ZTH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | doub | 1.22Å | 1.26Å | |
| C4 | N3 | sing | 1.35Å | 1.34Å | |
| C4 | C5 | sing | 1.42Å | 1.39Å | |
| N3 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| C2 | N1 | sing | 1.35Å | 1.34Å | |
| C5 | C5M | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.35Å | 1.38Å | |
| C6 | N1 | sing | 1.37Å | 1.35Å | |
| N1 | C1G | sing | 1.47Å | 1.46Å | |
| C1G | C2G | sing | 1.53Å | 1.52Å | |
| C2G | O2G | sing | 1.43Å | 1.41Å | |
| C2G | C3G | sing | 1.53Å | 1.51Å | |
| P | OXT | sing | 1.61Å | 17.36Å | |
| C3G | O3G | sing | 1.43Å | 1.43Å | |
| O3G | P | sing | 1.61Å | 1.60Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| P | O2P | doub | 1.48Å | 1.50Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C5M | H5M1 | sing | 1.09Å | 1.10Å | |
| C5M | H5M2 | sing | 1.09Å | 1.10Å | |
| C5M | H5M3 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1G | H1G1 | sing | 1.09Å | 1.10Å | |
| C1G | H1G2 | sing | 1.09Å | 1.10Å | |
| C2G | H2G | sing | 1.09Å | 1.10Å | |
| C3G | H3G1 | sing | 1.09Å | 1.10Å | |
| C3G | H3G2 | sing | 1.09Å | 1.10Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| O2G | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | N3 | 120.0° | 120.3° |
| O4 | C4 | C5 | 122.1° | 120.3° |
| N3 | C4 | C5 | 117.9° | 119.4° |
| C4 | N3 | C2 | 123.8° | 120.3° |
| C4 | N3 | H3 | 118.1° | 119.9° |
| C4 | C5 | C5M | 122.8° | 120.4° |
| C4 | C5 | C6 | 118.1° | 119.1° |
| N3 | C2 | O2 | 120.9° | 119.5° |
| N3 | C2 | N1 | 119.0° | 120.9° |
| C2 | N3 | H3 | 118.1° | 119.9° |
| O2 | C2 | N1 | 120.1° | 119.5° |
| C2 | N1 | C6 | 119.8° | 120.6° |
| C2 | N1 | C1G | 121.5° | 119.7° |
| C5M | C5 | C6 | 119.1° | 120.5° |
| C5 | C5M | H5M1 | 109.5° | 109.5° |
| C5 | C5M | H5M2 | 109.5° | 109.4° |
| C5 | C5M | H5M3 | 109.4° | 109.4° |
| C5 | C6 | N1 | 121.4° | 119.7° |
| C5 | C6 | H6 | 119.3° | 120.1° |
| C6 | N1 | C1G | 118.7° | 119.7° |
| N1 | C6 | H6 | 119.3° | 120.2° |
| N1 | C1G | C2G | 113.6° | 109.4° |
| N1 | C1G | H1G1 | 108.1° | 109.5° |
| N1 | C1G | H1G2 | 107.2° | 109.5° |
| C1G | C2G | O2G | 105.9° | 109.5° |
| C1G | C2G | C3G | 109.8° | 109.4° |
| C2G | C1G | H1G1 | 108.1° | 109.5° |
| C2G | C1G | H1G2 | 107.2° | 109.5° |
| C1G | C2G | H2G | 111.4° | 109.4° |
| O2G | C2G | C3G | 108.7° | 109.5° |
| O2G | C2G | H2G | 112.3° | 109.5° |
| C2G | O2G | H2 | 109.5° | 114.0° |
| C2G | C3G | O3G | 109.2° | 109.5° |
| C3G | C2G | H2G | 108.7° | 109.5° |
| C2G | C3G | H3G1 | 109.5° | 109.5° |
| C2G | C3G | H3G2 | 109.6° | 109.5° |
| OXT | P | O3G | 81.1° | 109.4° |
| OXT | P | O1P | 115.9° | 109.5° |
| OXT | P | O2P | 110.2° | 109.4° |
| P | OXT | HXT | 90.0° | 114.0° |
| C3G | O3G | P | 121.1° | 123.1° |
| O3G | C3G | H3G1 | 109.5° | 109.4° |
| O3G | C3G | H3G2 | 109.6° | 109.4° |
| O3G | P | O1P | 109.8° | 109.5° |
| O3G | P | O2P | 108.2° | 109.5° |
| O1P | P | O2P | 123.3° | 109.5° |
| P | O1P | H1P | 109.5° | 114.1° |
| H5M1 | C5M | H5M2 | 109.5° | 109.5° |
| H5M1 | C5M | H5M3 | 109.4° | 109.5° |
| H5M2 | C5M | H5M3 | 109.5° | 109.4° |
| H1G1 | C1G | H1G2 | 112.7° | 109.5° |
| H3G1 | C3G | H3G2 | 109.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | N3 | C5 | 177.5° | 179.6° |
| O4 | C4 | N3 | C2 | 179.4° | 180.0° |
| O4 | C4 | C5 | C5M | 2.3° | 0.1° |
| O4 | C4 | C5 | C6 | 178.6° | 180.0° |
| O4 | C4 | N3 | H3 | 0.6° | 0.1° |
| C4 | N3 | C2 | H3 | 180.0° | 179.9° |
| C4 | N3 | C2 | O2 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 1.7° | 0.1° |
| N3 | C4 | C5 | C5M | 179.7° | 179.7° |
| N3 | C4 | C5 | C6 | 1.1° | 0.3° |
| C5 | C4 | N3 | C2 | 1.9° | 0.4° |
| C4 | C5 | C5M | C6 | 179.1° | 180.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.0° |
| C5 | C4 | N3 | H3 | 178.1° | 179.7° |
| C4 | C5 | C5M | H5M1 | 97.9° | 0.0° |
| C4 | C5 | C5M | H5M2 | 22.1° | 120.0° |
| C4 | C5 | C5M | H5M3 | 142.1° | 120.1° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| N3 | C2 | O2 | N1 | 178.3° | 179.9° |
| N3 | C2 | N1 | C6 | 0.8° | 0.2° |
| N3 | C2 | N1 | C1G | 179.4° | 180.0° |
| O2 | C2 | N1 | C6 | 179.1° | 179.7° |
| O2 | C2 | N1 | C1G | 2.2° | 0.1° |
| O2 | C2 | N3 | H3 | 0.0° | 0.1° |
| C2 | N1 | C6 | C5 | 0.1° | 0.2° |
| C2 | N1 | C6 | C1G | 178.7° | 179.8° |
| C2 | N1 | C1G | C2G | 89.1° | 90.0° |
| N1 | C2 | N3 | H3 | 178.3° | 180.0° |
| C2 | N1 | C6 | H6 | 179.9° | 179.8° |
| C2 | N1 | C1G | H1G1 | 30.9° | 150.0° |
| C2 | N1 | C1G | H1G2 | 152.7° | 29.9° |
| C5M | C5 | C6 | N1 | 179.4° | 180.0° |
| C5 | C5M | H5M1 | H5M2 | 120.0° | 120.0° |
| C5 | C5M | H5M1 | H5M3 | 120.0° | 120.0° |
| C5 | C5M | H5M2 | H5M3 | 120.0° | 119.9° |
| C5M | C5 | C6 | H6 | 0.6° | 0.0° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C1G | 178.8° | 180.0° |
| C6 | C5 | C5M | H5M1 | 81.2° | 180.0° |
| C6 | C5 | C5M | H5M2 | 158.8° | 59.9° |
| C6 | C5 | C5M | H5M3 | 38.7° | 60.0° |
| C6 | N1 | C1G | C2G | 92.2° | 89.7° |
| C6 | N1 | C1G | H1G1 | 147.8° | 30.3° |
| C6 | N1 | C1G | H1G2 | 26.0° | 150.3° |
| N1 | C1G | C2G | H1G1 | 120.0° | 120.0° |
| N1 | C1G | C2G | H1G2 | 118.2° | 120.0° |
| N1 | C1G | C2G | O2G | 72.8° | 60.0° |
| N1 | C1G | C2G | C3G | 170.0° | 180.0° |
| C1G | N1 | C6 | H6 | 1.2° | 0.0° |
| N1 | C1G | H1G1 | H1G2 | 118.3° | 120.0° |
| N1 | C1G | C2G | H2G | 49.6° | 60.0° |
| C1G | C2G | O2G | C3G | 117.9° | 120.0° |
| C1G | C2G | O2G | H2G | 121.8° | 120.0° |
| C1G | C2G | C3G | H2G | 122.0° | 120.0° |
| C1G | C2G | C3G | O3G | 40.9° | 175.0° |
| C2G | C1G | H1G1 | H1G2 | 118.3° | 120.0° |
| C1G | C2G | C3G | H3G1 | 160.9° | 55.1° |
| C1G | C2G | C3G | H3G2 | 79.2° | 65.0° |
| C1G | C2G | O2G | H2 | 20.4° | 60.0° |
| O2G | C2G | C3G | H2G | 122.6° | 120.0° |
| O2G | C2G | C3G | O3G | 74.5° | 65.0° |
| O2G | C2G | C1G | H1G1 | 167.2° | 180.0° |
| O2G | C2G | C1G | H1G2 | 45.4° | 60.0° |
| O2G | C2G | C3G | H3G1 | 45.4° | 175.0° |
| O2G | C2G | C3G | H3G2 | 165.4° | 55.0° |
| C2G | C3G | O3G | H3G1 | 120.0° | 120.0° |
| C2G | C3G | O3G | H3G2 | 120.1° | 120.1° |
| C2G | C3G | O3G | P | 161.8° | 180.0° |
| C3G | C2G | C1G | H1G1 | 50.0° | 60.0° |
| C3G | C2G | C1G | H1G2 | 71.7° | 60.0° |
| C2G | C3G | H3G1 | H3G2 | 120.1° | 120.1° |
| C3G | C2G | O2G | H2 | 97.5° | 60.0° |
| OXT | P | O3G | C3G | 134.7° | 65.0° |
| OXT | P | O3G | O1P | 114.4° | 120.0° |
| OXT | P | O3G | O2P | 108.5° | 119.9° |
| OXT | P | O1P | O2P | 141.1° | 120.0° |
| OXT | P | O1P | H1P | 16.3° | 60.0° |
| C3G | O3G | P | O1P | 110.9° | 175.0° |
| C3G | O3G | P | O2P | 26.2° | 54.9° |
| O3G | C3G | C2G | H2G | 162.9° | 55.0° |
| O3G | C3G | H3G1 | H3G2 | 120.1° | 119.9° |
| O3G | P | O1P | O2P | 129.4° | 120.0° |
| P | O3G | C3G | H3G1 | 41.8° | 60.0° |
| P | O3G | C3G | H3G2 | 78.1° | 60.0° |
| O3G | P | O1P | H1P | 105.9° | 180.0° |
| O3G | P | OXT | HXT | 90.0° | 60.1° |
| O1P | P | OXT | HXT | 90.0° | 59.9° |
| O2P | P | O1P | H1P | 124.8° | 60.0° |
| O2P | P | OXT | HXT | 90.0° | 180.0° |
| H5M1 | C5M | H5M2 | H5M3 | 120.0° | 120.0° |
| H1G1 | C1G | C2G | H2G | 70.4° | 60.0° |
| H1G2 | C1G | C2G | H2G | 167.8° | 180.0° |
| H2G | C2G | C3G | H3G1 | 77.1° | 64.9° |
| H2G | C2G | C3G | H3G2 | 42.8° | 175.0° |
| H2G | C2G | O2G | H2 | 142.2° | 180.0° |
