ZHY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C01 | sing | 1.35Å | 1.33Å | |
| O02 | C01 | doub | 1.22Å | 1.23Å | |
| C01 | C8 | sing | 1.48Å | 1.50Å | |
| C7 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | O2 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.48Å | |
| O2 | C05 | sing | 1.36Å | 1.37Å | |
| C5 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N | sing | 1.33Å | 1.35Å | Aromatic |
| C1 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| N | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C06 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | O1 | sing | 1.43Å | 1.43Å | |
| N5 | C | doub | 1.32Å | 1.34Å | Aromatic |
| O1 | C04 | sing | 1.36Å | 1.38Å | |
| C6 | C | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | N8 | sing | 1.39Å | 1.38Å | |
| C04 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | N8 | sing | 1.40Å | 1.42Å | |
| C10 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | O | sing | 1.36Å | 1.37Å | |
| O | C13 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å | |
| N8 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C01 | O02 | 122.5° | 120.0° |
| N1 | C01 | C8 | 118.1° | 120.0° |
| C01 | N1 | H18 | 120.0° | 120.0° |
| C01 | N1 | H19 | 120.0° | 120.1° |
| O02 | C01 | C8 | 119.4° | 120.0° |
| C01 | C8 | C7 | 121.4° | 120.0° |
| C01 | C8 | C9 | 120.1° | 120.1° |
| C8 | C7 | C2 | 120.7° | 119.9° |
| C7 | C8 | C9 | 118.4° | 119.9° |
| C8 | C7 | H4 | 119.6° | 120.0° |
| C7 | C2 | C4 | 121.2° | 120.1° |
| C7 | C2 | H2 | 119.4° | 120.0° |
| C2 | C7 | H4 | 119.7° | 120.0° |
| C8 | C9 | C3 | 120.6° | 120.0° |
| C8 | C9 | H5 | 119.7° | 120.0° |
| C2 | C4 | C3 | 117.8° | 120.0° |
| C2 | C4 | C5 | 121.3° | 120.0° |
| C4 | C2 | H2 | 119.4° | 120.0° |
| C9 | C3 | C4 | 121.3° | 120.1° |
| C9 | C3 | H3 | 119.3° | 120.0° |
| C3 | C9 | H5 | 119.7° | 120.0° |
| C11 | O2 | C05 | 118.1° | 117.0° |
| O2 | C11 | H12 | 109.5° | 109.5° |
| O2 | C11 | H13 | 109.5° | 109.4° |
| O2 | C11 | H14 | 109.5° | 109.5° |
| C3 | C4 | C5 | 120.9° | 120.0° |
| C4 | C3 | H3 | 119.4° | 119.9° |
| C4 | C5 | C1 | 122.7° | 120.0° |
| C4 | C5 | N | 116.6° | 120.1° |
| O2 | C05 | C06 | 124.7° | 120.0° |
| O2 | C05 | C04 | 115.4° | 120.0° |
| C1 | C5 | N | 120.7° | 119.9° |
| C5 | C1 | N5 | 122.1° | 120.0° |
| C5 | C1 | H1 | 118.9° | 120.0° |
| C5 | N | C6 | 117.8° | 119.8° |
| C1 | N5 | C | 117.1° | 120.2° |
| N5 | C1 | H1 | 118.9° | 120.0° |
| C06 | C05 | C04 | 119.9° | 120.0° |
| C05 | C06 | C10 | 120.1° | 120.0° |
| C05 | C06 | H7 | 119.9° | 120.0° |
| C05 | C04 | O1 | 120.1° | 120.0° |
| C05 | C04 | C03 | 119.6° | 119.9° |
| N | C6 | C | 120.7° | 120.0° |
| N | C6 | N8 | 116.8° | 120.0° |
| C06 | C10 | N8 | 123.2° | 120.0° |
| C06 | C10 | C02 | 120.0° | 120.1° |
| C10 | C06 | H7 | 119.9° | 120.0° |
| C12 | O1 | C04 | 117.3° | 117.0° |
| O1 | C12 | H15 | 109.5° | 109.5° |
| O1 | C12 | H16 | 109.4° | 109.5° |
| O1 | C12 | H17 | 109.4° | 109.5° |
| N5 | C | C6 | 121.6° | 120.0° |
| N5 | C | H8 | 119.2° | 120.0° |
| O1 | C04 | C03 | 119.8° | 120.0° |
| C | C6 | N8 | 122.3° | 120.0° |
| C6 | C | H8 | 119.2° | 120.0° |
| C6 | N8 | C10 | 132.6° | 120.0° |
| C6 | N8 | H20 | 113.7° | 120.0° |
| C04 | C03 | C02 | 120.1° | 120.0° |
| C04 | C03 | O | 115.4° | 120.0° |
| N8 | C10 | C02 | 116.6° | 119.9° |
| C10 | N8 | H20 | 113.7° | 120.0° |
| C10 | C02 | C03 | 120.2° | 120.0° |
| C10 | C02 | H6 | 119.9° | 120.0° |
| C02 | C03 | O | 124.4° | 120.0° |
| C03 | C02 | H6 | 119.9° | 120.0° |
| C03 | O | C13 | 117.8° | 117.0° |
| O | C13 | H9 | 109.5° | 109.5° |
| O | C13 | H10 | 109.5° | 109.4° |
| O | C13 | H11 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H9 | C13 | H11 | 109.5° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H18 | N1 | H19 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C01 | O02 | C8 | 178.4° | 180.0° |
| N1 | C01 | C8 | C7 | 11.0° | 180.0° |
| N1 | C01 | C8 | C9 | 165.3° | 0.0° |
| C01 | N1 | H18 | H19 | 180.0° | 180.0° |
| O02 | C01 | C8 | C7 | 170.5° | 0.0° |
| O02 | C01 | C8 | C9 | 13.2° | 180.0° |
| O02 | C01 | N1 | H18 | 0.0° | 180.0° |
| O02 | C01 | N1 | H19 | 180.0° | 0.0° |
| C01 | C8 | C7 | C9 | 176.4° | 180.0° |
| C01 | C8 | C7 | C2 | 175.2° | 180.0° |
| C01 | C8 | C9 | C3 | 175.1° | 179.7° |
| C01 | C8 | C7 | H4 | 4.8° | 0.1° |
| C01 | C8 | C9 | H5 | 4.9° | 0.3° |
| C8 | C01 | N1 | H18 | 178.5° | 0.0° |
| C8 | C01 | N1 | H19 | 1.5° | 180.0° |
| C8 | C7 | C2 | H4 | 180.0° | 180.0° |
| C8 | C7 | C2 | C4 | 0.2° | 0.0° |
| C7 | C8 | C9 | C3 | 1.3° | 0.3° |
| C8 | C7 | C2 | H2 | 179.9° | 179.8° |
| C7 | C8 | C9 | H5 | 178.7° | 179.7° |
| C2 | C7 | C8 | C9 | 1.2° | 0.0° |
| C7 | C2 | C4 | H2 | 180.0° | 179.7° |
| C7 | C2 | C4 | C3 | 0.7° | 0.3° |
| C7 | C2 | C4 | C5 | 179.6° | 179.8° |
| C8 | C9 | C3 | H5 | 180.0° | 180.0° |
| C8 | C9 | C3 | C4 | 0.4° | 0.6° |
| C8 | C9 | C3 | H3 | 179.6° | 180.0° |
| C9 | C8 | C7 | H4 | 178.8° | 180.0° |
| C2 | C4 | C3 | C9 | 0.6° | 0.6° |
| C2 | C4 | C3 | C5 | 179.7° | 179.9° |
| C2 | C4 | C5 | C1 | 14.8° | 5.0° |
| C2 | C4 | C5 | N | 167.2° | 175.0° |
| C2 | C4 | C3 | H3 | 179.4° | 180.0° |
| C4 | C2 | C7 | H4 | 179.8° | 180.0° |
| C9 | C3 | C4 | H3 | 180.0° | 179.4° |
| C9 | C3 | C4 | C5 | 179.7° | 179.5° |
| C11 | O2 | C05 | C06 | 11.3° | 0.1° |
| C11 | O2 | C05 | C04 | 169.1° | 179.8° |
| O2 | C11 | H12 | H13 | 120.0° | 120.0° |
| O2 | C11 | H12 | H14 | 120.0° | 120.0° |
| O2 | C11 | H13 | H14 | 120.0° | 120.0° |
| C3 | C4 | C5 | C1 | 165.6° | 175.1° |
| C3 | C4 | C5 | N | 12.4° | 5.0° |
| C3 | C4 | C2 | H2 | 179.2° | 180.0° |
| C4 | C3 | C9 | H5 | 179.6° | 179.4° |
| C4 | C5 | C1 | N | 177.9° | 180.0° |
| C4 | C5 | C1 | N5 | 176.7° | 180.0° |
| C4 | C5 | N | C6 | 176.8° | 180.0° |
| C4 | C5 | C1 | H1 | 3.3° | 0.3° |
| C5 | C4 | C2 | H2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H3 | 0.3° | 0.1° |
| O2 | C05 | C06 | C04 | 179.5° | 179.8° |
| O2 | C05 | C06 | C10 | 178.5° | 180.0° |
| O2 | C05 | C04 | O1 | 11.2° | 0.1° |
| O2 | C05 | C04 | C03 | 176.9° | 179.9° |
| O2 | C05 | C06 | H7 | 1.5° | 0.1° |
| C05 | O2 | C11 | H12 | 180.0° | 180.0° |
| C05 | O2 | C11 | H13 | 60.0° | 60.0° |
| C05 | O2 | C11 | H14 | 60.0° | 59.9° |
| C5 | C1 | N5 | H1 | 180.0° | 179.7° |
| C1 | C5 | N | C6 | 1.3° | 0.0° |
| C5 | C1 | N5 | C | 0.0° | 0.2° |
| N | C5 | C1 | N5 | 1.2° | 0.0° |
| C5 | N | C6 | C | 0.2° | 0.3° |
| C5 | N | C6 | N8 | 175.5° | 179.7° |
| N | C5 | C1 | H1 | 178.7° | 179.7° |
| C1 | N5 | C | C6 | 1.0° | 0.5° |
| C1 | N5 | C | H8 | 179.0° | 179.5° |
| C05 | C06 | C10 | H7 | 180.0° | 180.0° |
| C06 | C05 | C04 | O1 | 169.2° | 179.7° |
| C06 | C05 | C04 | C03 | 2.7° | 0.2° |
| C05 | C06 | C10 | N8 | 174.6° | 180.0° |
| C05 | C06 | C10 | C02 | 0.0° | 0.0° |
| C04 | C05 | C06 | C10 | 1.0° | 0.2° |
| C05 | C04 | O1 | C12 | 89.3° | 90.0° |
| C05 | C04 | O1 | C03 | 171.9° | 180.0° |
| C05 | C04 | C03 | C02 | 3.4° | 0.0° |
| C05 | C04 | C03 | O | 174.1° | 180.0° |
| C04 | C05 | C06 | H7 | 179.0° | 179.8° |
| N | C6 | C | N5 | 1.0° | 0.6° |
| N | C6 | C | N8 | 175.0° | 179.4° |
| N | C6 | N8 | C10 | 5.4° | 172.6° |
| N | C6 | C | H8 | 179.0° | 179.5° |
| N | C6 | N8 | H20 | 174.5° | 7.4° |
| C06 | C10 | N8 | C6 | 21.5° | 137.7° |
| C06 | C10 | N8 | C02 | 174.8° | 179.9° |
| C06 | C10 | C02 | C03 | 0.7° | 0.2° |
| C06 | C10 | C02 | H6 | 179.3° | 180.0° |
| C06 | C10 | N8 | H20 | 158.5° | 42.3° |
| C12 | O1 | C04 | C03 | 98.8° | 90.0° |
| O1 | C12 | H15 | H16 | 120.0° | 120.0° |
| O1 | C12 | H15 | H17 | 120.0° | 120.0° |
| O1 | C12 | H16 | H17 | 120.0° | 120.0° |
| N5 | C | C6 | H8 | 180.0° | 180.0° |
| N5 | C | C6 | N8 | 174.0° | 180.0° |
| C | N5 | C1 | H1 | 179.9° | 180.0° |
| O1 | C04 | C03 | C02 | 168.5° | 180.0° |
| O1 | C04 | C03 | O | 13.9° | 0.0° |
| C04 | O1 | C12 | H15 | 180.0° | 60.0° |
| C04 | O1 | C12 | H16 | 60.0° | 60.0° |
| C04 | O1 | C12 | H17 | 60.0° | 180.0° |
| C | C6 | N8 | C10 | 169.8° | 8.0° |
| C | C6 | N8 | H20 | 10.2° | 172.0° |
| C6 | N8 | C10 | H20 | 180.0° | 180.0° |
| C6 | N8 | C10 | C02 | 163.7° | 42.2° |
| N8 | C6 | C | H8 | 5.9° | 0.1° |
| C04 | C03 | C02 | C10 | 2.4° | 0.2° |
| C04 | C03 | C02 | O | 177.3° | 180.0° |
| C04 | C03 | O | C13 | 175.6° | 180.0° |
| C04 | C03 | C02 | H6 | 177.6° | 180.0° |
| N8 | C10 | C02 | C03 | 174.3° | 179.8° |
| N8 | C10 | C02 | H6 | 5.8° | 0.1° |
| N8 | C10 | C06 | H7 | 5.4° | 0.0° |
| C10 | C02 | C03 | H6 | 180.0° | 179.7° |
| C10 | C02 | C03 | O | 174.9° | 179.7° |
| C02 | C10 | C06 | H7 | 180.0° | 180.0° |
| C02 | C10 | N8 | H20 | 16.3° | 137.8° |
| C02 | C03 | O | C13 | 1.8° | 0.0° |
| O | C03 | C02 | H6 | 5.1° | 0.0° |
| C03 | O | C13 | H9 | 180.0° | 60.0° |
| C03 | O | C13 | H10 | 60.0° | 60.0° |
| C03 | O | C13 | H11 | 60.0° | 179.9° |
| O | C13 | H9 | H10 | 120.0° | 120.0° |
| O | C13 | H9 | H11 | 120.0° | 120.0° |
| O | C13 | H10 | H11 | 120.0° | 120.0° |
| H2 | C2 | C7 | H4 | 0.1° | 0.3° |
| H3 | C3 | C9 | H5 | 0.4° | 0.0° |
| H9 | C13 | H10 | H11 | 120.0° | 120.0° |
| H12 | C11 | H13 | H14 | 120.0° | 120.0° |
| H15 | C12 | H16 | H17 | 120.0° | 120.0° |
