GCA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | CG | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | CP | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | CQ | sing | 1.51Å | 1.50Å | |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| CP | HP1 | sing | 1.09Å | 1.11Å | |
| CP | HP2 | sing | 1.09Å | 1.11Å | |
| CP | HP3 | sing | 1.09Å | 1.12Å | |
| CQ | HQ1 | sing | 1.09Å | 1.11Å | |
| CQ | HQ2 | sing | 1.09Å | 1.12Å | |
| CQ | HQ3 | sing | 1.09Å | 1.12Å | |
| CG | C7 | sing | 1.51Å | 1.54Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| C7 | C12 | doub | 1.35Å | 1.42Å | |
| C7 | N8 | sing | 1.37Å | 1.42Å | |
| C12 | CF | sing | 1.51Å | 1.55Å | |
| C12 | C11 | sing | 1.42Å | 1.46Å | |
| CF | CH | sing | 1.53Å | 1.55Å | |
| CF | CI | sing | 1.53Å | 1.52Å | |
| CF | HF1 | sing | 1.09Å | 1.11Å | |
| CH | HH1 | sing | 1.09Å | 1.11Å | |
| CH | HH2 | sing | 1.09Å | 1.11Å | |
| CH | HH3 | sing | 1.09Å | 1.11Å | |
| CI | HI1 | sing | 1.09Å | 1.11Å | |
| CI | HI2 | sing | 1.09Å | 1.12Å | |
| CI | HI3 | sing | 1.09Å | 1.11Å | |
| C11 | O11 | doub | 1.22Å | 1.23Å | |
| C11 | N10 | sing | 1.35Å | 1.40Å | |
| N8 | C9 | sing | 1.34Å | 1.40Å | |
| N8 | CA | sing | 1.46Å | 1.50Å | |
| C9 | O9 | doub | 1.22Å | 1.23Å | |
| C9 | N10 | sing | 1.35Å | 1.39Å | |
| N10 | HN1 | sing | 0.97Å | 1.02Å | |
| CA | OB | sing | 1.43Å | 1.42Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CA | HA2 | sing | 1.09Å | 1.12Å | |
| OB | CC | sing | 1.43Å | 1.44Å | |
| CC | CD | sing | 1.53Å | 1.52Å | |
| CC | HC1 | sing | 1.09Å | 1.12Å | |
| CC | HC2 | sing | 1.09Å | 1.12Å | |
| CD | HD1 | sing | 1.09Å | 1.11Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| CD | HD3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 120.0° |
| C2 | C1 | CG | 121.0° | 120.0° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C1 | C2 | H21 | 120.1° | 120.0° |
| C6 | C1 | CG | 119.5° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.0° |
| C1 | C6 | H61 | 120.1° | 120.0° |
| C1 | CG | C7 | 120.8° | 109.5° |
| C1 | CG | HG1 | 108.2° | 109.5° |
| C1 | CG | HG2 | 108.1° | 109.5° |
| C3 | C2 | H21 | 119.6° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | CP | 120.1° | 120.0° |
| C4 | C3 | CP | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C3 | C4 | H41 | 119.9° | 120.0° |
| C3 | CP | HP1 | 120.1° | 109.4° |
| C3 | CP | HP2 | 108.4° | 109.5° |
| C3 | CP | HP3 | 108.4° | 109.5° |
| C5 | C4 | H41 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | CQ | 119.7° | 120.0° |
| C6 | C5 | CQ | 120.0° | 120.0° |
| C5 | C6 | H61 | 119.9° | 120.0° |
| C5 | CQ | HQ1 | 119.7° | 109.5° |
| C5 | CQ | HQ2 | 108.5° | 109.5° |
| C5 | CQ | HQ3 | 108.5° | 109.5° |
| HP1 | CP | HP2 | 108.5° | 109.4° |
| HP1 | CP | HP3 | 108.4° | 109.4° |
| HP2 | CP | HP3 | 101.5° | 109.5° |
| HQ1 | CQ | HQ2 | 108.6° | 109.5° |
| HQ1 | CQ | HQ3 | 108.5° | 109.5° |
| HQ2 | CQ | HQ3 | 101.4° | 109.4° |
| C7 | CG | HG1 | 108.1° | 109.5° |
| C7 | CG | HG2 | 108.2° | 109.5° |
| CG | C7 | C12 | 122.5° | 120.2° |
| CG | C7 | N8 | 117.4° | 120.1° |
| HG1 | CG | HG2 | 101.8° | 109.4° |
| C12 | C7 | N8 | 120.2° | 119.7° |
| C7 | C12 | CF | 126.5° | 120.4° |
| C7 | C12 | C11 | 119.2° | 119.1° |
| C7 | N8 | C9 | 121.7° | 120.6° |
| C7 | N8 | CA | 123.5° | 119.7° |
| CF | C12 | C11 | 114.2° | 120.5° |
| C12 | CF | CH | 115.8° | 109.5° |
| C12 | CF | CI | 113.6° | 109.5° |
| C12 | CF | HF1 | 103.6° | 109.5° |
| C12 | C11 | O11 | 124.3° | 120.3° |
| C12 | C11 | N10 | 116.1° | 119.4° |
| CH | CF | CI | 114.7° | 109.5° |
| CH | CF | HF1 | 102.1° | 109.4° |
| CF | CH | HH1 | 115.8° | 109.5° |
| CF | CH | HH2 | 109.9° | 109.4° |
| CF | CH | HH3 | 109.9° | 109.5° |
| CI | CF | HF1 | 105.0° | 109.4° |
| CF | CI | HI1 | 113.6° | 109.4° |
| CF | CI | HI2 | 110.7° | 109.5° |
| CF | CI | HI3 | 110.7° | 109.5° |
| HH1 | CH | HH2 | 109.9° | 109.5° |
| HH1 | CH | HH3 | 109.9° | 109.5° |
| HH2 | CH | HH3 | 100.4° | 109.5° |
| HI1 | CI | HI2 | 110.8° | 109.5° |
| HI1 | CI | HI3 | 110.7° | 109.4° |
| HI2 | CI | HI3 | 99.6° | 109.5° |
| O11 | C11 | N10 | 119.6° | 120.4° |
| C11 | N10 | C9 | 126.6° | 120.3° |
| C11 | N10 | HN1 | 117.0° | 119.8° |
| C9 | N8 | CA | 114.7° | 119.7° |
| N8 | C9 | O9 | 122.7° | 119.6° |
| N8 | C9 | N10 | 116.2° | 120.9° |
| N8 | CA | OB | 112.2° | 109.4° |
| N8 | CA | HA1 | 111.2° | 109.5° |
| N8 | CA | HA2 | 111.2° | 109.6° |
| O9 | C9 | N10 | 121.1° | 119.5° |
| C9 | N10 | HN1 | 116.4° | 119.9° |
| OB | CA | HA1 | 111.2° | 109.4° |
| OB | CA | HA2 | 111.2° | 109.5° |
| CA | OB | CC | 112.2° | 106.8° |
| HA1 | CA | HA2 | 99.1° | 109.5° |
| OB | CC | CD | 111.0° | 109.5° |
| OB | CC | HC1 | 111.6° | 109.5° |
| OB | CC | HC2 | 111.6° | 109.4° |
| CD | CC | HC1 | 111.7° | 109.5° |
| CD | CC | HC2 | 111.7° | 109.5° |
| CC | CD | HD1 | 111.0° | 109.5° |
| CC | CD | HD2 | 111.6° | 109.4° |
| CC | CD | HD3 | 111.6° | 109.4° |
| HC1 | CC | HC2 | 98.7° | 109.4° |
| HD1 | CD | HD2 | 111.6° | 109.5° |
| HD1 | CD | HD3 | 111.7° | 109.5° |
| HD2 | CD | HD3 | 98.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | CG | 177.2° | 179.7° |
| C1 | C2 | C3 | H21 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | CP | 179.5° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.4° |
| C2 | C1 | C6 | H61 | 179.2° | 180.0° |
| C2 | C1 | CG | C7 | 37.4° | 97.0° |
| C2 | C1 | CG | HG1 | 87.9° | 23.0° |
| C2 | C1 | CG | HG2 | 162.6° | 143.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.3° |
| C6 | C1 | C2 | H21 | 179.4° | 179.7° |
| C1 | C6 | C5 | C4 | 0.4° | 0.4° |
| C1 | C6 | C5 | H61 | 179.9° | 179.6° |
| C1 | C6 | C5 | CQ | 179.8° | 179.7° |
| C6 | C1 | CG | C7 | 145.5° | 83.3° |
| C6 | C1 | CG | HG1 | 89.3° | 156.7° |
| C6 | C1 | CG | HG2 | 20.2° | 36.7° |
| CG | C1 | C2 | C3 | 176.6° | 180.0° |
| CG | C1 | C2 | H21 | 3.5° | 0.0° |
| CG | C1 | C6 | C5 | 176.5° | 179.9° |
| CG | C1 | C6 | H61 | 3.5° | 0.3° |
| C1 | CG | C7 | HG1 | 125.3° | 120.0° |
| C1 | CG | C7 | HG2 | 125.2° | 120.0° |
| C1 | CG | HG1 | HG2 | 113.8° | 120.0° |
| C1 | CG | C7 | C12 | 104.5° | 92.0° |
| C1 | CG | C7 | N8 | 76.7° | 88.5° |
| C2 | C3 | C4 | CP | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | H41 | 179.9° | 180.0° |
| C2 | C3 | CP | HP1 | 179.9° | 90.0° |
| C2 | C3 | CP | HP2 | 54.7° | 150.0° |
| C2 | C3 | CP | HP3 | 54.7° | 30.0° |
| H21 | C2 | C3 | C4 | 179.8° | 179.9° |
| H21 | C2 | C3 | CP | 0.6° | 0.0° |
| C3 | C4 | C5 | H41 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | CQ | 179.8° | 179.9° |
| C4 | C3 | CP | HP1 | 0.5° | 89.9° |
| C4 | C3 | CP | HP2 | 124.9° | 30.0° |
| C4 | C3 | CP | HP3 | 125.7° | 150.1° |
| CP | C3 | C4 | C5 | 179.8° | 180.0° |
| CP | C3 | C4 | H41 | 0.3° | 0.1° |
| C3 | CP | HP1 | HP2 | 125.3° | 120.0° |
| C3 | CP | HP1 | HP3 | 125.2° | 120.0° |
| C3 | CP | HP2 | HP3 | 114.0° | 120.1° |
| C4 | C5 | C6 | CQ | 179.8° | 179.9° |
| C4 | C5 | C6 | H61 | 179.5° | 180.0° |
| C4 | C5 | CQ | HQ1 | 180.0° | 90.0° |
| C4 | C5 | CQ | HQ2 | 54.7° | 150.0° |
| C4 | C5 | CQ | HQ3 | 54.7° | 30.0° |
| H41 | C4 | C5 | C6 | 180.0° | 179.9° |
| H41 | C4 | C5 | CQ | 0.2° | 0.0° |
| C6 | C5 | CQ | HQ1 | 0.2° | 89.8° |
| C6 | C5 | CQ | HQ2 | 125.5° | 30.1° |
| C6 | C5 | CQ | HQ3 | 125.1° | 150.1° |
| CQ | C5 | C6 | H61 | 0.3° | 0.1° |
| C5 | CQ | HQ1 | HQ2 | 125.3° | 120.0° |
| C5 | CQ | HQ1 | HQ3 | 125.2° | 120.1° |
| C5 | CQ | HQ2 | HQ3 | 114.2° | 120.0° |
| HP1 | CP | HP2 | HP3 | 114.0° | 120.0° |
| HQ1 | CQ | HQ2 | HQ3 | 114.2° | 120.0° |
| C7 | CG | HG1 | HG2 | 113.8° | 120.0° |
| CG | C7 | C12 | N8 | 178.8° | 179.5° |
| CG | C7 | C12 | CF | 1.5° | 0.3° |
| CG | C7 | C12 | C11 | 178.9° | 180.0° |
| CG | C7 | N8 | C9 | 177.9° | 180.0° |
| CG | C7 | N8 | CA | 5.3° | 0.2° |
| HG1 | CG | C7 | C12 | 20.8° | 147.9° |
| HG1 | CG | C7 | N8 | 158.1° | 31.5° |
| HG2 | CG | C7 | C12 | 130.3° | 28.0° |
| HG2 | CG | C7 | N8 | 48.6° | 151.5° |
| C7 | C12 | CF | C11 | 177.5° | 179.8° |
| C7 | C12 | CF | CH | 60.8° | 116.3° |
| C7 | C12 | CF | CI | 75.0° | 123.7° |
| C7 | C12 | CF | HF1 | 171.6° | 3.7° |
| C7 | C12 | C11 | O11 | 178.0° | 179.7° |
| C7 | C12 | C11 | N10 | 0.6° | 0.2° |
| C12 | C7 | N8 | C9 | 1.0° | 0.5° |
| C12 | C7 | N8 | CA | 175.8° | 179.7° |
| N8 | C7 | C12 | CF | 177.3° | 179.7° |
| N8 | C7 | C12 | C11 | 0.1° | 0.5° |
| C7 | N8 | C9 | CA | 177.0° | 179.8° |
| C7 | N8 | C9 | O9 | 176.6° | 179.7° |
| C7 | N8 | C9 | N10 | 1.4° | 0.2° |
| C7 | N8 | CA | OB | 81.5° | 87.5° |
| C7 | N8 | CA | HA1 | 43.9° | 32.4° |
| C7 | N8 | CA | HA2 | 153.3° | 152.5° |
| C12 | CF | CH | CI | 135.4° | 120.0° |
| C12 | CF | CH | HF1 | 111.7° | 120.0° |
| C12 | CF | CI | HF1 | 112.4° | 120.1° |
| C12 | CF | CH | HH1 | 180.0° | 180.0° |
| C12 | CF | CH | HH2 | 54.7° | 60.0° |
| C12 | CF | CH | HH3 | 54.8° | 59.9° |
| C12 | CF | CI | HI1 | 180.0° | 60.0° |
| C12 | CF | CI | HI2 | 54.7° | 60.0° |
| C12 | CF | CI | HI3 | 54.7° | 179.9° |
| CF | C12 | C11 | O11 | 4.3° | 0.1° |
| CF | C12 | C11 | N10 | 177.1° | 180.0° |
| C11 | C12 | CF | CH | 116.7° | 63.9° |
| C11 | C12 | CF | CI | 107.4° | 56.1° |
| C11 | C12 | CF | HF1 | 5.9° | 176.1° |
| C12 | C11 | O11 | N10 | 178.6° | 179.9° |
| C12 | C11 | N10 | C9 | 0.2° | 0.1° |
| C12 | C11 | N10 | HN1 | 179.9° | 180.0° |
| CH | CF | CI | HF1 | 111.2° | 119.9° |
| CF | CH | HH1 | HH2 | 125.2° | 120.0° |
| CF | CH | HH1 | HH3 | 125.2° | 120.0° |
| CF | CH | HH2 | HH3 | 115.7° | 120.0° |
| CH | CF | CI | HI1 | 43.6° | 60.0° |
| CH | CF | CI | HI2 | 168.9° | 180.0° |
| CH | CF | CI | HI3 | 81.7° | 59.9° |
| CI | CF | CH | HH1 | 44.6° | 60.0° |
| CI | CF | CH | HH2 | 80.6° | 180.0° |
| CI | CF | CH | HH3 | 169.9° | 60.1° |
| CF | CI | HI1 | HI2 | 125.3° | 120.0° |
| CF | CI | HI1 | HI3 | 125.3° | 120.0° |
| CF | CI | HI2 | HI3 | 116.5° | 120.0° |
| HF1 | CF | CH | HH1 | 68.3° | 60.0° |
| HF1 | CF | CH | HH2 | 166.4° | 60.0° |
| HF1 | CF | CH | HH3 | 56.9° | 180.0° |
| HF1 | CF | CI | HI1 | 67.6° | 179.9° |
| HF1 | CF | CI | HI2 | 57.7° | 60.1° |
| HF1 | CF | CI | HI3 | 167.1° | 60.0° |
| HH1 | CH | HH2 | HH3 | 115.8° | 120.0° |
| HI1 | CI | HI2 | HI3 | 116.6° | 120.0° |
| O11 | C11 | N10 | C9 | 178.5° | 180.0° |
| O11 | C11 | N10 | HN1 | 1.5° | 0.1° |
| C11 | N10 | C9 | N8 | 0.9° | 0.1° |
| C11 | N10 | C9 | O9 | 177.3° | 180.0° |
| C11 | N10 | C9 | HN1 | 180.0° | 180.0° |
| N8 | C9 | O9 | N10 | 178.0° | 179.9° |
| N8 | C9 | N10 | HN1 | 179.1° | 180.0° |
| C9 | N8 | CA | OB | 101.6° | 92.3° |
| C9 | N8 | CA | HA1 | 133.1° | 147.7° |
| C9 | N8 | CA | HA2 | 23.7° | 27.7° |
| CA | N8 | C9 | O9 | 6.3° | 0.1° |
| CA | N8 | C9 | N10 | 175.6° | 180.0° |
| N8 | CA | OB | HA1 | 125.3° | 120.0° |
| N8 | CA | OB | HA2 | 125.3° | 120.1° |
| N8 | CA | HA1 | HA2 | 117.0° | 120.1° |
| N8 | CA | OB | CC | 107.2° | 79.5° |
| O9 | C9 | N10 | HN1 | 2.8° | 0.1° |
| OB | CA | HA1 | HA2 | 117.1° | 120.0° |
| CA | OB | CC | CD | 169.9° | 174.5° |
| CA | OB | CC | HC1 | 64.8° | 54.4° |
| CA | OB | CC | HC2 | 44.6° | 65.5° |
| HA1 | CA | OB | CC | 127.5° | 160.6° |
| HA2 | CA | OB | CC | 18.0° | 40.6° |
| OB | CC | CD | HC1 | 125.3° | 120.0° |
| OB | CC | CD | HC2 | 125.3° | 120.0° |
| OB | CC | HC1 | HC2 | 117.5° | 119.9° |
| OB | CC | CD | HD1 | 180.0° | 180.0° |
| OB | CC | CD | HD2 | 54.8° | 60.0° |
| OB | CC | CD | HD3 | 54.7° | 60.0° |
| CD | CC | HC1 | HC2 | 117.6° | 120.0° |
| CC | CD | HD1 | HD2 | 125.2° | 120.0° |
| CC | CD | HD1 | HD3 | 125.2° | 120.0° |
| CC | CD | HD2 | HD3 | 117.5° | 119.9° |
| HC1 | CC | CD | HD1 | 54.7° | 60.0° |
| HC1 | CC | CD | HD2 | 180.0° | 60.0° |
| HC1 | CC | CD | HD3 | 70.5° | 180.0° |
| HC2 | CC | CD | HD1 | 54.7° | 60.0° |
| HC2 | CC | CD | HD2 | 70.5° | 180.0° |
| HC2 | CC | CD | HD3 | 180.0° | 60.0° |
| HD1 | CD | HD2 | HD3 | 117.6° | 120.0° |
