UC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C2 | sing | 1.74Å | 1.76Å | |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.52Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.42Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O7 | C7 | doub | 1.21Å | 1.20Å | |
| C7 | O8 | sing | 1.35Å | 1.31Å | |
| O8 | C8 | sing | 1.45Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C8 | C10 | sing | 1.53Å | 1.49Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å | |
| OA | CB | sing | 1.33Å | 1.37Å | |
| OA | CE | sing | 1.42Å | 1.41Å | |
| CB | CC | doub | 1.33Å | 1.35Å | |
| CB | CF | sing | 1.51Å | 1.45Å | |
| CC | S | sing | 1.76Å | 1.77Å | |
| CC | CG | sing | 1.46Å | 1.54Å | |
| S | CD | sing | 1.82Å | 1.80Å | |
| CD | CE | sing | 1.54Å | 1.47Å | |
| CD | HD1 | sing | 1.09Å | 1.11Å | |
| CD | HD2 | sing | 1.09Å | 1.11Å | |
| CE | HE1 | sing | 1.09Å | 1.11Å | |
| CE | HE2 | sing | 1.09Å | 1.12Å | |
| CF | HF1 | sing | 1.09Å | 1.12Å | |
| CF | HF2 | sing | 1.09Å | 1.11Å | |
| CF | HF3 | sing | 1.09Å | 1.11Å | |
| OG | CG | doub | 1.22Å | 1.22Å | |
| CG | N | sing | 1.35Å | 1.40Å | |
| N | HN | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C2 | C1 | 124.3° | 120.0° |
| CL | C2 | C3 | 116.1° | 120.1° |
| C2 | C1 | C6 | 118.4° | 119.8° |
| C2 | C1 | C7 | 127.4° | 120.1° |
| C1 | C2 | C3 | 119.7° | 119.9° |
| C6 | C1 | C7 | 114.2° | 120.1° |
| C1 | C6 | C5 | 121.2° | 119.8° |
| C1 | C6 | H6 | 119.2° | 120.2° |
| C1 | C7 | O7 | 122.8° | 120.0° |
| C1 | C7 | O8 | 113.2° | 120.0° |
| C2 | C3 | C4 | 121.0° | 120.2° |
| C2 | C3 | H3 | 120.9° | 119.8° |
| C4 | C3 | H3 | 118.2° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.3° |
| C3 | C4 | H4 | 118.4° | 119.8° |
| C5 | C4 | H4 | 121.1° | 120.0° |
| C4 | C5 | C6 | 119.2° | 120.1° |
| C4 | C5 | N | 119.7° | 119.9° |
| C6 | C5 | N | 121.0° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.1° |
| C5 | N | CG | 131.1° | 120.0° |
| C5 | N | HN | 115.7° | 120.0° |
| O7 | C7 | O8 | 124.1° | 120.0° |
| C7 | O8 | C8 | 117.7° | 120.0° |
| O8 | C8 | C9 | 106.1° | 109.5° |
| O8 | C8 | C10 | 106.0° | 109.5° |
| O8 | C8 | H8 | 115.8° | 109.5° |
| C9 | C8 | C10 | 114.8° | 109.4° |
| C9 | C8 | H8 | 107.2° | 109.5° |
| C8 | C9 | H91 | 106.1° | 109.5° |
| C8 | C9 | H92 | 113.5° | 109.4° |
| C8 | C9 | H93 | 113.5° | 109.5° |
| C10 | C8 | H8 | 107.3° | 109.4° |
| C8 | C10 | H101 | 105.9° | 109.5° |
| C8 | C10 | H102 | 113.5° | 109.5° |
| C8 | C10 | H103 | 113.5° | 109.5° |
| H91 | C9 | H92 | 113.4° | 109.5° |
| H91 | C9 | H93 | 113.5° | 109.5° |
| H92 | C9 | H93 | 97.0° | 109.5° |
| H101 | C10 | H102 | 113.5° | 109.4° |
| H101 | C10 | H103 | 113.6° | 109.5° |
| H102 | C10 | H103 | 97.0° | 109.5° |
| CB | OA | CE | 119.6° | 112.9° |
| OA | CB | CC | 123.9° | 129.9° |
| OA | CB | CF | 108.4° | 115.1° |
| OA | CE | CD | 113.4° | 109.5° |
| OA | CE | HE1 | 110.7° | 109.4° |
| OA | CE | HE2 | 110.7° | 109.4° |
| CC | CB | CF | 127.7° | 115.1° |
| CB | CC | S | 122.0° | 121.7° |
| CB | CC | CG | 123.7° | 119.2° |
| CB | CF | HF1 | 108.4° | 109.5° |
| CB | CF | HF2 | 112.6° | 109.5° |
| CB | CF | HF3 | 112.6° | 109.4° |
| S | CC | CG | 114.3° | 119.1° |
| CC | S | CD | 101.1° | 98.3° |
| CC | CG | OG | 121.8° | 120.1° |
| CC | CG | N | 117.6° | 120.0° |
| S | CD | CE | 111.9° | 106.7° |
| S | CD | HD1 | 111.3° | 110.2° |
| S | CD | HD2 | 111.3° | 109.9° |
| CE | CD | HD1 | 111.3° | 110.0° |
| CE | CD | HD2 | 111.3° | 110.0° |
| CD | CE | HE1 | 110.8° | 109.4° |
| CD | CE | HE2 | 110.8° | 109.5° |
| HD1 | CD | HD2 | 99.1° | 110.1° |
| HE1 | CE | HE2 | 99.6° | 109.5° |
| HF1 | CF | HF2 | 112.6° | 109.5° |
| HF1 | CF | HF3 | 112.6° | 109.5° |
| HF2 | CF | HF3 | 97.9° | 109.4° |
| OG | CG | N | 120.6° | 119.9° |
| CG | N | HN | 113.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C2 | C1 | C3 | 179.0° | 179.5° |
| CL | C2 | C1 | C6 | 178.8° | 179.9° |
| CL | C2 | C1 | C7 | 0.5° | 0.2° |
| CL | C2 | C3 | C4 | 178.4° | 180.0° |
| CL | C2 | C3 | H3 | 1.7° | 0.2° |
| C2 | C1 | C6 | C7 | 178.5° | 179.7° |
| C1 | C2 | C3 | C4 | 0.7° | 0.5° |
| C1 | C2 | C3 | H3 | 179.2° | 179.8° |
| C2 | C1 | C6 | C5 | 0.8° | 0.3° |
| C2 | C1 | C6 | H6 | 179.2° | 179.8° |
| C2 | C1 | C7 | O7 | 127.1° | 0.3° |
| C2 | C1 | C7 | O8 | 53.1° | 179.7° |
| C6 | C1 | C2 | C3 | 0.2° | 0.6° |
| C1 | C6 | C5 | C4 | 1.3° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | N | 176.4° | 180.0° |
| C6 | C1 | C7 | O7 | 51.3° | 180.0° |
| C6 | C1 | C7 | O8 | 128.5° | 0.1° |
| C7 | C1 | C2 | C3 | 178.6° | 179.8° |
| C7 | C1 | C6 | C5 | 177.8° | 180.0° |
| C7 | C1 | C6 | H6 | 2.3° | 0.1° |
| C1 | C7 | O7 | O8 | 179.7° | 180.0° |
| C1 | C7 | O8 | C8 | 111.7° | 180.0° |
| C2 | C3 | C4 | H3 | 179.9° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| C2 | C3 | C4 | H4 | 179.9° | 179.7° |
| C3 | C4 | C5 | H4 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.8° | 0.1° |
| C3 | C4 | C5 | N | 177.0° | 180.0° |
| H3 | C3 | C4 | C5 | 179.7° | 179.9° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| C4 | C5 | C6 | N | 177.7° | 180.0° |
| C4 | C5 | C6 | H6 | 178.7° | 179.9° |
| C4 | C5 | N | CG | 162.7° | 146.6° |
| C4 | C5 | N | HN | 17.3° | 33.4° |
| H4 | C4 | C5 | C6 | 179.2° | 180.0° |
| H4 | C4 | C5 | N | 3.1° | 0.0° |
| C6 | C5 | N | CG | 15.0° | 33.4° |
| C6 | C5 | N | HN | 165.0° | 146.5° |
| N | C5 | C6 | H6 | 3.6° | 0.1° |
| C5 | N | CG | CC | 26.2° | 174.5° |
| C5 | N | CG | OG | 153.7° | 5.6° |
| C5 | N | CG | HN | 180.0° | 179.9° |
| O7 | C7 | O8 | C8 | 68.1° | 0.0° |
| C7 | O8 | C8 | C9 | 117.4° | 150.0° |
| C7 | O8 | C8 | C10 | 120.2° | 90.0° |
| C7 | O8 | C8 | H8 | 1.3° | 30.0° |
| O8 | C8 | C9 | C10 | 116.6° | 120.0° |
| O8 | C8 | C9 | H8 | 124.3° | 120.1° |
| O8 | C8 | C10 | H8 | 124.3° | 120.0° |
| O8 | C8 | C9 | H91 | 180.0° | 180.0° |
| O8 | C8 | C9 | H92 | 54.8° | 60.0° |
| O8 | C8 | C9 | H93 | 54.7° | 60.0° |
| O8 | C8 | C10 | H101 | 180.0° | 60.0° |
| O8 | C8 | C10 | H102 | 54.8° | 60.0° |
| O8 | C8 | C10 | H103 | 54.8° | 180.0° |
| C9 | C8 | C10 | H8 | 119.0° | 120.0° |
| C8 | C9 | H91 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H93 | 125.3° | 120.0° |
| C8 | C9 | H92 | H93 | 119.5° | 120.0° |
| C9 | C8 | C10 | H101 | 63.3° | 60.0° |
| C9 | C8 | C10 | H102 | 61.9° | 180.0° |
| C9 | C8 | C10 | H103 | 171.4° | 60.0° |
| C10 | C8 | C9 | H91 | 63.4° | 60.0° |
| C10 | C8 | C9 | H92 | 171.4° | 180.0° |
| C10 | C8 | C9 | H93 | 61.9° | 60.0° |
| C8 | C10 | H101 | H102 | 125.2° | 120.0° |
| C8 | C10 | H101 | H103 | 125.2° | 120.0° |
| C8 | C10 | H102 | H103 | 119.5° | 120.0° |
| H8 | C8 | C9 | H91 | 55.7° | 60.0° |
| H8 | C8 | C9 | H92 | 69.5° | 60.0° |
| H8 | C8 | C9 | H93 | 179.0° | 180.0° |
| H8 | C8 | C10 | H101 | 55.7° | 180.0° |
| H8 | C8 | C10 | H102 | 179.1° | 60.0° |
| H8 | C8 | C10 | H103 | 69.6° | 60.0° |
| H91 | C9 | H92 | H93 | 119.3° | 120.0° |
| H101 | C10 | H102 | H103 | 119.5° | 120.0° |
| OA | CB | CC | CF | 179.7° | 180.0° |
| OA | CB | CC | S | 12.7° | 2.8° |
| OA | CB | CC | CG | 168.5° | 177.5° |
| CB | OA | CE | CD | 56.5° | 63.3° |
| CB | OA | CE | HE1 | 178.2° | 176.8° |
| CB | OA | CE | HE2 | 68.7° | 56.9° |
| OA | CB | CF | HF1 | 180.0° | 0.0° |
| OA | CB | CF | HF2 | 54.8° | 120.1° |
| OA | CB | CF | HF3 | 54.8° | 120.0° |
| CE | OA | CB | CC | 31.5° | 26.5° |
| CE | OA | CB | CF | 148.2° | 153.5° |
| OA | CE | CD | S | 58.7° | 72.8° |
| OA | CE | CD | HE1 | 125.2° | 120.0° |
| OA | CE | CD | HE2 | 125.2° | 120.0° |
| OA | CE | CD | HD1 | 176.0° | 46.7° |
| OA | CE | CD | HD2 | 66.5° | 168.1° |
| OA | CE | HE1 | HE2 | 116.6° | 119.9° |
| CB | CC | S | CG | 179.0° | 179.7° |
| CB | CC | S | CD | 15.2° | 12.1° |
| CC | CB | CF | HF1 | 0.3° | 180.0° |
| CC | CB | CF | HF2 | 124.9° | 59.9° |
| CC | CB | CF | HF3 | 125.5° | 60.0° |
| CB | CC | CG | OG | 142.7° | 0.0° |
| CB | CC | CG | N | 37.3° | 179.9° |
| CF | CB | CC | S | 167.0° | 177.2° |
| CF | CB | CC | CG | 11.9° | 2.5° |
| CB | CF | HF1 | HF2 | 125.2° | 120.0° |
| CB | CF | HF1 | HF3 | 125.2° | 120.0° |
| CB | CF | HF2 | HF3 | 118.5° | 120.0° |
| CC | S | CD | CE | 36.6° | 42.9° |
| CC | S | CD | HD1 | 161.8° | 76.5° |
| CC | S | CD | HD2 | 88.7° | 162.1° |
| S | CC | CG | OG | 36.3° | 179.7° |
| S | CC | CG | N | 143.7° | 0.2° |
| CG | CC | S | CD | 165.8° | 168.2° |
| CC | CG | OG | N | 180.0° | 179.9° |
| CC | CG | N | HN | 153.8° | 5.4° |
| S | CD | CE | HD1 | 125.3° | 119.5° |
| S | CD | CE | HD2 | 125.2° | 119.1° |
| S | CD | HD1 | HD2 | 117.2° | 121.3° |
| S | CD | CE | HE1 | 176.1° | 167.2° |
| S | CD | CE | HE2 | 66.5° | 47.2° |
| CE | CD | HD1 | HD2 | 117.2° | 121.3° |
| CD | CE | HE1 | HE2 | 116.7° | 120.1° |
| HD1 | CD | CE | HE1 | 50.8° | 73.3° |
| HD1 | CD | CE | HE2 | 58.7° | 166.7° |
| HD2 | CD | CE | HE1 | 58.7° | 48.1° |
| HD2 | CD | CE | HE2 | 168.2° | 71.9° |
| HF1 | CF | HF2 | HF3 | 118.6° | 120.0° |
| OG | CG | N | HN | 26.3° | 174.5° |
