UC2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C8 | sing | 1.34Å | 1.40Å | Aromatic |
| O7 | C11 | sing | 1.34Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.34Å | Aromatic |
| C8 | CA | sing | 1.51Å | 1.53Å | |
| C9 | C10 | sing | 1.47Å | 1.50Å | Aromatic |
| C9 | C | sing | 1.47Å | 1.52Å | |
| C10 | C11 | doub | 1.34Å | 1.34Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| CA | HA1 | sing | 1.09Å | 1.12Å | |
| CA | HA2 | sing | 1.09Å | 1.11Å | |
| CA | HA3 | sing | 1.09Å | 1.11Å | |
| C | S | doub | 1.71Å | 1.68Å | |
| C | N | sing | 1.35Å | 1.39Å | |
| N | C1 | sing | 1.40Å | 1.42Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | CB | sing | 1.48Å | 1.46Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | CL | sing | 1.74Å | 1.69Å | |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| CB | NC | doub | 1.29Å | 1.40Å | |
| CB | HB | sing | 1.08Å | 1.10Å | |
| NC | OD | sing | 1.42Å | 1.16Å | |
| OD | CE | sing | 1.43Å | 1.40Å | |
| CE | CF | sing | 1.53Å | 1.48Å | |
| CE | CG | sing | 1.53Å | 1.49Å | |
| CE | CH | sing | 1.53Å | 1.49Å | |
| CF | HF1 | sing | 1.09Å | 1.11Å | |
| CF | HF2 | sing | 1.09Å | 1.12Å | |
| CF | HF3 | sing | 1.09Å | 1.11Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| CH | HH1 | sing | 1.09Å | 1.11Å | |
| CH | HH2 | sing | 1.09Å | 1.11Å | |
| CH | HH3 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | O7 | C11 | 106.0° | 110.9° |
| O7 | C8 | C9 | 111.3° | 108.5° |
| O7 | C8 | CA | 115.7° | 125.8° |
| O7 | C11 | C10 | 111.1° | 109.1° |
| O7 | C11 | H11 | 126.1° | 125.4° |
| C9 | C8 | CA | 133.0° | 125.8° |
| C8 | C9 | C10 | 105.2° | 105.6° |
| C8 | C9 | C | 124.6° | 127.2° |
| C8 | CA | HA1 | 115.7° | 109.4° |
| C8 | CA | HA2 | 109.9° | 109.5° |
| C8 | CA | HA3 | 109.9° | 109.5° |
| C10 | C9 | C | 130.1° | 127.2° |
| C9 | C10 | C11 | 106.4° | 106.0° |
| C9 | C10 | H10 | 131.2° | 127.0° |
| C9 | C | S | 122.2° | 120.0° |
| C9 | C | N | 119.9° | 120.0° |
| C11 | C10 | H10 | 122.4° | 127.0° |
| C10 | C11 | H11 | 122.8° | 125.5° |
| HA1 | CA | HA2 | 109.9° | 109.5° |
| HA1 | CA | HA3 | 109.9° | 109.5° |
| HA2 | CA | HA3 | 100.4° | 109.5° |
| S | C | N | 117.9° | 120.0° |
| C | N | C1 | 126.3° | 120.0° |
| C | N | HN | 115.7° | 120.0° |
| C1 | N | HN | 118.0° | 120.0° |
| N | C1 | C2 | 122.9° | 120.0° |
| N | C1 | C6 | 117.8° | 120.0° |
| C2 | C1 | C6 | 119.3° | 120.0° |
| C1 | C2 | C3 | 120.5° | 119.8° |
| C1 | C2 | H2 | 119.9° | 120.1° |
| C1 | C6 | C5 | 120.3° | 120.3° |
| C1 | C6 | H6 | 120.8° | 119.9° |
| C3 | C2 | H2 | 119.6° | 120.1° |
| C2 | C3 | C4 | 119.7° | 119.7° |
| C2 | C3 | CB | 119.1° | 120.1° |
| C4 | C3 | CB | 121.2° | 120.2° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | CL | 121.1° | 120.0° |
| C3 | CB | NC | 116.3° | 120.0° |
| C3 | CB | HB | 123.6° | 120.0° |
| C5 | C4 | CL | 118.9° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C4 | C5 | H5 | 120.8° | 119.8° |
| C6 | C5 | H5 | 119.0° | 119.9° |
| C5 | C6 | H6 | 118.9° | 119.9° |
| NC | CB | HB | 120.0° | 120.0° |
| CB | NC | OD | 121.3° | 119.9° |
| NC | OD | CE | 113.0° | 106.7° |
| OD | CE | CF | 108.0° | 109.5° |
| OD | CE | CG | 110.1° | 109.4° |
| OD | CE | CH | 110.6° | 109.5° |
| CF | CE | CG | 109.7° | 109.4° |
| CF | CE | CH | 109.3° | 109.5° |
| CE | CF | HF1 | 108.0° | 109.5° |
| CE | CF | HF2 | 112.7° | 109.5° |
| CE | CF | HF3 | 112.7° | 109.4° |
| CG | CE | CH | 109.1° | 109.4° |
| CE | CG | HG1 | 110.1° | 109.5° |
| CE | CG | HG2 | 112.0° | 109.5° |
| CE | CG | HG3 | 112.0° | 109.4° |
| CE | CH | HH1 | 110.6° | 109.5° |
| CE | CH | HH2 | 111.8° | 109.5° |
| CE | CH | HH3 | 111.8° | 109.5° |
| HF1 | CF | HF2 | 112.7° | 109.5° |
| HF1 | CF | HF3 | 112.8° | 109.4° |
| HF2 | CF | HF3 | 97.7° | 109.5° |
| HG1 | CG | HG2 | 112.0° | 109.5° |
| HG1 | CG | HG3 | 112.0° | 109.5° |
| HG2 | CG | HG3 | 98.4° | 109.5° |
| HH1 | CH | HH2 | 111.9° | 109.4° |
| HH1 | CH | HH3 | 111.8° | 109.5° |
| HH2 | CH | HH3 | 98.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C8 | C9 | CA | 179.8° | 179.8° |
| O7 | C8 | C9 | C10 | 0.2° | 0.4° |
| O7 | C8 | C9 | C | 177.9° | 180.0° |
| C8 | O7 | C11 | C10 | 0.1° | 0.0° |
| C8 | O7 | C11 | H11 | 179.9° | 180.0° |
| O7 | C8 | CA | HA1 | 180.0° | 0.0° |
| O7 | C8 | CA | HA2 | 54.8° | 120.0° |
| O7 | C8 | CA | HA3 | 54.8° | 120.0° |
| C11 | O7 | C8 | C9 | 0.2° | 0.3° |
| C11 | O7 | C8 | CA | 180.0° | 180.0° |
| O7 | C11 | C10 | C9 | 0.0° | 0.2° |
| O7 | C11 | C10 | H11 | 180.0° | 179.9° |
| O7 | C11 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C | 177.9° | 179.7° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C8 | C9 | C10 | H10 | 179.9° | 179.8° |
| C9 | C8 | CA | HA1 | 0.2° | 179.7° |
| C9 | C8 | CA | HA2 | 125.4° | 60.2° |
| C9 | C8 | CA | HA3 | 125.1° | 59.8° |
| C8 | C9 | C | S | 30.2° | 0.4° |
| C8 | C9 | C | N | 150.0° | 179.6° |
| CA | C8 | C9 | C10 | 180.0° | 179.9° |
| CA | C8 | C9 | C | 1.9° | 0.2° |
| C8 | CA | HA1 | HA2 | 125.2° | 120.0° |
| C8 | CA | HA1 | HA3 | 125.2° | 120.0° |
| C8 | CA | HA2 | HA3 | 115.8° | 120.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | H11 | 180.0° | 179.7° |
| C10 | C9 | C | S | 147.3° | 180.0° |
| C10 | C9 | C | N | 32.4° | 0.1° |
| C | C9 | C10 | C11 | 177.8° | 180.0° |
| C | C9 | C10 | H10 | 2.2° | 0.2° |
| C9 | C | S | N | 179.8° | 180.0° |
| C9 | C | N | C1 | 23.8° | 174.3° |
| C9 | C | N | HN | 156.2° | 5.6° |
| H10 | C10 | C11 | H11 | 0.0° | 0.1° |
| HA1 | CA | HA2 | HA3 | 115.8° | 120.0° |
| S | C | N | C1 | 156.4° | 5.7° |
| S | C | N | HN | 23.6° | 174.4° |
| C | N | C1 | HN | 180.0° | 179.9° |
| C | N | C1 | C2 | 14.4° | 41.9° |
| C | N | C1 | C6 | 164.0° | 138.4° |
| N | C1 | C2 | C6 | 178.4° | 179.7° |
| N | C1 | C2 | C3 | 177.3° | 179.7° |
| N | C1 | C2 | H2 | 2.7° | 0.3° |
| N | C1 | C6 | C5 | 177.7° | 180.0° |
| N | C1 | C6 | H6 | 2.4° | 0.1° |
| HN | N | C1 | C2 | 165.5° | 137.9° |
| HN | N | C1 | C6 | 16.0° | 41.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 0.4° | 0.6° |
| C1 | C2 | C3 | CB | 179.2° | 179.7° |
| C2 | C1 | C6 | C5 | 0.8° | 0.3° |
| C2 | C1 | C6 | H6 | 179.1° | 179.8° |
| C6 | C1 | C2 | C3 | 1.1° | 0.6° |
| C6 | C1 | C2 | H2 | 178.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 179.9° | 179.9° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C2 | C3 | C4 | CB | 179.6° | 179.7° |
| C2 | C3 | C4 | C5 | 0.5° | 0.3° |
| C2 | C3 | C4 | CL | 176.0° | 179.7° |
| C2 | C3 | CB | NC | 33.0° | 179.7° |
| C2 | C3 | CB | HB | 147.0° | 0.3° |
| H2 | C2 | C3 | C4 | 179.6° | 179.9° |
| H2 | C2 | C3 | CB | 0.8° | 0.3° |
| C3 | C4 | C5 | CL | 176.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.1° |
| C3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C4 | C3 | CB | NC | 147.4° | 0.0° |
| C4 | C3 | CB | HB | 32.6° | 180.0° |
| CB | C3 | C4 | C5 | 179.9° | 180.0° |
| CB | C3 | C4 | CL | 3.6° | 0.0° |
| C3 | CB | NC | HB | 180.0° | 180.0° |
| C3 | CB | NC | OD | 179.5° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| CL | C4 | C5 | C6 | 175.8° | 180.0° |
| CL | C4 | C5 | H5 | 4.2° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| CB | NC | OD | CE | 161.6° | 180.0° |
| HB | CB | NC | OD | 0.5° | 0.0° |
| NC | OD | CE | CF | 170.3° | 60.0° |
| NC | OD | CE | CG | 69.9° | 180.0° |
| NC | OD | CE | CH | 50.8° | 60.0° |
| OD | CE | CF | CG | 120.0° | 120.0° |
| OD | CE | CF | CH | 120.4° | 120.1° |
| OD | CE | CG | CH | 121.6° | 120.0° |
| OD | CE | CF | HF1 | 180.0° | 59.9° |
| OD | CE | CF | HF2 | 54.7° | 180.0° |
| OD | CE | CF | HF3 | 54.7° | 60.0° |
| OD | CE | CG | HG1 | 180.0° | 59.9° |
| OD | CE | CG | HG2 | 54.7° | 180.0° |
| OD | CE | CG | HG3 | 54.7° | 60.0° |
| OD | CE | CH | HH1 | 180.0° | 60.0° |
| OD | CE | CH | HH2 | 54.7° | 180.0° |
| OD | CE | CH | HH3 | 54.7° | 60.0° |
| CF | CE | CG | CH | 119.7° | 120.0° |
| CE | CF | HF1 | HF2 | 125.2° | 120.1° |
| CE | CF | HF1 | HF3 | 125.3° | 119.9° |
| CE | CF | HF2 | HF3 | 118.6° | 120.0° |
| CF | CE | CG | HG1 | 61.3° | 180.0° |
| CF | CE | CG | HG2 | 173.4° | 59.9° |
| CF | CE | CG | HG3 | 64.0° | 60.0° |
| CF | CE | CH | HH1 | 61.2° | 60.0° |
| CF | CE | CH | HH2 | 64.1° | 59.9° |
| CF | CE | CH | HH3 | 173.5° | 179.9° |
| CG | CE | CF | HF1 | 60.0° | 60.1° |
| CG | CE | CF | HF2 | 65.2° | 60.0° |
| CG | CE | CF | HF3 | 174.7° | 180.0° |
| CE | CG | HG1 | HG2 | 125.3° | 120.0° |
| CE | CG | HG1 | HG3 | 125.3° | 119.9° |
| CE | CG | HG2 | HG3 | 117.9° | 119.9° |
| CG | CE | CH | HH1 | 58.7° | 180.0° |
| CG | CE | CH | HH2 | 175.9° | 60.0° |
| CG | CE | CH | HH3 | 66.5° | 60.0° |
| CH | CE | CF | HF1 | 59.6° | 180.0° |
| CH | CE | CF | HF2 | 175.2° | 59.9° |
| CH | CE | CF | HF3 | 65.7° | 60.1° |
| CH | CE | CG | HG1 | 58.4° | 60.0° |
| CH | CE | CG | HG2 | 66.9° | 60.1° |
| CH | CE | CG | HG3 | 176.3° | 180.0° |
| CE | CH | HH1 | HH2 | 125.3° | 120.0° |
| CE | CH | HH1 | HH3 | 125.2° | 120.1° |
| CE | CH | HH2 | HH3 | 117.6° | 120.0° |
| HF1 | CF | HF2 | HF3 | 118.8° | 119.9° |
| HG1 | CG | HG2 | HG3 | 117.9° | 120.1° |
| HH1 | CH | HH2 | HH3 | 117.7° | 119.9° |
