ZT9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O4 | sing | 1.43Å | 1.58Å | |
| O4 | C4 | sing | 1.36Å | 1.38Å | |
| C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | S | doub | 1.60Å | 1.65Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.35Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | O4 | C4 | 109.4° | 117.0° |
| O4 | C7 | H73 | 109.5° | 109.5° |
| O4 | C7 | H71 | 109.5° | 109.5° |
| O4 | C7 | H72 | 109.5° | 109.4° |
| O4 | C4 | C5 | 121.0° | 120.1° |
| O4 | C4 | C3 | 120.4° | 120.0° |
| C5 | C4 | C3 | 118.6° | 119.9° |
| C4 | C5 | C6 | 121.7° | 120.0° |
| C4 | C5 | H6 | 119.2° | 120.1° |
| C4 | C3 | C2 | 121.2° | 120.0° |
| C4 | C3 | H5 | 119.4° | 120.0° |
| C5 | C6 | C1 | 118.8° | 120.0° |
| C6 | C5 | H6 | 119.2° | 120.0° |
| C5 | C6 | H61 | 120.6° | 120.0° |
| C3 | C2 | C1 | 119.6° | 120.0° |
| C3 | C2 | H21 | 120.2° | 120.0° |
| C2 | C3 | H5 | 119.4° | 120.0° |
| C6 | C1 | C2 | 119.9° | 120.1° |
| C6 | C1 | CA | 121.3° | 119.9° |
| C1 | C6 | H61 | 120.6° | 120.0° |
| C2 | C1 | CA | 118.8° | 120.0° |
| C1 | C2 | H21 | 120.2° | 120.0° |
| C1 | CA | N | 113.3° | 109.5° |
| C1 | CA | C | 108.6° | 109.5° |
| C1 | CA | HA | 106.9° | 109.4° |
| N | CA | C | 112.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 107.8° | 109.4° |
| CA | C | S | 120.8° | 120.0° |
| C | CA | HA | 107.0° | 109.5° |
| CA | C | OXT | 113.7° | 120.0° |
| S | C | OXT | 125.4° | 120.0° |
| H | N | H2 | 109.5° | 111.1° |
| H73 | C7 | H71 | 109.4° | 109.5° |
| H73 | C7 | H72 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | O4 | C4 | C5 | 80.6° | 180.0° |
| C7 | O4 | C4 | C3 | 99.2° | 0.4° |
| O4 | C7 | H73 | H71 | 120.0° | 120.1° |
| O4 | C7 | H73 | H72 | 120.0° | 119.9° |
| O4 | C7 | H71 | H72 | 120.0° | 120.0° |
| O4 | C4 | C5 | C3 | 179.8° | 179.7° |
| O4 | C4 | C5 | C6 | 175.9° | 179.9° |
| O4 | C4 | C3 | C2 | 179.9° | 179.7° |
| O4 | C4 | C3 | H5 | 0.1° | 0.3° |
| O4 | C4 | C5 | H6 | 4.1° | 0.3° |
| C4 | O4 | C7 | H73 | 180.0° | 60.1° |
| C4 | O4 | C7 | H71 | 60.0° | 60.0° |
| C4 | O4 | C7 | H72 | 60.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C6 | C1 | 4.8° | 0.5° |
| C5 | C4 | C3 | H5 | 179.7° | 180.0° |
| C4 | C5 | C6 | H61 | 175.2° | 180.0° |
| C3 | C4 | C5 | C6 | 3.9° | 0.3° |
| C4 | C3 | C2 | H5 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 3.4° | 0.0° |
| C4 | C3 | C2 | H21 | 176.6° | 180.0° |
| C3 | C4 | C5 | H6 | 176.1° | 179.9° |
| C5 | C6 | C1 | H61 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 1.6° | 0.5° |
| C5 | C6 | C1 | CA | 178.5° | 179.8° |
| C3 | C2 | C1 | C6 | 2.4° | 0.3° |
| C3 | C2 | C1 | H21 | 180.0° | 179.9° |
| C3 | C2 | C1 | CA | 177.5° | 180.0° |
| C6 | C1 | C2 | CA | 179.9° | 179.7° |
| C6 | C1 | CA | N | 10.3° | 40.3° |
| C6 | C1 | CA | C | 136.6° | 79.7° |
| C6 | C1 | CA | HA | 108.2° | 160.2° |
| C6 | C1 | C2 | H21 | 177.6° | 179.8° |
| C1 | C6 | C5 | H6 | 175.2° | 179.7° |
| C2 | C1 | CA | N | 169.5° | 140.0° |
| C2 | C1 | CA | C | 43.3° | 100.0° |
| C2 | C1 | CA | HA | 71.9° | 20.1° |
| C1 | C2 | C3 | H5 | 176.6° | 180.0° |
| C2 | C1 | C6 | H61 | 178.4° | 180.0° |
| C1 | CA | N | C | 124.0° | 120.0° |
| C1 | CA | N | HA | 118.1° | 119.9° |
| C1 | CA | C | HA | 115.1° | 120.0° |
| C1 | CA | C | S | 74.5° | 110.0° |
| C1 | CA | N | H | 180.0° | 60.0° |
| C1 | CA | N | H2 | 60.0° | 176.0° |
| CA | C1 | C2 | H21 | 2.5° | 0.1° |
| CA | C1 | C6 | H61 | 1.4° | 0.3° |
| C1 | CA | C | OXT | 101.0° | 70.0° |
| N | CA | C | HA | 118.4° | 120.0° |
| N | CA | C | S | 52.0° | 10.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 132.4° | 170.0° |
| CA | C | S | OXT | 175.0° | 180.0° |
| C | CA | N | H | 56.0° | 60.1° |
| C | CA | N | H2 | 176.1° | 64.0° |
| CA | C | OXT | HXT | 175.3° | 180.0° |
| S | C | CA | HA | 170.4° | 130.0° |
| S | C | OXT | HXT | 0.0° | 0.0° |
| H | N | CA | HA | 61.9° | 179.9° |
| H2 | N | CA | HA | 58.1° | 56.1° |
| HA | CA | C | OXT | 14.1° | 50.0° |
| H21 | C2 | C3 | H5 | 3.4° | 0.0° |
| H6 | C5 | C6 | H61 | 4.8° | 0.2° |
| H73 | C7 | H71 | H72 | 120.0° | 120.0° |
