TN6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.63Å | |
| C3 | N | sing | 1.47Å | 1.48Å | |
| N | P | sing | 1.68Å | 1.53Å | |
| N | C1 | sing | 1.47Å | 1.44Å | |
| P | O2 | sing | 1.61Å | 1.54Å | |
| P | OD | doub | 1.48Å | 1.47Å | |
| P | OXT | sing | 1.61Å | 1.68Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C4 | H43C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C2 | H23C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | N | 106.6° | 109.5° |
| C3 | C4 | H41C | 109.5° | 109.5° |
| C3 | C4 | H42C | 109.4° | 109.5° |
| C3 | C4 | H43C | 109.4° | 109.5° |
| C4 | C3 | H31C | 110.4° | 109.4° |
| C4 | C3 | H32C | 111.0° | 109.5° |
| C3 | N | P | 114.1° | 111.0° |
| C3 | N | C1 | 117.1° | 111.0° |
| N | C3 | H31C | 110.4° | 109.5° |
| N | C3 | H32C | 111.1° | 109.5° |
| P | N | C1 | 116.0° | 111.0° |
| N | P | O2 | 100.5° | 109.5° |
| N | P | OD | 113.1° | 109.5° |
| N | P | OXT | 113.5° | 109.5° |
| N | C1 | C2 | 104.9° | 109.5° |
| N | C1 | H11C | 111.0° | 109.5° |
| N | C1 | H12C | 112.0° | 109.5° |
| O2 | P | OD | 115.7° | 109.5° |
| O2 | P | OXT | 99.2° | 109.5° |
| P | O2 | H2 | 109.5° | 114.0° |
| OD | P | OXT | 113.4° | 109.5° |
| P | OXT | HXT | 109.5° | 114.0° |
| C2 | C1 | H11C | 111.0° | 109.5° |
| C2 | C1 | H12C | 112.0° | 109.4° |
| C1 | C2 | H21C | 109.5° | 109.5° |
| C1 | C2 | H22C | 109.4° | 109.5° |
| C1 | C2 | H23C | 109.5° | 109.4° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H41C | C4 | H43C | 109.5° | 109.5° |
| H42C | C4 | H43C | 109.5° | 109.5° |
| H31C | C3 | H32C | 107.3° | 109.5° |
| H11C | C1 | H12C | 106.0° | 109.5° |
| H21C | C2 | H22C | 109.4° | 109.5° |
| H21C | C2 | H23C | 109.4° | 109.5° |
| H22C | C2 | H23C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | N | H31C | 120.0° | 120.0° |
| C4 | C3 | N | H32C | 121.1° | 120.0° |
| C4 | C3 | N | P | 112.0° | 145.0° |
| C4 | C3 | N | C1 | 107.8° | 91.1° |
| C3 | C4 | H41C | H42C | 120.0° | 120.0° |
| C3 | C4 | H41C | H43C | 120.0° | 120.0° |
| C3 | C4 | H42C | H43C | 120.0° | 120.0° |
| C4 | C3 | H31C | H32C | 121.1° | 120.0° |
| C3 | N | P | C1 | 140.6° | 124.0° |
| C3 | N | P | O2 | 17.1° | 64.0° |
| C3 | N | P | OD | 141.0° | 176.1° |
| C3 | N | P | OXT | 87.9° | 56.0° |
| C3 | N | C1 | C2 | 83.8° | 96.0° |
| N | C3 | C4 | H41C | 26.3° | 60.0° |
| N | C3 | C4 | H42C | 93.8° | 180.0° |
| N | C3 | C4 | H43C | 146.2° | 60.0° |
| N | C3 | H31C | H32C | 121.2° | 120.0° |
| C3 | N | C1 | H11C | 156.1° | 144.0° |
| C3 | N | C1 | H12C | 37.9° | 23.9° |
| N | P | O2 | OD | 122.1° | 120.0° |
| N | P | O2 | OXT | 116.2° | 120.0° |
| N | P | OD | OXT | 131.1° | 120.0° |
| P | N | C1 | C2 | 136.7° | 140.0° |
| P | N | C3 | H31C | 8.0° | 25.0° |
| P | N | C3 | H32C | 126.9° | 95.0° |
| P | N | C1 | H11C | 16.7° | 20.0° |
| P | N | C1 | H12C | 101.6° | 100.0° |
| N | P | O2 | H2 | 58.3° | 60.0° |
| N | P | OXT | HXT | 40.6° | 179.9° |
| C1 | N | P | O2 | 157.7° | 60.0° |
| C1 | N | P | OD | 78.3° | 60.0° |
| C1 | N | P | OXT | 52.7° | 180.0° |
| N | C1 | C2 | H11C | 120.0° | 120.0° |
| N | C1 | C2 | H12C | 121.7° | 120.0° |
| C1 | N | C3 | H31C | 132.2° | 149.0° |
| C1 | N | C3 | H32C | 13.3° | 28.9° |
| N | C1 | H11C | H12C | 121.8° | 120.0° |
| N | C1 | C2 | H21C | 86.5° | 60.0° |
| N | C1 | C2 | H22C | 153.5° | 60.0° |
| N | C1 | C2 | H23C | 33.5° | 180.0° |
| O2 | P | OD | OXT | 113.8° | 120.0° |
| O2 | P | OXT | HXT | 65.2° | 59.9° |
| OD | P | O2 | H2 | 179.6° | 180.0° |
| OD | P | OXT | HXT | 171.4° | 60.0° |
| OXT | P | O2 | H2 | 57.9° | 60.0° |
| C2 | C1 | H11C | H12C | 121.8° | 120.0° |
| C1 | C2 | H21C | H22C | 120.0° | 120.0° |
| C1 | C2 | H21C | H23C | 120.0° | 120.0° |
| C1 | C2 | H22C | H23C | 120.0° | 119.9° |
| H41C | C4 | H42C | H43C | 120.0° | 120.0° |
| H41C | C4 | C3 | H31C | 93.7° | 180.0° |
| H41C | C4 | C3 | H32C | 147.4° | 60.0° |
| H42C | C4 | C3 | H31C | 146.2° | 60.0° |
| H42C | C4 | C3 | H32C | 27.4° | 60.0° |
| H43C | C4 | C3 | H31C | 26.2° | 60.0° |
| H43C | C4 | C3 | H32C | 92.7° | 180.0° |
| H11C | C1 | C2 | H21C | 33.5° | 180.0° |
| H11C | C1 | C2 | H22C | 86.5° | 60.0° |
| H11C | C1 | C2 | H23C | 153.5° | 60.0° |
| H12C | C1 | C2 | H21C | 151.7° | 60.0° |
| H12C | C1 | C2 | H22C | 31.8° | 180.0° |
| H12C | C1 | C2 | H23C | 88.3° | 60.1° |
| H21C | C2 | H22C | H23C | 120.0° | 120.0° |
