NLH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | OC | sing | 1.34Å | 1.39Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | CW | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.55Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.51Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CE | HEB | sing | 1.09Å | 1.10Å | |
| OA | CW | sing | 1.43Å | 1.50Å | |
| CW | OB | sing | 1.43Å | 1.50Å | |
| CW | CZ | sing | 1.53Å | 1.53Å | |
| OA | HOA | sing | 0.97Å | 0.95Å | |
| OB | HOB | sing | 0.97Å | 0.95Å | |
| CZ | CJ | sing | 1.53Å | 1.50Å | |
| CZ | HZ | sing | 1.09Å | 1.10Å | |
| CZ | HZA | sing | 1.09Å | 1.10Å | |
| CJ | CL | sing | 1.53Å | 1.52Å | |
| CJ | C | sing | 1.51Å | 1.51Å | |
| CJ | HJ | sing | 1.09Å | 1.10Å | |
| CL | CX | sing | 1.53Å | 1.54Å | |
| CL | HL | sing | 1.09Å | 1.10Å | |
| CL | HLA | sing | 1.09Å | 1.10Å | |
| CX | CV | sing | 1.53Å | 1.52Å | |
| CX | HX | sing | 1.09Å | 1.10Å | |
| CX | HXA | sing | 1.09Å | 1.10Å | |
| CV | CY | sing | 1.53Å | 1.55Å | |
| CV | HV | sing | 1.09Å | 1.10Å | |
| CV | HVA | sing | 1.09Å | 1.10Å | |
| CY | HY | sing | 1.09Å | 1.10Å | |
| CY | HYA | sing | 1.09Å | 1.10Å | |
| CY | HYB | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| OC | HOC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OC | C | CJ | 118.4° | 120.0° |
| OC | C | O | 114.4° | 120.0° |
| C | OC | HOC | 109.5° | 117.0° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | CB | 106.9° | 109.5° |
| N | CA | CW | 111.4° | 109.5° |
| N | CA | HA | 112.3° | 109.4° |
| HN | N | HNA | 109.4° | 111.0° |
| CB | CA | CW | 115.7° | 109.5° |
| CB | CA | HA | 107.7° | 109.4° |
| CA | CB | CG | 115.7° | 109.5° |
| CA | CB | HB | 107.5° | 109.4° |
| CA | CB | HBA | 106.0° | 109.5° |
| CW | CA | HA | 102.8° | 109.5° |
| CA | CW | OA | 111.6° | 109.5° |
| CA | CW | OB | 111.7° | 109.5° |
| CA | CW | CZ | 114.8° | 109.5° |
| CG | CB | HB | 107.5° | 109.5° |
| CG | CB | HBA | 106.0° | 109.5° |
| CB | CG | CD | 114.1° | 109.5° |
| CB | CG | HG | 108.0° | 109.5° |
| CB | CG | HGA | 106.9° | 109.4° |
| HB | CB | HBA | 114.5° | 109.4° |
| CD | CG | HG | 108.0° | 109.5° |
| CD | CG | HGA | 106.9° | 109.5° |
| CG | CD | CE | 107.7° | 109.4° |
| CG | CD | HD | 110.1° | 109.5° |
| CG | CD | HDA | 110.5° | 109.5° |
| HG | CG | HGA | 113.1° | 109.4° |
| CE | CD | HD | 110.1° | 109.5° |
| CE | CD | HDA | 110.5° | 109.5° |
| CD | CE | HE | 109.5° | 109.5° |
| CD | CE | HEA | 109.5° | 109.4° |
| CD | CE | HEB | 109.5° | 109.5° |
| HD | CD | HDA | 108.1° | 109.5° |
| HE | CE | HEA | 109.5° | 109.4° |
| HE | CE | HEB | 109.4° | 109.5° |
| HEA | CE | HEB | 109.5° | 109.4° |
| OA | CW | OB | 103.2° | 109.5° |
| OA | CW | CZ | 105.2° | 109.5° |
| CW | OA | HOA | 109.5° | 113.9° |
| OB | CW | CZ | 109.4° | 109.4° |
| CW | OB | HOB | 109.5° | 114.0° |
| CW | CZ | CJ | 117.9° | 109.4° |
| CW | CZ | HZ | 106.7° | 109.5° |
| CW | CZ | HZA | 104.8° | 109.4° |
| CJ | CZ | HZ | 106.8° | 109.5° |
| CJ | CZ | HZA | 104.8° | 109.5° |
| CZ | CJ | CL | 109.8° | 109.5° |
| CZ | CJ | C | 108.9° | 109.4° |
| CZ | CJ | HJ | 111.1° | 109.5° |
| HZ | CZ | HZA | 116.3° | 109.5° |
| CL | CJ | C | 113.3° | 109.5° |
| CL | CJ | HJ | 106.4° | 109.5° |
| CJ | CL | CX | 116.4° | 109.5° |
| CJ | CL | HL | 107.2° | 109.5° |
| CJ | CL | HLA | 105.6° | 109.5° |
| C | CJ | HJ | 107.3° | 109.5° |
| CJ | C | O | 126.7° | 120.0° |
| CX | CL | HL | 107.2° | 109.5° |
| CX | CL | HLA | 105.6° | 109.5° |
| CL | CX | CV | 105.7° | 109.4° |
| CL | CX | HX | 110.7° | 109.5° |
| CL | CX | HXA | 111.5° | 109.5° |
| HL | CL | HLA | 115.1° | 109.5° |
| CV | CX | HX | 110.7° | 109.4° |
| CV | CX | HXA | 111.5° | 109.5° |
| CX | CV | CY | 114.4° | 109.4° |
| CX | CV | HV | 107.9° | 109.5° |
| CX | CV | HVA | 106.7° | 109.5° |
| HX | CX | HXA | 106.6° | 109.5° |
| CY | CV | HV | 107.9° | 109.4° |
| CY | CV | HVA | 106.7° | 109.5° |
| CV | CY | HY | 109.5° | 109.4° |
| CV | CY | HYA | 109.5° | 109.5° |
| CV | CY | HYB | 109.5° | 109.5° |
| HV | CV | HVA | 113.4° | 109.5° |
| HY | CY | HYA | 109.4° | 109.5° |
| HY | CY | HYB | 109.4° | 109.4° |
| HYA | CY | HYB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OC | C | CJ | CZ | 144.3° | 146.0° |
| OC | C | CJ | CL | 93.3° | 94.0° |
| OC | C | CJ | O | 171.6° | 180.0° |
| OC | C | CJ | HJ | 24.0° | 26.1° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | CW | 124.8° | 120.0° |
| N | CA | CB | HA | 120.9° | 119.9° |
| N | CA | CW | HA | 120.5° | 120.0° |
| N | CA | CB | CG | 55.2° | 65.0° |
| N | CA | CB | HB | 64.8° | 55.0° |
| N | CA | CB | HBA | 172.4° | 175.0° |
| N | CA | CW | OA | 61.1° | 180.0° |
| N | CA | CW | OB | 176.2° | 60.0° |
| N | CA | CW | CZ | 58.4° | 60.0° |
| HN | N | CA | CB | 157.7° | 60.0° |
| HN | N | CA | CW | 75.0° | 60.0° |
| HN | N | CA | HA | 39.8° | 180.0° |
| HNA | N | CA | CB | 82.3° | 63.9° |
| HNA | N | CA | CW | 45.0° | 176.0° |
| HNA | N | CA | HA | 159.8° | 56.0° |
| CB | CA | CW | HA | 117.1° | 120.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 117.1° | 120.0° |
| CA | CB | HB | HBA | 117.4° | 119.9° |
| CA | CB | CG | CD | 51.2° | 180.0° |
| CA | CB | CG | HG | 68.8° | 60.0° |
| CA | CB | CG | HGA | 169.2° | 60.0° |
| CB | CA | CW | OA | 61.3° | 60.0° |
| CB | CA | CW | OB | 53.8° | 60.0° |
| CB | CA | CW | CZ | 179.2° | 180.0° |
| CW | CA | CB | CG | 180.0° | 175.0° |
| CW | CA | CB | HB | 60.0° | 65.0° |
| CW | CA | CB | HBA | 62.9° | 54.9° |
| CA | CW | OA | OB | 120.2° | 120.0° |
| CA | CW | OA | CZ | 125.1° | 120.0° |
| CA | CW | OB | CZ | 128.3° | 120.0° |
| CA | CW | OA | HOA | 170.4° | 59.3° |
| CA | CW | OB | HOB | 75.6° | 60.0° |
| CA | CW | CZ | CJ | 152.7° | 173.6° |
| CA | CW | CZ | HZ | 87.3° | 66.4° |
| CA | CW | CZ | HZA | 36.6° | 53.6° |
| HA | CA | CB | CG | 65.7° | 54.9° |
| HA | CA | CB | HB | 174.3° | 175.0° |
| HA | CA | CB | HBA | 51.5° | 65.1° |
| HA | CA | CW | OA | 178.4° | 60.0° |
| HA | CA | CW | OB | 63.3° | 180.0° |
| HA | CA | CW | CZ | 62.1° | 60.0° |
| CG | CB | HB | HBA | 117.5° | 120.0° |
| CB | CG | CD | HG | 120.0° | 120.0° |
| CB | CG | CD | HGA | 118.0° | 120.0° |
| CB | CG | HG | HGA | 118.1° | 119.9° |
| CB | CG | CD | CE | 55.6° | 180.0° |
| CB | CG | CD | HD | 64.4° | 60.0° |
| CB | CG | CD | HDA | 176.3° | 60.1° |
| HB | CB | CG | CD | 171.3° | 60.0° |
| HB | CB | CG | HG | 51.3° | 179.9° |
| HB | CB | CG | HGA | 70.8° | 60.0° |
| HBA | CB | CG | CD | 65.9° | 60.0° |
| HBA | CB | CG | HG | 174.1° | 60.1° |
| HBA | CB | CG | HGA | 52.1° | 180.0° |
| CD | CG | HG | HGA | 118.1° | 120.0° |
| CG | CD | CE | HD | 120.0° | 120.0° |
| CG | CD | CE | HDA | 120.7° | 120.0° |
| CG | CD | HD | HDA | 120.7° | 120.0° |
| CG | CD | CE | HE | 52.5° | 60.1° |
| CG | CD | CE | HEA | 67.5° | 180.0° |
| CG | CD | CE | HEB | 172.4° | 60.0° |
| HG | CG | CD | CE | 175.6° | 60.0° |
| HG | CG | CD | HD | 55.6° | 179.9° |
| HG | CG | CD | HDA | 63.7° | 60.0° |
| HGA | CG | CD | CE | 62.4° | 60.0° |
| HGA | CG | CD | HD | 177.6° | 59.9° |
| HGA | CG | CD | HDA | 58.3° | 180.0° |
| CE | CD | HD | HDA | 120.7° | 120.0° |
| CD | CE | HE | HEA | 120.0° | 119.9° |
| CD | CE | HE | HEB | 120.0° | 120.1° |
| CD | CE | HEA | HEB | 120.0° | 120.0° |
| HD | CD | CE | HE | 172.5° | 59.9° |
| HD | CD | CE | HEA | 52.5° | 60.1° |
| HD | CD | CE | HEB | 67.5° | 180.0° |
| HDA | CD | CE | HE | 68.2° | 180.0° |
| HDA | CD | CE | HEA | 171.8° | 60.0° |
| HDA | CD | CE | HEB | 51.7° | 59.9° |
| HE | CE | HEA | HEB | 120.0° | 120.0° |
| OA | CW | OB | CZ | 111.6° | 120.0° |
| OA | CW | OB | HOB | 44.5° | 179.9° |
| OA | CW | CZ | CJ | 84.2° | 53.5° |
| OA | CW | CZ | HZ | 35.8° | 173.5° |
| OA | CW | CZ | HZA | 159.7° | 66.5° |
| OB | CW | OA | HOA | 50.2° | 179.3° |
| OB | CW | CZ | CJ | 26.1° | 66.4° |
| OB | CW | CZ | HZ | 146.1° | 53.5° |
| OB | CW | CZ | HZA | 89.9° | 173.6° |
| CZ | CW | OA | HOA | 64.5° | 60.7° |
| CZ | CW | OB | HOB | 156.1° | 60.0° |
| CW | CZ | CJ | HZ | 120.0° | 120.0° |
| CW | CZ | CJ | HZA | 116.0° | 119.9° |
| CW | CZ | HZ | HZA | 116.5° | 120.0° |
| CW | CZ | CJ | CL | 165.1° | 66.8° |
| CW | CZ | CJ | C | 70.3° | 173.2° |
| CW | CZ | CJ | HJ | 47.6° | 53.2° |
| CJ | CZ | HZ | HZA | 116.6° | 120.1° |
| CZ | CJ | CL | C | 122.0° | 120.0° |
| CZ | CJ | CL | HJ | 120.3° | 120.0° |
| CZ | CJ | C | HJ | 120.3° | 120.0° |
| CZ | CJ | CL | CX | 178.5° | 177.4° |
| CZ | CJ | CL | HL | 61.5° | 57.3° |
| CZ | CJ | CL | HLA | 61.7° | 62.7° |
| CZ | CJ | C | O | 44.2° | 34.0° |
| HZ | CZ | CJ | CL | 45.1° | 53.1° |
| HZ | CZ | CJ | C | 169.7° | 66.8° |
| HZ | CZ | CJ | HJ | 72.4° | 173.2° |
| HZA | CZ | CJ | CL | 78.9° | 173.2° |
| HZA | CZ | CJ | C | 45.7° | 53.2° |
| HZA | CZ | CJ | HJ | 163.7° | 66.7° |
| CL | CJ | C | HJ | 117.2° | 120.0° |
| CJ | CL | CX | HL | 120.0° | 120.0° |
| CJ | CL | CX | HLA | 116.8° | 120.0° |
| CJ | CL | HL | HLA | 117.2° | 120.0° |
| CJ | CL | CX | CV | 99.4° | 180.0° |
| CJ | CL | CX | HX | 20.6° | 60.0° |
| CJ | CL | CX | HXA | 139.2° | 60.1° |
| CL | CJ | C | O | 78.3° | 86.0° |
| C | CJ | CL | CX | 56.5° | 62.7° |
| C | CJ | CL | HL | 176.5° | 177.3° |
| C | CJ | CL | HLA | 60.3° | 57.3° |
| CJ | C | OC | HOC | 172.6° | 180.0° |
| HJ | CJ | CL | CX | 61.2° | 57.3° |
| HJ | CJ | CL | HL | 58.8° | 62.7° |
| HJ | CJ | CL | HLA | 178.0° | 177.3° |
| HJ | CJ | C | O | 164.5° | 153.9° |
| CX | CL | HL | HLA | 117.1° | 120.0° |
| CL | CX | CV | HX | 120.0° | 120.0° |
| CL | CX | CV | HXA | 121.4° | 120.0° |
| CL | CX | HX | HXA | 121.5° | 120.0° |
| CL | CX | CV | CY | 73.1° | 179.9° |
| CL | CX | CV | HV | 46.9° | 60.0° |
| CL | CX | CV | HVA | 169.1° | 60.0° |
| HL | CL | CX | CV | 140.6° | 60.0° |
| HL | CL | CX | HX | 99.4° | 180.0° |
| HL | CL | CX | HXA | 19.2° | 60.0° |
| HLA | CL | CX | CV | 17.4° | 60.0° |
| HLA | CL | CX | HX | 137.4° | 59.9° |
| HLA | CL | CX | HXA | 104.0° | 180.0° |
| CV | CX | HX | HXA | 121.5° | 120.0° |
| CX | CV | CY | HV | 120.0° | 119.9° |
| CX | CV | CY | HVA | 117.8° | 120.1° |
| CX | CV | HV | HVA | 118.0° | 120.1° |
| CX | CV | CY | HY | 173.0° | 60.1° |
| CX | CV | CY | HYA | 53.0° | 60.0° |
| CX | CV | CY | HYB | 67.0° | 180.0° |
| HX | CX | CV | CY | 166.9° | 60.1° |
| HX | CX | CV | HV | 73.1° | 180.0° |
| HX | CX | CV | HVA | 49.1° | 60.0° |
| HXA | CX | CV | CY | 48.3° | 60.0° |
| HXA | CX | CV | HV | 168.4° | 59.9° |
| HXA | CX | CV | HVA | 69.4° | 180.0° |
| CY | CV | HV | HVA | 117.9° | 120.0° |
| CV | CY | HY | HYA | 120.0° | 120.1° |
| CV | CY | HY | HYB | 120.0° | 120.0° |
| CV | CY | HYA | HYB | 120.0° | 120.0° |
| HV | CV | CY | HY | 67.0° | 180.0° |
| HV | CV | CY | HYA | 173.0° | 60.0° |
| HV | CV | CY | HYB | 53.0° | 60.0° |
| HVA | CV | CY | HY | 55.2° | 60.0° |
| HVA | CV | CY | HYA | 64.8° | 179.9° |
| HVA | CV | CY | HYB | 175.2° | 60.0° |
| HY | CY | HYA | HYB | 120.0° | 120.0° |
| O | C | OC | HOC | 0.0° | 0.0° |
