ZCY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.26Å | |
| C2 | N3 | sing | 1.33Å | 1.34Å | |
| C2 | N1 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | |
| C4 | N4 | sing | 1.38Å | 1.34Å | |
| C4 | C5 | sing | 1.41Å | 1.40Å | |
| C5 | C6 | doub | 1.35Å | 1.38Å | |
| C6 | N1 | sing | 1.36Å | 1.34Å | |
| N1 | C1G | sing | 1.46Å | 1.47Å | |
| C1G | C2G | sing | 1.53Å | 1.50Å | |
| C2G | O2G | sing | 1.43Å | 1.43Å | |
| C2G | C3G | sing | 1.53Å | 1.51Å | |
| O2G | H2G | sing | 0.97Å | 0.95Å | |
| C3G | O3G | sing | 1.43Å | 1.43Å | |
| O3G | P | sing | 1.61Å | 1.61Å | |
| P | O2P | sing | 1.61Å | 1.50Å | |
| P | O1P | doub | 1.48Å | 1.50Å | |
| N4 | H4N1 | sing | 0.97Å | 1.00Å | |
| N4 | H4N2 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1G | H1G1 | sing | 1.09Å | 1.10Å | |
| C1G | H1G2 | sing | 1.09Å | 1.10Å | |
| C2G | H2 | sing | 1.09Å | 1.10Å | |
| C3G | H3G1 | sing | 1.09Å | 1.10Å | |
| C3G | H3G2 | sing | 1.09Å | 1.10Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| P | OXT | sing | 1.61Å | 24.33Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 119.3° | 119.5° |
| O2 | C2 | N1 | 120.4° | 119.4° |
| N3 | C2 | N1 | 120.4° | 121.1° |
| C2 | N3 | C4 | 118.9° | 120.7° |
| C2 | N1 | C6 | 122.4° | 120.3° |
| C2 | N1 | C1G | 118.5° | 119.8° |
| N3 | C4 | N4 | 118.7° | 120.2° |
| N3 | C4 | C5 | 121.6° | 119.6° |
| N4 | C4 | C5 | 119.7° | 120.2° |
| C4 | N4 | H4N1 | 110.2° | 119.9° |
| C4 | N4 | H4N2 | 124.9° | 120.0° |
| C4 | C5 | C6 | 118.4° | 119.0° |
| C4 | C5 | H5 | 120.8° | 120.5° |
| C5 | C6 | N1 | 118.3° | 119.3° |
| C6 | C5 | H5 | 120.8° | 120.4° |
| C5 | C6 | H6 | 120.8° | 120.4° |
| C6 | N1 | C1G | 119.1° | 119.8° |
| N1 | C6 | H6 | 120.8° | 120.3° |
| N1 | C1G | C2G | 113.9° | 109.5° |
| N1 | C1G | H1G1 | 108.0° | 109.4° |
| N1 | C1G | H1G2 | 107.0° | 109.4° |
| C1G | C2G | O2G | 108.7° | 109.5° |
| C1G | C2G | C3G | 110.2° | 109.5° |
| C2G | C1G | H1G1 | 108.0° | 109.5° |
| C2G | C1G | H1G2 | 107.0° | 109.5° |
| C1G | C2G | H2 | 109.5° | 109.4° |
| O2G | C2G | C3G | 109.3° | 109.5° |
| C2G | O2G | H2G | 109.5° | 114.0° |
| O2G | C2G | H2 | 110.4° | 109.4° |
| C2G | C3G | O3G | 110.7° | 109.5° |
| C3G | C2G | H2 | 108.8° | 109.5° |
| C2G | C3G | H3G1 | 109.1° | 109.4° |
| C2G | C3G | H3G2 | 108.8° | 109.5° |
| C3G | O3G | P | 121.4° | 123.0° |
| O3G | C3G | H3G1 | 109.1° | 109.5° |
| O3G | C3G | H3G2 | 108.8° | 109.5° |
| O3G | P | O2P | 109.6° | 109.4° |
| O3G | P | O1P | 111.0° | 109.5° |
| O3G | P | OXT | 74.0° | 109.5° |
| O2P | P | O1P | 118.6° | 109.5° |
| P | O2P | H2P | 109.5° | 114.0° |
| O2P | P | OXT | 101.4° | 109.5° |
| O1P | P | OXT | 132.9° | 109.5° |
| H4N1 | N4 | H4N2 | 124.9° | 120.0° |
| H1G1 | C1G | H1G2 | 113.0° | 109.5° |
| H3G1 | C3G | H3G2 | 110.4° | 109.4° |
| P | OXT | HXT | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 178.7° | 179.7° |
| O2 | C2 | N3 | C4 | 178.6° | 180.0° |
| O2 | C2 | N1 | C6 | 177.5° | 179.7° |
| O2 | C2 | N1 | C1G | 4.5° | 0.1° |
| C2 | N3 | C4 | N4 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 1.4° | 0.1° |
| N3 | C2 | N1 | C6 | 1.1° | 0.6° |
| N3 | C2 | N1 | C1G | 176.8° | 179.7° |
| N1 | C2 | N3 | C4 | 0.1° | 0.3° |
| C2 | N1 | C6 | C5 | 0.6° | 0.6° |
| C2 | N1 | C6 | C1G | 177.9° | 179.7° |
| C2 | N1 | C1G | C2G | 79.8° | 89.9° |
| C2 | N1 | C6 | H6 | 179.3° | 179.7° |
| C2 | N1 | C1G | H1G1 | 40.1° | 150.0° |
| C2 | N1 | C1G | H1G2 | 162.1° | 30.0° |
| N3 | C4 | N4 | C5 | 178.7° | 179.9° |
| N3 | C4 | C5 | C6 | 1.9° | 0.1° |
| N3 | C4 | N4 | H4N1 | 180.0° | 0.1° |
| N3 | C4 | N4 | H4N2 | 0.0° | 180.0° |
| N3 | C4 | C5 | H5 | 178.1° | 180.0° |
| N4 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | N4 | H4N1 | H4N2 | 180.0° | 179.9° |
| N4 | C4 | C5 | H5 | 0.6° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | N1 | 0.8° | 0.3° |
| C5 | C4 | N4 | H4N1 | 1.3° | 180.0° |
| C5 | C4 | N4 | H4N2 | 178.7° | 0.1° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| C5 | C6 | N1 | H6 | 180.0° | 179.7° |
| C5 | C6 | N1 | C1G | 177.3° | 179.7° |
| C6 | N1 | C1G | C2G | 102.1° | 89.7° |
| N1 | C6 | C5 | H5 | 179.2° | 179.7° |
| C6 | N1 | C1G | H1G1 | 137.9° | 30.3° |
| C6 | N1 | C1G | H1G2 | 15.9° | 150.3° |
| N1 | C1G | C2G | H1G1 | 120.0° | 120.0° |
| N1 | C1G | C2G | H1G2 | 118.1° | 120.0° |
| N1 | C1G | C2G | O2G | 65.0° | 59.9° |
| N1 | C1G | C2G | C3G | 175.2° | 180.0° |
| C1G | N1 | C6 | H6 | 2.7° | 0.1° |
| N1 | C1G | H1G1 | H1G2 | 118.2° | 119.9° |
| N1 | C1G | C2G | H2 | 55.6° | 60.0° |
| C1G | C2G | O2G | C3G | 120.4° | 120.1° |
| C1G | C2G | O2G | H2 | 120.1° | 119.9° |
| C1G | C2G | C3G | H2 | 120.1° | 120.0° |
| C1G | C2G | O2G | H2G | 46.8° | 60.0° |
| C1G | C2G | C3G | O3G | 48.3° | 175.0° |
| C2G | C1G | H1G1 | H1G2 | 118.2° | 120.0° |
| C1G | C2G | C3G | H3G1 | 168.3° | 54.9° |
| C1G | C2G | C3G | H3G2 | 71.2° | 65.0° |
| O2G | C2G | C3G | H2 | 120.6° | 119.9° |
| O2G | C2G | C3G | O3G | 71.1° | 65.0° |
| O2G | C2G | C1G | H1G1 | 175.0° | 179.9° |
| O2G | C2G | C1G | H1G2 | 53.0° | 60.0° |
| O2G | C2G | C3G | H3G1 | 48.9° | 175.0° |
| O2G | C2G | C3G | H3G2 | 169.4° | 55.1° |
| C3G | C2G | O2G | H2G | 73.6° | 60.1° |
| C2G | C3G | O3G | H3G1 | 120.0° | 120.0° |
| C2G | C3G | O3G | H3G2 | 119.5° | 120.0° |
| C2G | C3G | O3G | P | 137.4° | 180.0° |
| C3G | C2G | C1G | H1G1 | 55.2° | 60.0° |
| C3G | C2G | C1G | H1G2 | 66.8° | 60.0° |
| C2G | C3G | H3G1 | H3G2 | 119.5° | 119.9° |
| H2G | O2G | C2G | H2 | 166.8° | 180.0° |
| C3G | O3G | P | O2P | 34.6° | 65.0° |
| C3G | O3G | P | O1P | 98.4° | 55.0° |
| O3G | C3G | C2G | H2 | 168.3° | 55.0° |
| O3G | C3G | H3G1 | H3G2 | 119.5° | 120.1° |
| C3G | O3G | P | OXT | 131.2° | 175.0° |
| O3G | P | O2P | O1P | 128.9° | 120.0° |
| O3G | P | O2P | OXT | 76.9° | 120.0° |
| O3G | P | O1P | OXT | 87.3° | 120.0° |
| P | O3G | C3G | H3G1 | 17.4° | 60.0° |
| P | O3G | C3G | H3G2 | 103.1° | 60.0° |
| O3G | P | O2P | H2P | 101.5° | 60.0° |
| O3G | P | OXT | HXT | 90.0° | 180.0° |
| O2P | P | O1P | OXT | 144.5° | 120.0° |
| O2P | P | OXT | HXT | 90.0° | 60.0° |
| O1P | P | O2P | H2P | 129.6° | 180.0° |
| O1P | P | OXT | HXT | 90.0° | 60.0° |
| H5 | C5 | C6 | H6 | 0.8° | 0.1° |
| H1G1 | C1G | C2G | H2 | 64.4° | 60.0° |
| H1G2 | C1G | C2G | H2 | 173.6° | 179.9° |
| H2 | C2G | C3G | H3G1 | 71.7° | 65.1° |
| H2 | C2G | C3G | H3G2 | 48.8° | 175.0° |
| H2P | O2P | P | OXT | 24.7° | 60.0° |
