THC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CN | sing | 1.35Å | 1.33Å | |
| N1 | CA | sing | 1.46Å | 1.46Å | |
| N1 | HN | sing | 0.97Å | 1.02Å | |
| CN | ON | doub | 1.21Å | 1.23Å | |
| CN | CM | sing | 1.51Å | 1.52Å | |
| CM | HM1 | sing | 1.09Å | 1.11Å | |
| CM | HM2 | sing | 1.09Å | 1.11Å | |
| CM | HM3 | sing | 1.09Å | 1.12Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | OG1 | sing | 1.43Å | 1.43Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.12Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å | |
| CG2 | HG21 | sing | 1.09Å | 1.12Å | |
| CG2 | HG22 | sing | 1.09Å | 1.12Å | |
| CG2 | HG23 | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CN | N1 | CA | 121.8° | 120.0° |
| CN | N1 | HN | 114.2° | 120.0° |
| N1 | CN | ON | 123.1° | 120.0° |
| N1 | CN | CM | 116.0° | 120.1° |
| CA | N1 | HN | 123.9° | 120.0° |
| N1 | CA | CB | 111.5° | 109.4° |
| N1 | CA | C | 112.0° | 109.5° |
| N1 | CA | HA | 105.9° | 109.4° |
| ON | CN | CM | 121.0° | 120.0° |
| CN | CM | HM1 | 115.9° | 109.5° |
| CN | CM | HM2 | 109.9° | 109.4° |
| CN | CM | HM3 | 109.8° | 109.5° |
| HM1 | CM | HM2 | 109.9° | 109.5° |
| HM1 | CM | HM3 | 109.8° | 109.5° |
| HM2 | CM | HM3 | 100.3° | 109.4° |
| CB | CA | C | 108.2° | 109.5° |
| CB | CA | HA | 109.8° | 109.5° |
| CA | CB | OG1 | 109.7° | 109.5° |
| CA | CB | CG2 | 111.3° | 109.5° |
| CA | CB | HB | 107.9° | 109.5° |
| C | CA | HA | 109.4° | 109.5° |
| CA | C | O | 121.3° | 120.0° |
| CA | C | OXT | 115.6° | 120.0° |
| OG1 | CB | CG2 | 109.0° | 109.5° |
| OG1 | CB | HB | 110.3° | 109.4° |
| CB | OG1 | HG1 | 109.7° | 106.8° |
| CG2 | CB | HB | 108.6° | 109.5° |
| CB | CG2 | HG21 | 111.3° | 109.5° |
| CB | CG2 | HG22 | 111.5° | 109.5° |
| CB | CG2 | HG23 | 111.5° | 109.5° |
| HG21 | CG2 | HG22 | 111.5° | 109.5° |
| HG21 | CG2 | HG23 | 111.5° | 109.4° |
| HG22 | CG2 | HG23 | 98.9° | 109.5° |
| O | C | OXT | 123.1° | 120.0° |
| C | OXT | HXT | 115.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CN | N1 | CA | HN | 179.9° | 179.8° |
| N1 | CN | ON | CM | 179.7° | 179.8° |
| N1 | CN | CM | HM1 | 180.0° | 179.9° |
| N1 | CN | CM | HM2 | 54.7° | 60.0° |
| N1 | CN | CM | HM3 | 54.8° | 59.9° |
| CN | N1 | CA | CB | 89.0° | 150.1° |
| CN | N1 | CA | C | 149.5° | 89.9° |
| CN | N1 | CA | HA | 30.4° | 30.1° |
| CA | N1 | CN | ON | 0.3° | 0.2° |
| CA | N1 | CN | CM | 180.0° | 180.0° |
| N1 | CA | CB | C | 123.7° | 120.0° |
| N1 | CA | CB | HA | 117.0° | 119.9° |
| N1 | CA | C | HA | 117.1° | 120.0° |
| N1 | CA | CB | OG1 | 62.7° | 60.1° |
| N1 | CA | CB | CG2 | 176.6° | 60.0° |
| N1 | CA | CB | HB | 57.5° | 180.0° |
| N1 | CA | C | O | 44.2° | 150.0° |
| N1 | CA | C | OXT | 133.6° | 30.0° |
| HN | N1 | CN | ON | 179.8° | 180.0° |
| HN | N1 | CN | CM | 0.1° | 0.2° |
| HN | N1 | CA | CB | 90.9° | 30.1° |
| HN | N1 | CA | C | 30.5° | 89.9° |
| HN | N1 | CA | HA | 149.7° | 150.1° |
| ON | CN | CM | HM1 | 0.3° | 0.1° |
| ON | CN | CM | HM2 | 125.0° | 120.1° |
| ON | CN | CM | HM3 | 125.5° | 119.9° |
| CN | CM | HM1 | HM2 | 125.3° | 120.0° |
| CN | CM | HM1 | HM3 | 125.2° | 120.1° |
| CN | CM | HM2 | HM3 | 115.6° | 120.0° |
| HM1 | CM | HM2 | HM3 | 115.6° | 120.0° |
| CB | CA | C | HA | 119.6° | 120.0° |
| CA | CB | OG1 | CG2 | 122.1° | 120.0° |
| CA | CB | OG1 | HB | 118.7° | 120.0° |
| CA | CB | CG2 | HB | 118.7° | 120.0° |
| CA | CB | OG1 | HG1 | 180.0° | 60.0° |
| CA | CB | CG2 | HG21 | 180.0° | 180.0° |
| CA | CB | CG2 | HG22 | 54.8° | 60.0° |
| CA | CB | CG2 | HG23 | 54.8° | 60.1° |
| CB | CA | C | O | 79.1° | 90.0° |
| CB | CA | C | OXT | 103.0° | 90.0° |
| C | CA | CB | OG1 | 173.6° | 60.0° |
| C | CA | CB | CG2 | 52.9° | 180.0° |
| C | CA | CB | HB | 66.2° | 60.0° |
| CA | C | O | OXT | 177.7° | 180.0° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| HA | CA | CB | OG1 | 54.3° | 180.0° |
| HA | CA | CB | CG2 | 66.4° | 60.0° |
| HA | CA | CB | HB | 174.5° | 60.1° |
| HA | CA | C | O | 161.3° | 30.0° |
| HA | CA | C | OXT | 16.6° | 150.0° |
| OG1 | CB | CG2 | HB | 120.1° | 119.9° |
| OG1 | CB | CG2 | HG21 | 58.8° | 60.0° |
| OG1 | CB | CG2 | HG22 | 175.9° | 180.0° |
| OG1 | CB | CG2 | HG23 | 66.4° | 60.0° |
| CG2 | CB | OG1 | HG1 | 57.8° | 60.0° |
| CB | CG2 | HG21 | HG22 | 125.3° | 120.0° |
| CB | CG2 | HG21 | HG23 | 125.3° | 120.0° |
| CB | CG2 | HG22 | HG23 | 117.5° | 120.0° |
| HB | CB | OG1 | HG1 | 61.3° | 180.0° |
| HB | CB | CG2 | HG21 | 61.3° | 60.0° |
| HB | CB | CG2 | HG22 | 63.9° | 60.0° |
| HB | CB | CG2 | HG23 | 173.5° | 179.9° |
| HG21 | CG2 | HG22 | HG23 | 117.4° | 120.0° |
| O | C | OXT | HXT | 2.2° | 0.0° |
