1G2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | N9 | sing | 1.47Å | 1.45Å | |
| C7 | C3 | sing | 1.51Å | 1.54Å | |
| N9 | N10 | doub | 1.12Å | 1.19Å | |
| N10 | N11 | doub | 1.12Å | 1.19Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C7 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å | |
| C2 | H47 | sing | 1.08Å | 1.08Å | |
| C1 | H48 | sing | 1.08Å | 1.08Å | |
| C4 | H49 | sing | 1.08Å | 1.08Å | |
| C5 | H50 | sing | 1.08Å | 1.08Å | |
| C6 | H51 | sing | 1.08Å | 1.08Å | |
| C12 | OXT | sing | 1.34Å | 140.11Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | C8 | 117.6° | 120.0° |
| O13 | C12 | OXT | 137.3° | 120.0° |
| C12 | C8 | C7 | 113.4° | 109.5° |
| C12 | C8 | N9 | 101.3° | 109.5° |
| C12 | C8 | H43 | 110.4° | 109.5° |
| C8 | C12 | OXT | 88.4° | 120.0° |
| C7 | C8 | N9 | 110.5° | 109.4° |
| C8 | C7 | C3 | 111.2° | 109.5° |
| C7 | C8 | H43 | 109.8° | 109.5° |
| C8 | C7 | H45 | 109.1° | 109.5° |
| C8 | C7 | H46 | 109.0° | 109.5° |
| C8 | N9 | N10 | 123.9° | 120.0° |
| N9 | C8 | H43 | 111.3° | 109.5° |
| C7 | C3 | C2 | 120.7° | 120.0° |
| C7 | C3 | C4 | 120.3° | 120.0° |
| C3 | C7 | H45 | 109.1° | 109.5° |
| C3 | C7 | H46 | 109.1° | 109.4° |
| N9 | N10 | N11 | 176.5° | 180.0° |
| C2 | C3 | C4 | 119.0° | 120.0° |
| C3 | C2 | C1 | 120.4° | 120.0° |
| C3 | C2 | H47 | 119.8° | 120.0° |
| C3 | C4 | C5 | 120.8° | 120.0° |
| C3 | C4 | H49 | 119.6° | 120.0° |
| C2 | C1 | C6 | 120.2° | 119.9° |
| C1 | C2 | H47 | 119.9° | 120.0° |
| C2 | C1 | H48 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C5 | C4 | H49 | 119.6° | 120.0° |
| C4 | C5 | H50 | 120.2° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.1° |
| C6 | C1 | H48 | 119.9° | 120.0° |
| C1 | C6 | H51 | 120.0° | 119.9° |
| C6 | C5 | H50 | 120.2° | 120.0° |
| C5 | C6 | H51 | 120.0° | 120.0° |
| H45 | C7 | H46 | 109.5° | 109.5° |
| C12 | OXT | HXT | 90.0° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C8 | OXT | 144.6° | 179.7° |
| O13 | C12 | C8 | C7 | 59.3° | 119.7° |
| O13 | C12 | C8 | N9 | 59.0° | 0.3° |
| O13 | C12 | C8 | H43 | 177.0° | 120.3° |
| O13 | C12 | OXT | HXT | 90.0° | 0.3° |
| C12 | C8 | C7 | N9 | 112.9° | 120.0° |
| C12 | C8 | C7 | H43 | 124.0° | 120.0° |
| C12 | C8 | N9 | H43 | 117.3° | 120.0° |
| C12 | C8 | C7 | C3 | 177.0° | 175.0° |
| C12 | C8 | N9 | N10 | 97.2° | 65.0° |
| C12 | C8 | C7 | H45 | 56.8° | 65.0° |
| C12 | C8 | C7 | H46 | 62.7° | 55.1° |
| C8 | C12 | OXT | HXT | 90.0° | 180.0° |
| C7 | C8 | N9 | H43 | 122.2° | 120.0° |
| C8 | C7 | C3 | H45 | 120.3° | 120.0° |
| C8 | C7 | C3 | H46 | 120.2° | 120.0° |
| C7 | C8 | N9 | N10 | 142.4° | 175.0° |
| C8 | C7 | C3 | C2 | 97.5° | 90.0° |
| C8 | C7 | C3 | C4 | 83.2° | 90.3° |
| C8 | C7 | H45 | H46 | 119.2° | 120.0° |
| C7 | C8 | C12 | OXT | 85.3° | 60.0° |
| N9 | C8 | C7 | C3 | 64.1° | 65.0° |
| C8 | N9 | N10 | N11 | 1.0° | 165.5° |
| N9 | C8 | C7 | H45 | 56.1° | 55.0° |
| N9 | C8 | C7 | H46 | 175.6° | 175.0° |
| N9 | C8 | C12 | OXT | 156.3° | 180.0° |
| C7 | C3 | C2 | C4 | 179.3° | 179.7° |
| C7 | C3 | C2 | C1 | 179.8° | 180.0° |
| C7 | C3 | C4 | C5 | 179.9° | 180.0° |
| C3 | C7 | C8 | H43 | 58.9° | 55.0° |
| C3 | C7 | H45 | H46 | 119.2° | 120.0° |
| C7 | C3 | C2 | H47 | 0.3° | 0.0° |
| C7 | C3 | C4 | H49 | 0.1° | 0.0° |
| N10 | N9 | C8 | H43 | 20.2° | 55.0° |
| C3 | C2 | C1 | H47 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.3° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C2 | C3 | C7 | H45 | 142.2° | 30.0° |
| C2 | C3 | C7 | H46 | 22.8° | 150.1° |
| C3 | C2 | C1 | H48 | 179.9° | 180.0° |
| C2 | C3 | C4 | H49 | 179.4° | 179.8° |
| C4 | C3 | C2 | C1 | 0.4° | 0.2° |
| C3 | C4 | C5 | H49 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C3 | C7 | H45 | 37.1° | 149.7° |
| C4 | C3 | C7 | H46 | 156.6° | 29.7° |
| C4 | C3 | C2 | H47 | 179.6° | 179.7° |
| C3 | C4 | C5 | H50 | 179.5° | 180.0° |
| C2 | C1 | C6 | H48 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C2 | C1 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.2° |
| C4 | C5 | C6 | H50 | 180.0° | 180.0° |
| C4 | C5 | C6 | H51 | 179.8° | 180.0° |
| C1 | C6 | C5 | H51 | 180.0° | 179.8° |
| C6 | C1 | C2 | H47 | 179.9° | 180.0° |
| C1 | C6 | C5 | H50 | 179.8° | 179.8° |
| C5 | C6 | C1 | H48 | 180.0° | 179.8° |
| C6 | C5 | C4 | H49 | 179.5° | 180.0° |
| H43 | C8 | C7 | H45 | 179.2° | 175.0° |
| H43 | C8 | C7 | H46 | 61.3° | 64.9° |
| H43 | C8 | C12 | OXT | 38.4° | 60.0° |
| H47 | C2 | C1 | H48 | 0.1° | 0.0° |
| H48 | C1 | C6 | H51 | 0.0° | 0.0° |
| H49 | C4 | C5 | H50 | 0.5° | 0.0° |
| H50 | C5 | C6 | H51 | 0.2° | 0.0° |
