | N2 | N3 | C8 | 178.4° | 180.0° |
| C7 | N2 | N3 | H7 | 1.6° | 0.0° |
| N2 | C7 | N | H | 2.8° | 0.0° |
| N2 | N3 | C8 | H7 | 180.0° | 180.0° |
| N2 | N3 | C8 | C9 | 176.4° | 180.0° |
| N2 | N3 | C8 | C13 | 4.2° | 0.2° |
| N3 | C8 | C9 | C13 | 179.3° | 179.8° |
| N3 | C8 | C9 | C10 | 178.5° | 180.0° |
| N3 | C8 | C13 | C12 | 179.6° | 179.7° |
| N3 | C8 | C9 | H8 | 1.4° | 0.1° |
| N3 | C8 | C13 | H12 | 0.4° | 0.2° |
| C8 | C9 | C10 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.7° | 0.0° |
| C9 | C8 | C13 | C12 | 0.2° | 0.5° |
| C9 | C8 | N3 | H7 | 3.6° | 0.0° |
| C8 | C9 | C10 | H9 | 178.3° | 179.9° |
| C9 | C8 | C13 | H12 | 179.8° | 180.0° |
| C9 | C10 | C11 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | C9 | C8 | C13 | 2.1° | 0.2° |
| C9 | C10 | C11 | H10 | 179.3° | 180.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.6° | 0.2° |
| C11 | C10 | C9 | H8 | 178.3° | 180.0° |
| C10 | C11 | C12 | H11 | 177.4° | 180.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.7° |
| C11 | C12 | C13 | C8 | 2.1° | 0.5° |
| C12 | C11 | C10 | H9 | 179.3° | 179.9° |
| C11 | C12 | C13 | H12 | 177.9° | 180.0° |
| C12 | C13 | C8 | H12 | 180.0° | 179.5° |
| C13 | C12 | C11 | H10 | 177.4° | 179.7° |
| C13 | C8 | C9 | H8 | 177.9° | 179.7° |
| C13 | C8 | N3 | H7 | 175.7° | 179.8° |
| C8 | C13 | C12 | H11 | 177.9° | 179.8° |
| H8 | C9 | C10 | H9 | 1.6° | 0.0° |
| H6 | C5 | C4 | H5 | 0.5° | 0.0° |
| H5 | C4 | C3 | H4 | 0.5° | 0.0° |
| H4 | C3 | C2 | H3 | 0.3° | 0.5° |
| H9 | C10 | C11 | H10 | 0.7° | 0.0° |
| H10 | C11 | C12 | H11 | 2.6° | 0.0° |
| H11 | C12 | C13 | H12 | 2.1° | 0.3° |
