ZOM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C4B | sing | 1.74Å | 1.71Å | |
| C2 | N1 | sing | 1.36Å | 1.48Å | Aromatic |
| C5 | N1 | sing | 1.38Å | 1.42Å | Aromatic |
| N1 | C9 | sing | 1.46Å | 1.51Å | |
| C3 | C2 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.40Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | C4 | sing | 1.51Å | 1.55Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.54Å | |
| C1B | C6 | sing | 1.48Å | 1.48Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C8 | C7 | sing | 1.51Å | 1.55Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| OH | C8 | doub | 1.21Å | 1.25Å | |
| C8 | OXT | sing | 1.34Å | 1.30Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C6B | C1B | doub | 1.40Å | 1.41Å | Aromatic |
| C1B | C2B | sing | 1.40Å | 1.40Å | Aromatic |
| C3B | C2B | doub | 1.38Å | 1.43Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.08Å | |
| C4B | C3B | sing | 1.39Å | 1.38Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.08Å | |
| C5B | C4B | doub | 1.38Å | 1.41Å | Aromatic |
| C5B | C6B | sing | 1.38Å | 1.41Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.08Å | |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C4B | C3B | 118.6° | 119.9° |
| CL | C4B | C5B | 118.2° | 119.9° |
| C2 | N1 | C5 | 106.7° | 108.6° |
| C2 | N1 | C9 | 128.8° | 125.7° |
| N1 | C2 | C3 | 106.4° | 108.9° |
| N1 | C2 | C7 | 120.7° | 125.5° |
| C5 | N1 | C9 | 123.3° | 125.7° |
| N1 | C5 | C4 | 105.9° | 107.5° |
| N1 | C5 | C6 | 120.2° | 126.3° |
| N1 | C9 | H9 | 109.5° | 109.4° |
| N1 | C9 | H9A | 109.4° | 109.5° |
| N1 | C9 | H9B | 109.4° | 109.5° |
| C3 | C2 | C7 | 132.8° | 125.6° |
| C2 | C3 | C4 | 109.1° | 107.9° |
| C2 | C3 | H3 | 125.5° | 126.0° |
| C2 | C7 | C8 | 106.6° | 109.5° |
| C2 | C7 | H7 | 110.4° | 109.5° |
| C2 | C7 | H7A | 110.5° | 109.4° |
| C4 | C3 | H3 | 125.5° | 126.1° |
| C3 | C4 | C10 | 125.1° | 126.4° |
| C3 | C4 | C5 | 111.5° | 107.1° |
| C10 | C4 | C5 | 123.2° | 126.5° |
| C4 | C10 | H10 | 109.5° | 109.4° |
| C4 | C10 | H10A | 109.4° | 109.4° |
| C4 | C10 | H10B | 109.5° | 109.4° |
| C4 | C5 | C6 | 133.9° | 126.3° |
| C5 | C6 | C1B | 120.9° | 120.0° |
| C5 | C6 | O6 | 119.2° | 120.0° |
| C1B | C6 | O6 | 119.1° | 120.0° |
| C6 | C1B | C6B | 120.4° | 120.1° |
| C6 | C1B | C2B | 114.6° | 120.1° |
| C8 | C7 | H7 | 110.4° | 109.5° |
| C8 | C7 | H7A | 110.5° | 109.5° |
| C7 | C8 | OH | 112.5° | 120.0° |
| C7 | C8 | OXT | 120.3° | 120.0° |
| H7 | C7 | H7A | 108.5° | 109.4° |
| OH | C8 | OXT | 126.7° | 120.0° |
| C8 | OXT | HOXT | 109.5° | 117.0° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.4° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| C6B | C1B | C2B | 125.0° | 119.7° |
| C1B | C6B | C5B | 120.9° | 119.8° |
| C1B | C6B | H6B | 119.5° | 120.1° |
| C1B | C2B | C3B | 112.2° | 119.9° |
| C1B | C2B | H2B | 123.9° | 120.1° |
| C3B | C2B | H2B | 123.9° | 120.1° |
| C2B | C3B | C4B | 123.9° | 120.1° |
| C2B | C3B | H3B | 118.0° | 120.0° |
| C4B | C3B | H3B | 118.1° | 119.9° |
| C3B | C4B | C5B | 123.2° | 120.3° |
| C4B | C5B | C6B | 114.8° | 120.2° |
| C4B | C5B | H5B | 122.6° | 120.0° |
| C6B | C5B | H5B | 122.6° | 119.9° |
| C5B | C6B | H6B | 119.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C4B | C3B | C2B | 179.3° | 179.9° |
| CL | C4B | C3B | C5B | 177.7° | 180.0° |
| CL | C4B | C3B | H3B | 0.7° | 0.0° |
| CL | C4B | C5B | C6B | 179.3° | 179.8° |
| CL | C4B | C5B | H5B | 0.7° | 0.1° |
| C2 | N1 | C5 | C9 | 168.5° | 179.8° |
| N1 | C2 | C3 | C7 | 175.3° | 180.0° |
| N1 | C2 | C3 | C4 | 6.0° | 0.0° |
| N1 | C2 | C3 | H3 | 174.0° | 180.0° |
| C2 | N1 | C5 | C4 | 5.1° | 0.3° |
| C2 | N1 | C5 | C6 | 175.0° | 180.0° |
| N1 | C2 | C7 | C8 | 85.1° | 95.0° |
| N1 | C2 | C7 | H7 | 34.9° | 25.0° |
| N1 | C2 | C7 | H7A | 154.9° | 145.0° |
| C2 | N1 | C9 | H9 | 180.0° | 90.0° |
| C2 | N1 | C9 | H9A | 60.0° | 150.0° |
| C2 | N1 | C9 | H9B | 60.0° | 30.0° |
| C5 | N1 | C2 | C3 | 6.9° | 0.2° |
| C5 | N1 | C2 | C7 | 177.1° | 179.8° |
| N1 | C5 | C4 | C3 | 1.6° | 0.3° |
| N1 | C5 | C4 | C10 | 173.7° | 179.9° |
| N1 | C5 | C4 | C6 | 179.9° | 179.7° |
| N1 | C5 | C6 | C1B | 161.1° | 87.2° |
| N1 | C5 | C6 | O6 | 29.0° | 92.8° |
| C5 | N1 | C9 | H9 | 14.2° | 90.3° |
| C5 | N1 | C9 | H9A | 105.9° | 29.7° |
| C5 | N1 | C9 | H9B | 134.1° | 149.7° |
| C9 | N1 | C2 | C3 | 174.6° | 180.0° |
| C9 | N1 | C2 | C7 | 9.5° | 0.0° |
| C9 | N1 | C5 | C4 | 173.6° | 179.9° |
| C9 | N1 | C5 | C6 | 6.4° | 0.2° |
| N1 | C9 | H9 | H9A | 120.0° | 120.0° |
| N1 | C9 | H9 | H9B | 120.0° | 120.0° |
| N1 | C9 | H9A | H9B | 120.0° | 120.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C10 | 178.1° | 180.0° |
| C2 | C3 | C4 | C5 | 2.9° | 0.2° |
| C3 | C2 | C7 | C8 | 89.7° | 85.0° |
| C3 | C2 | C7 | H7 | 150.3° | 155.0° |
| C3 | C2 | C7 | H7A | 30.3° | 35.1° |
| C7 | C2 | C3 | C4 | 178.7° | 180.0° |
| C7 | C2 | C3 | H3 | 1.3° | 0.1° |
| C2 | C7 | C8 | H7 | 120.0° | 120.0° |
| C2 | C7 | C8 | H7A | 120.0° | 120.0° |
| C2 | C7 | H7 | H7A | 121.2° | 119.9° |
| C2 | C7 | C8 | OH | 123.9° | 0.0° |
| C2 | C7 | C8 | OXT | 63.6° | 180.0° |
| C3 | C4 | C10 | C5 | 174.6° | 179.7° |
| C3 | C4 | C5 | C6 | 178.5° | 180.0° |
| C3 | C4 | C10 | H10 | 92.8° | 85.4° |
| C3 | C4 | C10 | H10A | 147.2° | 154.6° |
| C3 | C4 | C10 | H10B | 27.2° | 34.6° |
| H3 | C3 | C4 | C10 | 1.9° | 0.0° |
| H3 | C3 | C4 | C5 | 177.0° | 179.7° |
| C10 | C4 | C5 | C6 | 6.2° | 0.2° |
| C4 | C10 | H10 | H10A | 120.0° | 119.9° |
| C4 | C10 | H10 | H10B | 120.0° | 120.0° |
| C4 | C10 | H10A | H10B | 120.0° | 120.0° |
| C4 | C5 | C6 | C1B | 18.8° | 93.2° |
| C4 | C5 | C6 | O6 | 151.1° | 86.8° |
| C5 | C4 | C10 | H10 | 92.6° | 94.4° |
| C5 | C4 | C10 | H10A | 27.4° | 25.6° |
| C5 | C4 | C10 | H10B | 147.4° | 145.6° |
| C5 | C6 | C1B | O6 | 169.9° | 180.0° |
| C5 | C6 | C1B | C6B | 64.1° | 5.4° |
| C5 | C6 | C1B | C2B | 117.4° | 174.4° |
| C6 | C1B | C6B | C2B | 178.3° | 179.7° |
| C6 | C1B | C2B | C3B | 179.6° | 180.0° |
| C6 | C1B | C2B | H2B | 0.4° | 0.1° |
| C6 | C1B | C6B | C5B | 179.8° | 179.7° |
| C6 | C1B | C6B | H6B | 0.2° | 0.3° |
| O6 | C6 | C1B | C6B | 125.9° | 174.6° |
| O6 | C6 | C1B | C2B | 52.5° | 5.6° |
| C8 | C7 | H7 | H7A | 121.2° | 120.0° |
| C7 | C8 | OH | OXT | 171.9° | 180.0° |
| C7 | C8 | OXT | HOXT | 171.3° | 180.0° |
| H7 | C7 | C8 | OH | 116.1° | 120.0° |
| H7 | C7 | C8 | OXT | 56.4° | 60.0° |
| H7A | C7 | C8 | OH | 3.9° | 120.0° |
| H7A | C7 | C8 | OXT | 176.4° | 60.0° |
| OH | C8 | OXT | HOXT | 0.0° | 0.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.1° |
| C6B | C1B | C2B | C3B | 1.2° | 0.3° |
| C6B | C1B | C2B | H2B | 178.8° | 179.8° |
| C1B | C6B | C5B | C4B | 2.2° | 0.6° |
| C1B | C6B | C5B | H6B | 180.0° | 179.5° |
| C1B | C6B | C5B | H5B | 177.8° | 179.7° |
| C1B | C2B | C3B | H2B | 180.0° | 179.9° |
| C1B | C2B | C3B | C4B | 1.9° | 0.0° |
| C1B | C2B | C3B | H3B | 178.1° | 180.0° |
| C2B | C1B | C6B | C5B | 1.6° | 0.6° |
| C2B | C1B | C6B | H6B | 178.5° | 180.0° |
| C2B | C3B | C4B | H3B | 180.0° | 179.9° |
| C2B | C3B | C4B | C5B | 3.0° | 0.0° |
| H2B | C2B | C3B | C4B | 178.1° | 179.9° |
| H2B | C2B | C3B | H3B | 1.9° | 0.0° |
| C3B | C4B | C5B | C6B | 3.0° | 0.3° |
| C3B | C4B | C5B | H5B | 177.1° | 180.0° |
| H3B | C3B | C4B | C5B | 177.1° | 180.0° |
| C4B | C5B | C6B | H5B | 180.0° | 179.7° |
| C4B | C5B | C6B | H6B | 177.8° | 180.0° |
| H5B | C5B | C6B | H6B | 2.2° | 0.3° |
