C12
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.30Å | 1.33Å | Aromatic |
| C1 | N3 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | CA1 | sing | 1.51Å | 1.49Å | |
| N2 | CA2 | sing | 1.34Å | 1.38Å | Aromatic |
| CA2 | C2 | doub | 1.35Å | 1.38Å | Aromatic |
| CA2 | CB2 | sing | 1.51Å | 1.55Å | |
| CG1 | CB1 | sing | 1.53Å | 1.45Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| OG1 | CB1 | sing | 1.43Å | 1.45Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.36Å | 1.25Å | |
| C2 | N3 | sing | 1.37Å | 1.41Å | Aromatic |
| N3 | CA3 | sing | 1.47Å | 1.46Å | |
| CA1 | N1 | sing | 1.47Å | 1.48Å | |
| CA1 | CB1 | sing | 1.53Å | 1.55Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CA3 | C3 | sing | 1.51Å | 1.44Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | doub | 1.21Å | 1.29Å | |
| CB2 | CG2 | sing | 1.51Å | 1.39Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CG2 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CG2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | sing | 1.39Å | 1.36Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | sing | 1.38Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | doub | 1.39Å | 1.37Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.36Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| C3 | OXT | sing | 1.34Å | 8.56Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | N3 | 108.4° | 108.6° |
| N2 | C1 | CA1 | 124.9° | 125.7° |
| C1 | N2 | CA2 | 108.1° | 109.4° |
| N3 | C1 | CA1 | 126.8° | 125.7° |
| C1 | N3 | C2 | 110.0° | 107.1° |
| C1 | N3 | CA3 | 133.5° | 126.4° |
| C1 | CA1 | N1 | 111.4° | 109.5° |
| C1 | CA1 | CB1 | 110.5° | 109.5° |
| C1 | CA1 | HA1 | 108.0° | 109.5° |
| N2 | CA2 | C2 | 110.4° | 108.1° |
| N2 | CA2 | CB2 | 124.1° | 125.9° |
| C2 | CA2 | CB2 | 125.5° | 126.0° |
| CA2 | C2 | O2 | 138.7° | 126.6° |
| CA2 | C2 | N3 | 103.2° | 106.8° |
| CA2 | CB2 | CG2 | 115.0° | 109.5° |
| CA2 | CB2 | HB21 | 108.1° | 109.5° |
| CA2 | CB2 | HB22 | 108.1° | 109.5° |
| CB1 | CG1 | HG11 | 109.5° | 109.5° |
| CB1 | CG1 | HG12 | 109.5° | 109.5° |
| CB1 | CG1 | HG13 | 109.4° | 109.5° |
| CG1 | CB1 | OG1 | 107.3° | 109.5° |
| CG1 | CB1 | CA1 | 110.6° | 109.5° |
| CG1 | CB1 | HB1 | 111.4° | 109.5° |
| HG11 | CG1 | HG12 | 109.4° | 109.5° |
| HG11 | CG1 | HG13 | 109.5° | 109.5° |
| HG12 | CG1 | HG13 | 109.5° | 109.4° |
| CB1 | OG1 | HG1 | 109.5° | 114.0° |
| OG1 | CB1 | CA1 | 106.1° | 109.5° |
| OG1 | CB1 | HB1 | 111.4° | 109.4° |
| O2 | C2 | N3 | 118.1° | 126.6° |
| C2 | N3 | CA3 | 116.6° | 126.4° |
| N3 | CA3 | C3 | 117.8° | 109.5° |
| N3 | CA3 | HA31 | 107.4° | 109.4° |
| N3 | CA3 | HA32 | 107.4° | 109.4° |
| N1 | CA1 | CB1 | 111.4° | 109.5° |
| N1 | CA1 | HA1 | 108.1° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| CB1 | CA1 | HA1 | 107.3° | 109.5° |
| CA1 | CB1 | HB1 | 109.8° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| C3 | CA3 | HA31 | 107.3° | 109.5° |
| C3 | CA3 | HA32 | 107.4° | 109.5° |
| CA3 | C3 | O3 | 121.6° | 120.0° |
| CA3 | C3 | OXT | 28.3° | 120.0° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
| O3 | C3 | OXT | 142.6° | 120.0° |
| CG2 | CB2 | HB21 | 108.1° | 109.4° |
| CG2 | CB2 | HB22 | 108.1° | 109.5° |
| CB2 | CG2 | CD1 | 120.1° | 119.9° |
| CB2 | CG2 | CD2 | 125.7° | 119.9° |
| HB21 | CB2 | HB22 | 109.5° | 109.5° |
| CD1 | CG2 | CD2 | 114.2° | 120.1° |
| CG2 | CD1 | CE1 | 123.4° | 120.0° |
| CG2 | CD1 | HD1 | 118.3° | 120.0° |
| CG2 | CD2 | CE2 | 121.9° | 120.1° |
| CG2 | CD2 | HD2 | 119.0° | 120.0° |
| CE1 | CD1 | HD1 | 118.3° | 120.0° |
| CD1 | CE1 | CZ | 121.2° | 119.9° |
| CD1 | CE1 | HE1 | 119.4° | 120.0° |
| CZ | CE1 | HE1 | 119.4° | 120.0° |
| CE1 | CZ | CE2 | 116.5° | 119.9° |
| CE1 | CZ | OH | 120.1° | 120.0° |
| CE2 | CD2 | HD2 | 119.0° | 120.0° |
| CD2 | CE2 | CZ | 122.7° | 120.0° |
| CD2 | CE2 | HE2 | 118.6° | 120.0° |
| CZ | CE2 | HE2 | 118.6° | 120.0° |
| CE2 | CZ | OH | 123.4° | 120.1° |
| CZ | OH | HOH | 109.5° | 114.0° |
| C3 | OXT | HXT | 90.0° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | N3 | CA1 | 179.9° | 179.7° |
| C1 | N2 | CA2 | C2 | 0.1° | 0.1° |
| C1 | N2 | CA2 | CB2 | 179.8° | 179.9° |
| N2 | C1 | N3 | C2 | 0.1° | 0.0° |
| N2 | C1 | N3 | CA3 | 179.9° | 180.0° |
| N2 | C1 | CA1 | N1 | 103.5° | 45.0° |
| N2 | C1 | CA1 | CB1 | 20.8° | 75.0° |
| N2 | C1 | CA1 | HA1 | 137.9° | 165.0° |
| N3 | C1 | N2 | CA2 | 0.1° | 0.0° |
| C1 | N3 | C2 | CA2 | 0.0° | 0.0° |
| C1 | N3 | C2 | O2 | 179.8° | 180.0° |
| C1 | N3 | C2 | CA3 | 179.9° | 179.9° |
| N3 | C1 | CA1 | N1 | 76.4° | 134.7° |
| N3 | C1 | CA1 | CB1 | 159.3° | 105.3° |
| N3 | C1 | CA1 | HA1 | 42.2° | 14.7° |
| C1 | N3 | CA3 | C3 | 82.9° | 90.0° |
| C1 | N3 | CA3 | HA31 | 155.9° | 150.0° |
| C1 | N3 | CA3 | HA32 | 38.3° | 30.0° |
| CA1 | C1 | N2 | CA2 | 179.9° | 179.7° |
| C1 | CA1 | CB1 | CG1 | 167.7° | 175.0° |
| C1 | CA1 | CB1 | OG1 | 51.6° | 55.0° |
| CA1 | C1 | N3 | C2 | 180.0° | 179.7° |
| CA1 | C1 | N3 | CA3 | 0.1° | 0.3° |
| C1 | CA1 | N1 | CB1 | 123.8° | 120.0° |
| C1 | CA1 | N1 | HA1 | 118.5° | 120.0° |
| C1 | CA1 | CB1 | HA1 | 117.5° | 120.0° |
| C1 | CA1 | N1 | H | 180.0° | 60.0° |
| C1 | CA1 | N1 | H2 | 60.0° | 176.1° |
| C1 | CA1 | CB1 | HB1 | 68.9° | 65.0° |
| N2 | CA2 | C2 | CB2 | 179.6° | 179.9° |
| N2 | CA2 | C2 | O2 | 179.9° | 180.0° |
| N2 | CA2 | C2 | N3 | 0.1° | 0.1° |
| N2 | CA2 | CB2 | CG2 | 8.2° | 90.1° |
| N2 | CA2 | CB2 | HB21 | 129.0° | 149.9° |
| N2 | CA2 | CB2 | HB22 | 112.6° | 29.9° |
| CA2 | C2 | O2 | N3 | 179.7° | 179.9° |
| CA2 | C2 | N3 | CA3 | 179.9° | 180.0° |
| C2 | CA2 | CB2 | CG2 | 171.4° | 90.0° |
| C2 | CA2 | CB2 | HB21 | 50.5° | 29.9° |
| C2 | CA2 | CB2 | HB22 | 67.8° | 150.0° |
| CB2 | CA2 | C2 | O2 | 0.5° | 0.1° |
| CB2 | CA2 | C2 | N3 | 179.7° | 180.0° |
| CA2 | CB2 | CG2 | HB21 | 120.8° | 120.0° |
| CA2 | CB2 | CG2 | HB22 | 120.8° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 117.5° | 120.1° |
| CA2 | CB2 | CG2 | CD1 | 75.5° | 90.0° |
| CA2 | CB2 | CG2 | CD2 | 104.4° | 90.3° |
| CB1 | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| CB1 | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| CB1 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| CG1 | CB1 | OG1 | CA1 | 118.3° | 120.0° |
| CG1 | CB1 | OG1 | HB1 | 122.2° | 120.0° |
| CG1 | CB1 | OG1 | HG1 | 180.0° | 60.0° |
| CG1 | CB1 | CA1 | N1 | 43.4° | 55.0° |
| CG1 | CB1 | CA1 | HB1 | 123.4° | 120.0° |
| CG1 | CB1 | CA1 | HA1 | 74.7° | 65.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| HG11 | CG1 | CB1 | OG1 | 180.0° | 60.0° |
| HG11 | CG1 | CB1 | CA1 | 64.6° | 180.0° |
| HG11 | CG1 | CB1 | HB1 | 57.8° | 60.0° |
| HG12 | CG1 | CB1 | OG1 | 60.0° | 180.0° |
| HG12 | CG1 | CB1 | CA1 | 55.3° | 60.0° |
| HG12 | CG1 | CB1 | HB1 | 177.8° | 60.0° |
| HG13 | CG1 | CB1 | OG1 | 60.0° | 60.0° |
| HG13 | CG1 | CB1 | CA1 | 175.4° | 60.0° |
| HG13 | CG1 | CB1 | HB1 | 62.2° | 180.0° |
| OG1 | CB1 | CA1 | N1 | 72.7° | 65.0° |
| OG1 | CB1 | CA1 | HB1 | 120.5° | 119.9° |
| OG1 | CB1 | CA1 | HA1 | 169.1° | 175.0° |
| HG1 | OG1 | CB1 | CA1 | 61.7° | 60.1° |
| HG1 | OG1 | CB1 | HB1 | 57.8° | 180.0° |
| O2 | C2 | N3 | CA3 | 0.1° | 0.1° |
| C2 | N3 | CA3 | C3 | 97.0° | 90.0° |
| C2 | N3 | CA3 | HA31 | 24.2° | 30.1° |
| C2 | N3 | CA3 | HA32 | 141.8° | 150.0° |
| N3 | CA3 | C3 | HA31 | 121.2° | 120.0° |
| N3 | CA3 | C3 | HA32 | 121.2° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 116.2° | 119.9° |
| N3 | CA3 | C3 | O3 | 161.1° | 0.0° |
| N3 | CA3 | C3 | OXT | 53.4° | 180.0° |
| N1 | CA1 | CB1 | HA1 | 118.2° | 120.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | HB1 | 166.8° | 175.0° |
| CB1 | CA1 | N1 | H | 56.2° | 60.0° |
| CB1 | CA1 | N1 | H2 | 176.2° | 63.9° |
| HA1 | CA1 | N1 | H | 61.5° | 180.0° |
| HA1 | CA1 | N1 | H2 | 58.6° | 56.1° |
| HA1 | CA1 | CB1 | HB1 | 48.6° | 55.0° |
| C3 | CA3 | HA31 | HA32 | 116.2° | 120.0° |
| CA3 | C3 | O3 | OXT | 26.2° | 180.0° |
| CA3 | C3 | OXT | HXT | 90.0° | 180.0° |
| HA31 | CA3 | C3 | O3 | 39.9° | 120.0° |
| HA31 | CA3 | C3 | OXT | 174.6° | 60.0° |
| HA32 | CA3 | C3 | O3 | 77.7° | 120.0° |
| HA32 | CA3 | C3 | OXT | 67.8° | 60.0° |
| O3 | C3 | OXT | HXT | 90.0° | 0.0° |
| CG2 | CB2 | HB21 | HB22 | 117.5° | 120.0° |
| CB2 | CG2 | CD1 | CD2 | 180.0° | 179.7° |
| CB2 | CG2 | CD1 | CE1 | 179.9° | 180.0° |
| CB2 | CG2 | CD1 | HD1 | 0.1° | 0.1° |
| CB2 | CG2 | CD2 | CE2 | 179.9° | 180.0° |
| CB2 | CG2 | CD2 | HD2 | 0.0° | 0.0° |
| HB21 | CB2 | CG2 | CD1 | 163.6° | 30.0° |
| HB21 | CB2 | CG2 | CD2 | 16.4° | 149.7° |
| HB22 | CB2 | CG2 | CD1 | 45.3° | 150.0° |
| HB22 | CB2 | CG2 | CD2 | 134.8° | 29.7° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG2 | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG2 | CD1 | CE1 | HE1 | 179.8° | 179.9° |
| CD1 | CG2 | CD2 | CE2 | 0.0° | 0.3° |
| CD1 | CG2 | CD2 | HD2 | 180.0° | 179.7° |
| CD2 | CG2 | CD1 | CE1 | 0.1° | 0.3° |
| CD2 | CG2 | CD1 | HD1 | 179.9° | 179.7° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG2 | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CG2 | CD2 | CE2 | HE2 | 179.9° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.3° |
| CD1 | CE1 | CZ | OH | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| CE1 | CZ | CE2 | CD2 | 0.0° | 0.3° |
| CE1 | CZ | CE2 | OH | 179.9° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 180.0° | 179.7° |
| CE1 | CZ | OH | HOH | 180.0° | 90.0° |
| HE1 | CE1 | CZ | CE2 | 179.9° | 179.8° |
| HE1 | CE1 | CZ | OH | 0.2° | 0.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | OH | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
| CE2 | CZ | OH | HOH | 0.1° | 89.7° |
| HE2 | CE2 | CZ | OH | 0.0° | 0.1° |
