TZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | sing | 1.48Å | 1.33Å | |
| N1 | O1 | sing | 1.22Å | 1.42Å | |
| N1 | O2 | doub | 1.22Å | 1.41Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.73Å | |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C3 | sing | 1.51Å | 1.53Å | |
| C8 | C12 | sing | 1.51Å | 1.53Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| O4 | C12 | doub | 1.21Å | 1.25Å | |
| C12 | O5 | sing | 1.34Å | 1.25Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C9 | sing | 1.51Å | 1.53Å | |
| C11 | O7 | doub | 1.21Å | 1.24Å | |
| C11 | O6 | sing | 1.34Å | 1.25Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| N2 | HN2A | sing | 1.01Å | 1.00Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | O1 | 120.5° | 120.0° |
| C6 | N1 | O2 | 119.3° | 120.0° |
| N1 | C6 | C5 | 121.7° | 120.0° |
| N1 | C6 | C1 | 118.4° | 120.0° |
| O1 | N1 | O2 | 119.9° | 120.0° |
| C5 | C4 | C3 | 120.4° | 120.0° |
| C4 | C5 | C6 | 119.6° | 119.9° |
| C4 | C5 | CL1 | 118.8° | 120.1° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C4 | C3 | C7 | 116.9° | 120.0° |
| C4 | C3 | C2 | 119.9° | 120.1° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C6 | C5 | CL1 | 121.5° | 120.0° |
| C5 | C6 | C1 | 119.9° | 120.0° |
| C6 | C1 | C2 | 120.8° | 120.0° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C8 | C7 | C3 | 109.3° | 109.4° |
| C7 | C8 | C12 | 108.8° | 109.4° |
| C7 | C8 | N2 | 108.5° | 109.5° |
| C8 | C7 | H7 | 109.5° | 109.4° |
| C8 | C7 | H7A | 109.5° | 109.5° |
| C7 | C8 | H8 | 111.1° | 109.4° |
| C7 | C3 | C2 | 123.2° | 119.9° |
| C3 | C7 | H7 | 109.5° | 109.5° |
| C3 | C7 | H7A | 109.5° | 109.5° |
| C12 | C8 | N2 | 110.8° | 109.5° |
| C8 | C12 | O4 | 116.2° | 120.0° |
| C8 | C12 | O5 | 117.3° | 120.0° |
| C12 | C8 | H8 | 108.7° | 109.5° |
| N2 | C8 | H8 | 109.0° | 109.5° |
| C8 | N2 | HN2 | 109.5° | 111.0° |
| C8 | N2 | HN2A | 109.5° | 111.0° |
| C9 | C10 | C11 | 110.9° | 109.4° |
| C10 | C9 | C2 | 111.1° | 109.4° |
| C9 | C10 | H10 | 109.0° | 109.5° |
| C9 | C10 | H10A | 109.0° | 109.5° |
| C10 | C9 | H9 | 108.9° | 109.5° |
| C10 | C9 | H9A | 109.0° | 109.4° |
| C10 | C11 | O7 | 116.8° | 120.0° |
| C10 | C11 | O6 | 117.8° | 119.9° |
| C11 | C10 | H10 | 109.0° | 109.5° |
| C11 | C10 | H10A | 109.0° | 109.5° |
| O4 | C12 | O5 | 126.5° | 120.0° |
| C12 | O5 | HO5 | 109.5° | 117.0° |
| C3 | C2 | C1 | 119.4° | 120.0° |
| C3 | C2 | C9 | 123.9° | 120.0° |
| C1 | C2 | C9 | 116.8° | 120.0° |
| C2 | C1 | H1 | 119.5° | 120.0° |
| C2 | C9 | H9 | 108.9° | 109.5° |
| C2 | C9 | H9A | 108.9° | 109.5° |
| O7 | C11 | O6 | 125.4° | 120.0° |
| C11 | O6 | HO6 | 109.5° | 116.9° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| H10 | C10 | H10A | 109.9° | 109.5° |
| HN2 | N2 | HN2A | 109.4° | 111.0° |
| H9 | C9 | H9A | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | O1 | O2 | 174.0° | 179.7° |
| N1 | C6 | C5 | C4 | 179.1° | 180.0° |
| N1 | C6 | C5 | C1 | 178.2° | 180.0° |
| N1 | C6 | C5 | CL1 | 1.8° | 0.0° |
| N1 | C6 | C1 | C2 | 179.2° | 180.0° |
| N1 | C6 | C1 | H1 | 0.8° | 0.0° |
| O1 | N1 | C6 | C5 | 151.4° | 180.0° |
| O1 | N1 | C6 | C1 | 30.3° | 0.0° |
| O2 | N1 | C6 | C5 | 34.5° | 0.3° |
| O2 | N1 | C6 | C1 | 143.7° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C4 | C5 | C6 | CL1 | 179.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.9° | 0.0° |
| C5 | C4 | C3 | C7 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C3 | C4 | C5 | CL1 | 179.5° | 180.0° |
| C4 | C3 | C7 | C8 | 105.6° | 6.1° |
| C4 | C3 | C7 | C2 | 179.8° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C4 | C3 | C2 | C9 | 179.8° | 179.9° |
| C4 | C3 | C7 | H7 | 14.4° | 126.0° |
| C4 | C3 | C7 | H7A | 134.4° | 114.0° |
| C5 | C6 | C1 | C2 | 0.9° | 0.0° |
| C6 | C5 | C4 | H4 | 179.6° | 179.8° |
| C5 | C6 | C1 | H1 | 179.1° | 180.0° |
| CL1 | C5 | C6 | C1 | 179.9° | 180.0° |
| CL1 | C5 | C4 | H4 | 0.5° | 0.2° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | C9 | 179.7° | 180.0° |
| C8 | C7 | C3 | H7 | 120.0° | 120.0° |
| C8 | C7 | C3 | H7A | 120.0° | 120.0° |
| C7 | C8 | C12 | N2 | 119.2° | 120.0° |
| C7 | C8 | C12 | H8 | 121.0° | 119.9° |
| C7 | C8 | N2 | H8 | 121.1° | 120.0° |
| C7 | C8 | C12 | O4 | 70.0° | 100.0° |
| C7 | C8 | C12 | O5 | 109.6° | 80.0° |
| C8 | C7 | C3 | C2 | 74.6° | 173.9° |
| C8 | C7 | H7 | H7A | 120.1° | 120.0° |
| C7 | C8 | N2 | HN2 | 180.0° | 177.9° |
| C7 | C8 | N2 | HN2A | 60.0° | 58.1° |
| C3 | C7 | C8 | C12 | 172.6° | 174.3° |
| C3 | C7 | C8 | N2 | 66.7° | 65.7° |
| C7 | C3 | C2 | C1 | 179.8° | 180.0° |
| C7 | C3 | C2 | C9 | 0.0° | 0.0° |
| C7 | C3 | C4 | H4 | 0.1° | 0.2° |
| C3 | C7 | H7 | H7A | 120.0° | 120.0° |
| C3 | C7 | C8 | H8 | 53.1° | 54.4° |
| C12 | C8 | N2 | H8 | 119.6° | 120.0° |
| C8 | C12 | O4 | O5 | 179.6° | 180.0° |
| C12 | C8 | C7 | H7 | 67.4° | 65.7° |
| C12 | C8 | C7 | H7A | 52.6° | 54.3° |
| C8 | C12 | O5 | HO5 | 179.6° | 180.0° |
| C12 | C8 | N2 | HN2 | 60.6° | 62.1° |
| C12 | C8 | N2 | HN2A | 59.4° | 61.9° |
| N2 | C8 | C12 | O4 | 170.8° | 20.0° |
| N2 | C8 | C12 | O5 | 9.5° | 160.0° |
| N2 | C8 | C7 | H7 | 53.3° | 54.3° |
| N2 | C8 | C7 | H7A | 173.3° | 174.3° |
| C8 | N2 | HN2 | HN2A | 120.0° | 124.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 120.0° | 120.0° |
| C10 | C9 | C2 | C3 | 126.7° | 85.7° |
| C10 | C9 | C2 | C1 | 53.1° | 94.4° |
| C10 | C9 | C2 | H9 | 120.0° | 120.0° |
| C10 | C9 | C2 | H9A | 120.0° | 119.9° |
| C9 | C10 | C11 | O7 | 146.6° | 0.0° |
| C9 | C10 | C11 | O6 | 32.7° | 180.0° |
| C9 | C10 | H10 | H10A | 119.4° | 120.0° |
| C10 | C9 | H9 | H9A | 119.4° | 119.9° |
| C11 | C10 | C9 | C2 | 81.6° | 180.0° |
| C10 | C11 | O7 | O6 | 179.2° | 180.0° |
| C11 | C10 | H10 | H10A | 119.4° | 120.0° |
| C11 | C10 | C9 | H9 | 38.4° | 60.0° |
| C11 | C10 | C9 | H9A | 158.4° | 60.0° |
| C10 | C11 | O6 | HO6 | 179.2° | 180.0° |
| O4 | C12 | C8 | H8 | 51.0° | 140.0° |
| O4 | C12 | O5 | HO5 | 0.0° | 0.0° |
| O5 | C12 | C8 | H8 | 129.3° | 39.9° |
| C3 | C2 | C1 | C9 | 179.8° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C2 | C3 | C7 | H7 | 165.4° | 54.0° |
| C2 | C3 | C7 | H7A | 45.4° | 66.1° |
| C3 | C2 | C1 | H1 | 179.6° | 180.0° |
| C3 | C2 | C9 | H9 | 113.3° | 34.3° |
| C3 | C2 | C9 | H9A | 6.7° | 154.4° |
| C1 | C2 | C9 | H9 | 66.9° | 145.6° |
| C1 | C2 | C9 | H9A | 173.1° | 25.6° |
| C2 | C9 | C10 | H10 | 38.4° | 60.0° |
| C2 | C9 | C10 | H10A | 158.4° | 60.0° |
| C9 | C2 | C1 | H1 | 0.3° | 0.1° |
| C2 | C9 | H9 | H9A | 119.3° | 120.1° |
| O7 | C11 | C10 | H10 | 26.6° | 120.0° |
| O7 | C11 | C10 | H10A | 93.4° | 120.0° |
| O7 | C11 | O6 | HO6 | 0.0° | 0.0° |
| O6 | C11 | C10 | H10 | 152.7° | 60.0° |
| O6 | C11 | C10 | H10A | 87.3° | 60.0° |
| H7 | C7 | C8 | H8 | 173.1° | 174.4° |
| H7A | C7 | C8 | H8 | 66.9° | 65.6° |
| H8 | C8 | N2 | HN2 | 58.9° | 57.9° |
| H8 | C8 | N2 | HN2A | 178.9° | 178.1° |
| H10 | C10 | C9 | H9 | 158.4° | 60.0° |
| H10 | C10 | C9 | H9A | 81.6° | 180.0° |
| H10A | C10 | C9 | H9 | 81.6° | NaN° |
| H10A | C10 | C9 | H9A | 38.4° | 60.0° |
