1ZC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| O10 | C9 | doub | 1.22Å | 1.23Å | |
| C8 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C7 | sing | 1.48Å | 1.49Å | |
| C9 | C11 | sing | 1.48Å | 1.49Å | |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| N16 | C15 | sing | 1.39Å | 1.35Å | |
| C11 | C15 | sing | 1.48Å | 1.43Å | Aromatic |
| C11 | N12 | doub | 1.32Å | 1.30Å | Aromatic |
| C15 | N14 | doub | 1.31Å | 1.30Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N12 | O13 | sing | 1.21Å | 1.39Å | Aromatic |
| N14 | O13 | sing | 1.21Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.08Å | 1.08Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| C4 | H20 | sing | 1.08Å | 1.08Å | |
| N16 | H25 | sing | 0.97Å | 1.00Å | |
| N16 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 117.9° | 117.1° |
| O2 | C1 | H18 | 109.5° | 109.5° |
| O2 | C1 | H17 | 109.5° | 109.5° |
| O2 | C1 | H19 | 109.5° | 109.5° |
| O2 | C3 | C8 | 125.9° | 120.0° |
| O2 | C3 | C4 | 114.3° | 119.9° |
| O10 | C9 | C7 | 118.9° | 120.0° |
| O10 | C9 | C11 | 118.1° | 120.0° |
| C3 | C8 | C7 | 120.7° | 119.8° |
| C8 | C3 | C4 | 119.8° | 120.0° |
| C3 | C8 | H23 | 119.7° | 120.1° |
| C8 | C7 | C9 | 118.1° | 120.1° |
| C8 | C7 | C6 | 118.8° | 119.7° |
| C7 | C8 | H23 | 119.6° | 120.1° |
| C3 | C4 | C5 | 119.9° | 120.3° |
| C3 | C4 | H20 | 120.0° | 119.9° |
| C7 | C9 | C11 | 123.0° | 120.0° |
| C9 | C7 | C6 | 123.1° | 120.2° |
| C9 | C11 | C15 | 126.0° | 128.7° |
| C9 | C11 | N12 | 125.7° | 128.7° |
| C7 | C6 | C5 | 120.5° | 120.0° |
| C7 | C6 | H22 | 119.8° | 120.0° |
| N16 | C15 | C11 | 127.2° | 128.8° |
| N16 | C15 | N14 | 123.1° | 128.7° |
| C15 | N16 | H25 | 109.5° | 119.9° |
| C15 | N16 | H24 | 109.4° | 120.0° |
| C15 | C11 | N12 | 108.3° | 102.5° |
| C11 | C15 | N14 | 109.7° | 102.5° |
| C11 | N12 | O13 | 105.0° | 109.3° |
| C15 | N14 | O13 | 105.2° | 109.5° |
| C4 | C5 | C6 | 120.3° | 120.2° |
| C4 | C5 | H21 | 119.9° | 119.9° |
| C5 | C4 | H20 | 120.1° | 119.9° |
| N12 | O13 | N14 | 111.9° | 116.1° |
| C6 | C5 | H21 | 119.8° | 119.9° |
| C5 | C6 | H22 | 119.8° | 120.0° |
| H18 | C1 | H17 | 109.4° | 109.5° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H17 | C1 | H19 | 109.5° | 109.4° |
| H25 | N16 | H24 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C8 | 12.0° | 179.7° |
| C1 | O2 | C3 | C4 | 168.1° | 0.0° |
| O2 | C1 | H18 | H17 | 120.0° | 120.0° |
| O2 | C1 | H18 | H19 | 120.0° | 120.0° |
| O2 | C1 | H17 | H19 | 120.0° | 120.0° |
| O2 | C3 | C8 | C4 | 179.9° | 179.7° |
| O2 | C3 | C8 | C7 | 180.0° | 179.8° |
| O2 | C3 | C4 | C5 | 180.0° | 179.7° |
| C3 | O2 | C1 | H18 | 180.0° | 180.0° |
| C3 | O2 | C1 | H17 | 60.0° | 60.0° |
| C3 | O2 | C1 | H19 | 60.0° | 60.0° |
| O2 | C3 | C8 | H23 | 0.0° | 0.3° |
| O2 | C3 | C4 | H20 | 0.0° | 0.3° |
| O10 | C9 | C7 | C8 | 17.1° | 0.1° |
| O10 | C9 | C7 | C11 | 180.0° | 180.0° |
| O10 | C9 | C7 | C6 | 163.0° | 179.9° |
| O10 | C9 | C11 | C15 | 15.7° | 0.0° |
| O10 | C9 | C11 | N12 | 164.1° | 179.6° |
| C3 | C8 | C7 | H23 | 180.0° | 180.0° |
| C3 | C8 | C7 | C9 | 180.0° | 180.0° |
| C3 | C8 | C7 | C6 | 0.0° | 0.1° |
| C8 | C3 | C4 | C5 | 0.0° | 0.0° |
| C8 | C3 | C4 | H20 | 179.9° | 180.0° |
| C7 | C8 | C3 | C4 | 0.0° | 0.0° |
| C8 | C7 | C9 | C6 | 179.9° | 179.9° |
| C8 | C7 | C9 | C11 | 162.9° | 179.9° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C8 | C7 | C6 | H22 | 180.0° | 179.9° |
| C3 | C4 | C5 | H20 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H21 | 180.0° | 180.0° |
| C4 | C3 | C8 | H23 | 180.0° | 180.0° |
| C7 | C9 | C11 | C15 | 164.3° | 180.0° |
| C7 | C9 | C11 | N12 | 15.8° | 0.4° |
| C9 | C7 | C6 | C5 | 180.0° | 180.0° |
| C9 | C7 | C6 | H22 | 0.0° | 0.0° |
| C9 | C7 | C8 | H23 | 0.0° | 0.1° |
| C11 | C9 | C7 | C6 | 17.1° | 0.0° |
| C9 | C11 | C15 | N16 | 0.1° | 0.3° |
| C9 | C11 | C15 | N12 | 179.8° | 179.7° |
| C9 | C11 | C15 | N14 | 179.9° | 179.7° |
| C9 | C11 | N12 | O13 | 179.9° | 179.8° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H22 | 180.0° | 180.0° |
| C7 | C6 | C5 | H21 | 179.9° | 179.9° |
| C6 | C7 | C8 | H23 | 180.0° | 179.9° |
| N16 | C15 | C11 | N14 | 180.0° | 180.0° |
| N16 | C15 | C11 | N12 | 180.0° | 180.0° |
| N16 | C15 | N14 | O13 | 180.0° | 180.0° |
| C15 | N16 | H25 | H24 | 120.0° | 179.9° |
| C15 | C11 | N12 | O13 | 0.0° | 0.1° |
| C11 | C15 | N14 | O13 | 0.0° | 0.0° |
| C11 | C15 | N16 | H25 | 180.0° | 0.0° |
| C11 | C15 | N16 | H24 | 60.0° | 179.9° |
| N12 | C11 | C15 | N14 | 0.0° | 0.0° |
| C11 | N12 | O13 | N14 | 0.1° | 0.1° |
| C15 | N14 | O13 | N12 | 0.0° | 0.0° |
| N14 | C15 | N16 | H25 | 0.0° | 180.0° |
| N14 | C15 | N16 | H24 | 120.0° | 0.0° |
| C4 | C5 | C6 | H21 | 180.0° | 180.0° |
| C4 | C5 | C6 | H22 | 180.0° | 180.0° |
| C6 | C5 | C4 | H20 | 180.0° | 180.0° |
| H18 | C1 | H17 | H19 | 120.0° | 120.0° |
| H21 | C5 | C6 | H22 | 0.1° | 0.1° |
| H21 | C5 | C4 | H20 | 0.0° | 0.0° |
