5CU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | sing | 1.36Å | 1.32Å | |
| N1 | C2 | sing | 1.34Å | 1.40Å | |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | |
| C2 | N3 | sing | 1.34Å | 1.39Å | |
| O53 | C51 | doub | 1.22Å | 1.25Å | |
| C5 | C51 | sing | 1.47Å | 1.40Å | |
| C5 | C4 | sing | 1.47Å | 1.41Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| C51 | O52 | sing | 1.35Å | 1.25Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| O52 | H1 | sing | 0.97Å | 0.95Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 121.7° | 121.5° |
| N1 | C6 | C5 | 121.3° | 119.4° |
| N1 | C6 | H4 | 119.4° | 120.3° |
| C6 | N1 | H2 | 119.2° | 119.3° |
| N1 | C2 | O2 | 120.7° | 118.9° |
| N1 | C2 | N3 | 119.2° | 122.2° |
| C2 | N1 | H2 | 119.1° | 119.3° |
| O2 | C2 | N3 | 120.1° | 118.9° |
| C6 | C5 | C51 | 118.2° | 121.0° |
| C6 | C5 | C4 | 118.5° | 118.1° |
| C5 | C6 | H4 | 119.4° | 120.3° |
| C2 | N3 | C4 | 119.5° | 120.4° |
| C2 | N3 | H3 | 120.3° | 119.7° |
| O53 | C51 | C5 | 120.2° | 120.0° |
| O53 | C51 | O52 | 118.5° | 120.1° |
| C51 | C5 | C4 | 123.3° | 120.9° |
| C5 | C51 | O52 | 121.3° | 120.0° |
| C5 | C4 | N3 | 119.9° | 118.5° |
| C5 | C4 | O4 | 123.1° | 120.7° |
| N3 | C4 | O4 | 116.9° | 120.8° |
| C4 | N3 | H3 | 120.3° | 119.8° |
| C51 | O52 | H1 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | H2 | 180.0° | 179.4° |
| C6 | N1 | C2 | O2 | 179.9° | 179.7° |
| N1 | C6 | C5 | H4 | 180.0° | 179.5° |
| C6 | N1 | C2 | N3 | 0.1° | 0.3° |
| N1 | C6 | C5 | C51 | 179.2° | 179.8° |
| N1 | C6 | C5 | C4 | 0.1° | 0.6° |
| N1 | C2 | O2 | N3 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.6° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| N1 | C2 | N3 | H3 | 179.9° | 179.9° |
| C2 | N1 | C6 | H4 | 180.0° | 179.9° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2 | C2 | N3 | H3 | 0.1° | 0.1° |
| O2 | C2 | N1 | H2 | 0.1° | 0.3° |
| C6 | C5 | C51 | O53 | 6.4° | 0.3° |
| C6 | C5 | C51 | C4 | 179.1° | 179.7° |
| C6 | C5 | C4 | N3 | 0.1° | 0.3° |
| C6 | C5 | C51 | O52 | 176.9° | 179.4° |
| C6 | C5 | C4 | O4 | 179.9° | 179.7° |
| C5 | C6 | N1 | H2 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.9° | 180.0° |
| N3 | C2 | N1 | H2 | 179.9° | 179.7° |
| O53 | C51 | C5 | O52 | 176.8° | 179.7° |
| O53 | C51 | C5 | C4 | 172.7° | 180.0° |
| O53 | C51 | O52 | H1 | 0.0° | 0.1° |
| C51 | C5 | C4 | N3 | 179.2° | 179.9° |
| C51 | C5 | C4 | O4 | 1.0° | 0.0° |
| C5 | C51 | O52 | H1 | 176.8° | 179.8° |
| C51 | C5 | C6 | H4 | 0.8° | 0.3° |
| C5 | C4 | N3 | O4 | 179.8° | 180.0° |
| C4 | C5 | C51 | O52 | 4.1° | 0.2° |
| C5 | C4 | N3 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H4 | 179.9° | 180.0° |
| O4 | C4 | N3 | H3 | 0.1° | 0.0° |
| H4 | C6 | N1 | H2 | 0.0° | 0.5° |
