2GA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | N4 | sing | 1.36Å | 1.34Å | Aromatic |
| C10 | C1 | doub | 1.36Å | 1.38Å | Aromatic |
| N4 | N8 | sing | 1.40Å | 1.24Å | Aromatic |
| N8 | C9 | doub | 1.31Å | 1.34Å | Aromatic |
| C9 | C13 | sing | 1.51Å | 1.53Å | |
| C9 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | S11 | sing | 1.76Å | 1.75Å | |
| S11 | C2 | sing | 1.76Å | 1.75Å | |
| C2 | S3 | sing | 1.76Å | 1.67Å | Aromatic |
| C2 | N5 | doub | 1.30Å | 1.34Å | Aromatic |
| S3 | C6 | sing | 1.76Å | 1.67Å | Aromatic |
| N5 | N7 | sing | 1.38Å | 1.25Å | Aromatic |
| N7 | C6 | doub | 1.30Å | 1.34Å | Aromatic |
| C6 | S12 | sing | 1.76Å | 1.75Å | |
| S12 | C15 | sing | 1.81Å | 1.78Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C10 | N4 | 126.1° | 126.2° |
| C14 | C10 | C1 | 126.1° | 126.2° |
| C10 | C14 | H141 | 109.5° | 109.5° |
| C10 | C14 | H142 | 109.4° | 109.5° |
| C10 | C14 | H143 | 109.5° | 109.5° |
| N4 | C10 | C1 | 107.8° | 107.5° |
| C10 | N4 | N8 | 110.3° | 107.9° |
| C10 | N4 | H4 | 124.9° | 126.1° |
| C10 | C1 | C9 | 103.9° | 107.9° |
| C10 | C1 | S11 | 128.0° | 126.0° |
| N4 | N8 | C9 | 110.3° | 108.4° |
| N8 | N4 | H4 | 124.9° | 126.1° |
| N8 | C9 | C13 | 126.1° | 125.8° |
| N8 | C9 | C1 | 107.8° | 108.4° |
| C13 | C9 | C1 | 126.1° | 125.8° |
| C9 | C13 | H131 | 109.5° | 109.5° |
| C9 | C13 | H132 | 109.4° | 109.5° |
| C9 | C13 | H133 | 109.5° | 109.5° |
| C9 | C1 | S11 | 128.1° | 126.1° |
| C1 | S11 | C2 | 100.0° | 103.0° |
| S11 | C2 | S3 | 125.6° | 125.4° |
| S11 | C2 | N5 | 125.6° | 125.4° |
| S3 | C2 | N5 | 108.8° | 109.2° |
| C2 | S3 | C6 | 91.6° | 90.5° |
| C2 | N5 | N7 | 115.4° | 115.6° |
| S3 | C6 | N7 | 108.9° | 109.2° |
| S3 | C6 | S12 | 125.6° | 125.4° |
| N5 | N7 | C6 | 115.4° | 115.6° |
| N7 | C6 | S12 | 125.6° | 125.4° |
| C6 | S12 | C15 | 107.0° | 103.0° |
| S12 | C15 | H151 | 109.5° | 109.5° |
| S12 | C15 | H152 | 109.4° | 109.4° |
| S12 | C15 | H153 | 109.4° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C10 | N4 | C1 | 179.9° | 179.7° |
| C14 | C10 | N4 | N8 | 180.0° | 180.0° |
| C14 | C10 | C1 | C9 | 180.0° | 179.8° |
| C14 | C10 | C1 | S11 | 0.1° | 0.0° |
| C10 | C14 | H141 | H142 | 120.0° | 120.0° |
| C10 | C14 | H141 | H143 | 120.0° | 120.0° |
| C10 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C10 | N4 | H4 | 0.0° | 0.0° |
| C10 | N4 | N8 | H4 | 180.0° | 180.0° |
| C10 | N4 | N8 | C9 | 0.0° | 0.0° |
| N4 | C10 | C1 | C9 | 0.1° | 0.4° |
| N4 | C10 | C1 | S11 | 180.0° | 179.7° |
| N4 | C10 | C14 | H141 | 90.0° | 90.0° |
| N4 | C10 | C14 | H142 | 150.0° | 149.9° |
| N4 | C10 | C14 | H143 | 29.9° | 30.0° |
| C1 | C10 | N4 | N8 | 0.1° | 0.3° |
| C10 | C1 | C9 | N8 | 0.0° | 0.4° |
| C10 | C1 | C9 | C13 | 180.0° | 179.8° |
| C10 | C1 | C9 | S11 | 180.0° | 179.8° |
| C10 | C1 | S11 | C2 | 106.1° | 90.0° |
| C1 | C10 | C14 | H141 | 90.1° | 90.3° |
| C1 | C10 | C14 | H142 | 30.0° | 29.8° |
| C1 | C10 | C14 | H143 | 150.0° | 149.7° |
| C1 | C10 | N4 | H4 | 179.9° | 179.8° |
| N4 | N8 | C9 | C13 | 180.0° | 180.0° |
| N4 | N8 | C9 | C1 | 0.0° | 0.3° |
| N8 | C9 | C13 | C1 | 180.0° | 179.7° |
| N8 | C9 | C1 | S11 | 180.0° | 179.7° |
| C9 | N8 | N4 | H4 | 180.0° | 180.0° |
| N8 | C9 | C13 | H131 | 0.0° | 89.9° |
| N8 | C9 | C13 | H132 | 120.0° | 150.0° |
| N8 | C9 | C13 | H133 | 120.0° | 30.0° |
| C13 | C9 | C1 | S11 | 0.0° | 0.0° |
| C9 | C13 | H131 | H132 | 120.0° | 120.0° |
| C9 | C13 | H131 | H133 | 120.0° | 120.0° |
| C9 | C13 | H132 | H133 | 120.0° | 120.0° |
| C9 | C1 | S11 | C2 | 73.8° | 89.8° |
| C1 | C9 | C13 | H131 | 180.0° | 89.8° |
| C1 | C9 | C13 | H132 | 60.0° | 30.2° |
| C1 | C9 | C13 | H133 | 60.0° | 150.3° |
| C1 | S11 | C2 | S3 | 36.1° | 180.0° |
| C1 | S11 | C2 | N5 | 143.9° | 0.3° |
| S11 | C2 | S3 | N5 | 180.0° | 179.7° |
| S11 | C2 | S3 | C6 | 180.0° | 180.0° |
| S11 | C2 | N5 | N7 | 180.0° | 180.0° |
| S3 | C2 | N5 | N7 | 0.0° | 0.3° |
| C2 | S3 | C6 | N7 | 0.0° | 0.2° |
| C2 | S3 | C6 | S12 | 180.0° | 180.0° |
| N5 | C2 | S3 | C6 | 0.0° | 0.3° |
| C2 | N5 | N7 | C6 | 0.0° | 0.1° |
| S3 | C6 | N7 | N5 | 0.0° | 0.1° |
| S3 | C6 | N7 | S12 | 180.0° | 179.8° |
| S3 | C6 | S12 | C15 | 171.6° | 180.0° |
| N5 | N7 | C6 | S12 | 180.0° | 179.9° |
| N7 | C6 | S12 | C15 | 8.4° | 0.2° |
| C6 | S12 | C15 | H151 | 180.0° | 60.0° |
| C6 | S12 | C15 | H152 | 60.0° | 60.1° |
| C6 | S12 | C15 | H153 | 60.0° | 180.0° |
| S12 | C15 | H151 | H152 | 120.0° | 120.0° |
| S12 | C15 | H151 | H153 | 120.0° | 119.9° |
| S12 | C15 | H152 | H153 | 120.0° | 119.9° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 120.0° | 119.9° |
| H151 | C15 | H152 | H153 | 120.0° | 120.1° |
