A1H5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CK | sing | 1.53Å | 1.60Å | |
| CK | CI | sing | 1.53Å | 1.57Å | |
| CI | CT | sing | 1.53Å | 1.55Å | |
| CT | CH | sing | 1.53Å | 1.58Å | |
| CH | CF | sing | 1.53Å | 1.56Å | |
| CF | CE | sing | 1.51Å | 1.57Å | |
| CE | CD | doub | 1.31Å | 1.40Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| CD | CG2 | sing | 1.51Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CG2 | CB | sing | 1.53Å | 1.54Å | |
| CB | OG1 | sing | 1.43Å | 1.41Å | |
| C | O1 | sing | 1.34Å | 1.35Å | |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å | |
| CD | HD | sing | 1.08Å | 1.08Å | |
| CE | HE | sing | 1.08Å | 1.08Å | |
| CH | HH2 | sing | 1.09Å | 1.10Å | |
| CH | HH1 | sing | 1.09Å | 1.10Å | |
| CI | HI2 | sing | 1.09Å | 1.10Å | |
| CI | HI1 | sing | 1.09Å | 1.10Å | |
| CK | HK2 | sing | 1.09Å | 1.10Å | |
| CK | HK1 | sing | 1.09Å | 1.10Å | |
| CL | HL2 | sing | 1.09Å | 1.10Å | |
| CL | HL3 | sing | 1.09Å | 1.10Å | |
| CL | HL1 | sing | 1.09Å | 1.10Å | |
| CF | HF2 | sing | 1.09Å | 1.10Å | |
| CF | HF1 | sing | 1.09Å | 1.10Å | |
| CT | HT2 | sing | 1.09Å | 1.10Å | |
| CT | HT1 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CK | CI | 115.5° | 109.4° |
| CL | CK | HK2 | 107.9° | 109.5° |
| CL | CK | HK1 | 108.0° | 109.5° |
| CK | CL | HL2 | 109.5° | 109.5° |
| CK | CL | HL3 | 109.5° | 109.5° |
| CK | CL | HL1 | 109.4° | 109.4° |
| CK | CI | CT | 116.5° | 109.4° |
| CK | CI | HI2 | 107.7° | 109.5° |
| CK | CI | HI1 | 107.7° | 109.4° |
| CI | CK | HK2 | 108.0° | 109.4° |
| CI | CK | HK1 | 108.0° | 109.5° |
| CI | CT | CH | 116.2° | 109.5° |
| CT | CI | HI2 | 107.7° | 109.5° |
| CT | CI | HI1 | 107.7° | 109.5° |
| CI | CT | HT2 | 107.7° | 109.5° |
| CI | CT | HT1 | 107.8° | 109.5° |
| CT | CH | CF | 114.4° | 109.5° |
| CT | CH | HH2 | 108.2° | 109.5° |
| CT | CH | HH1 | 108.2° | 109.5° |
| CH | CT | HT2 | 107.8° | 109.4° |
| CH | CT | HT1 | 107.7° | 109.4° |
| CH | CF | CE | 113.2° | 109.5° |
| CF | CH | HH2 | 108.2° | 109.5° |
| CF | CH | HH1 | 108.2° | 109.5° |
| CH | CF | HF2 | 108.5° | 109.5° |
| CH | CF | HF1 | 108.5° | 109.5° |
| CF | CE | CD | 126.8° | 120.0° |
| CF | CE | HE | 116.6° | 119.9° |
| CE | CF | HF2 | 108.5° | 109.5° |
| CE | CF | HF1 | 108.5° | 109.4° |
| CE | CD | CG2 | 123.6° | 120.0° |
| CE | CD | HD | 118.2° | 120.0° |
| CD | CE | HE | 116.6° | 120.0° |
| O | C | CA | 119.2° | 120.0° |
| O | C | O1 | 123.0° | 120.0° |
| C | CA | CB | 116.7° | 109.4° |
| CA | C | O1 | 117.3° | 120.0° |
| C | CA | HA1 | 107.7° | 109.4° |
| C | CA | HA2 | 107.6° | 109.5° |
| CD | CG2 | CB | 117.6° | 109.5° |
| CD | CG2 | HG22 | 107.4° | 109.5° |
| CD | CG2 | HG21 | 107.4° | 109.5° |
| CG2 | CD | HD | 118.2° | 120.0° |
| CA | CB | CG2 | 109.6° | 109.5° |
| CA | CB | OG1 | 110.7° | 109.4° |
| CB | CA | HA1 | 107.6° | 109.4° |
| CB | CA | HA2 | 107.6° | 109.5° |
| CA | CB | HB | 109.6° | 109.5° |
| CG2 | CB | OG1 | 106.3° | 109.5° |
| CG2 | CB | HB | 109.3° | 109.5° |
| CB | CG2 | HG22 | 107.4° | 109.5° |
| CB | CG2 | HG21 | 107.4° | 109.5° |
| OG1 | CB | HB | 111.1° | 109.5° |
| CB | OG1 | HG1 | 109.5° | 114.0° |
| C | O1 | H1 | 109.5° | 117.0° |
| HA1 | CA | HA2 | 109.5° | 109.5° |
| HG22 | CG2 | HG21 | 109.5° | 109.4° |
| HH2 | CH | HH1 | 109.4° | 109.4° |
| HI2 | CI | HI1 | 109.5° | 109.5° |
| HK2 | CK | HK1 | 109.4° | 109.5° |
| HL2 | CL | HL3 | 109.5° | 109.5° |
| HL2 | CL | HL1 | 109.5° | 109.4° |
| HL3 | CL | HL1 | 109.5° | 109.5° |
| HF2 | CF | HF1 | 109.5° | 109.5° |
| HT2 | CT | HT1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CK | CI | HK2 | 120.9° | 120.0° |
| CL | CK | CI | HK1 | 120.9° | 120.0° |
| CL | CK | CI | CT | 174.6° | 180.0° |
| CL | CK | CI | HI2 | 53.6° | 59.9° |
| CL | CK | CI | HI1 | 64.3° | 60.0° |
| CL | CK | HK2 | HK1 | 117.3° | 120.1° |
| CK | CL | HL2 | HL3 | 120.0° | 120.0° |
| CK | CL | HL2 | HL1 | 120.0° | 119.9° |
| CK | CL | HL3 | HL1 | 120.0° | 119.9° |
| CK | CI | CT | HI2 | 121.0° | 120.0° |
| CK | CI | CT | HI1 | 121.0° | 120.0° |
| CK | CI | CT | CH | 177.6° | 180.0° |
| CK | CI | HI2 | HI1 | 116.8° | 120.0° |
| CI | CK | HK2 | HK1 | 117.3° | 120.0° |
| CI | CK | CL | HL2 | 180.0° | 60.0° |
| CI | CK | CL | HL3 | 60.0° | 60.0° |
| CI | CK | CL | HL1 | 60.0° | 180.0° |
| CK | CI | CT | HT2 | 61.4° | 60.0° |
| CK | CI | CT | HT1 | 56.7° | 60.0° |
| CI | CT | CH | HT2 | 121.0° | 120.0° |
| CI | CT | CH | HT1 | 121.0° | 120.0° |
| CI | CT | CH | CF | 156.0° | 180.0° |
| CI | CT | CH | HH2 | 83.2° | 60.0° |
| CI | CT | CH | HH1 | 35.3° | 59.9° |
| CT | CI | HI2 | HI1 | 116.8° | 120.1° |
| CT | CI | CK | HK2 | 64.5° | 60.0° |
| CT | CI | CK | HK1 | 53.7° | 60.0° |
| CI | CT | HT2 | HT1 | 117.0° | 120.1° |
| CT | CH | CF | HH2 | 120.7° | 120.0° |
| CT | CH | CF | HH1 | 120.8° | 120.0° |
| CT | CH | CF | CE | 170.1° | 180.0° |
| CT | CH | HH2 | HH1 | 117.7° | 120.0° |
| CH | CT | CI | HI2 | 56.6° | 60.0° |
| CH | CT | CI | HI1 | 61.4° | 60.0° |
| CT | CH | CF | HF2 | 49.6° | 60.0° |
| CT | CH | CF | HF1 | 69.4° | 60.0° |
| CH | CT | HT2 | HT1 | 116.9° | 120.0° |
| CH | CF | CE | HF2 | 120.5° | 120.0° |
| CH | CF | CE | HF1 | 120.5° | 120.0° |
| CH | CF | CE | CD | 106.0° | 126.3° |
| CH | CF | CE | HE | 73.9° | 53.7° |
| CF | CH | HH2 | HH1 | 117.7° | 120.0° |
| CH | CF | HF2 | HF1 | 118.3° | 120.0° |
| CF | CH | CT | HT2 | 35.1° | 60.0° |
| CF | CH | CT | HT1 | 83.0° | 60.0° |
| CF | CE | CD | HE | 180.0° | 180.0° |
| CF | CE | CD | CG2 | 6.8° | 7.6° |
| CF | CE | CD | HD | 173.2° | 172.5° |
| CE | CF | CH | HH2 | 69.2° | 59.9° |
| CE | CF | CH | HH1 | 49.3° | 60.0° |
| CE | CF | HF2 | HF1 | 118.3° | 120.0° |
| CE | CD | CG2 | HD | 180.0° | 180.0° |
| CE | CD | CG2 | CB | 160.9° | 127.6° |
| CE | CD | CG2 | HG22 | 39.7° | 7.6° |
| CE | CD | CG2 | HG21 | 77.9° | 112.4° |
| CD | CE | CF | HF2 | 14.5° | 113.7° |
| CD | CE | CF | HF1 | 133.4° | 6.3° |
| O | C | CA | O1 | 172.2° | 180.0° |
| O | C | CA | CB | 57.5° | 0.0° |
| O | C | CA | HA1 | 178.6° | 120.0° |
| O | C | CA | HA2 | 63.5° | 120.0° |
| O | C | O1 | H1 | 0.0° | 0.0° |
| C | CA | CB | HA1 | 121.1° | 119.9° |
| C | CA | CB | HA2 | 121.0° | 120.0° |
| C | CA | CB | CG2 | 62.5° | 175.0° |
| C | CA | CB | OG1 | 179.5° | 65.0° |
| C | CA | HA1 | HA2 | 116.7° | 120.0° |
| C | CA | CB | HB | 57.5° | 54.9° |
| CA | C | O1 | H1 | 171.9° | 180.0° |
| CD | CG2 | CB | CA | 73.0° | 175.0° |
| CD | CG2 | CB | HG22 | 121.2° | 120.0° |
| CD | CG2 | CB | HG21 | 121.2° | 120.0° |
| CD | CG2 | CB | OG1 | 46.8° | 65.0° |
| CD | CG2 | CB | HB | 166.8° | 55.0° |
| CD | CG2 | HG22 | HG21 | 116.3° | 119.9° |
| CG2 | CD | CE | HE | 173.2° | 172.4° |
| CA | CB | CG2 | OG1 | 119.8° | 119.9° |
| CA | CB | CG2 | HB | 120.2° | 120.0° |
| CA | CB | OG1 | HB | 122.1° | 120.0° |
| CB | CA | C | O1 | 130.3° | 180.0° |
| CB | CA | HA1 | HA2 | 116.7° | 120.0° |
| CA | CB | CG2 | HG22 | 48.2° | 55.0° |
| CA | CB | CG2 | HG21 | 165.8° | 64.9° |
| CA | CB | OG1 | HG1 | 180.0° | 60.0° |
| CG2 | CB | OG1 | HB | 118.9° | 120.1° |
| CG2 | CB | CA | HA1 | 58.6° | 55.1° |
| CG2 | CB | CA | HA2 | 176.5° | 65.0° |
| CB | CG2 | HG22 | HG21 | 116.3° | 120.0° |
| CG2 | CB | OG1 | HG1 | 60.9° | 60.0° |
| CB | CG2 | CD | HD | 19.1° | 52.4° |
| OG1 | CB | CA | HA1 | 58.5° | 175.0° |
| OG1 | CB | CA | HA2 | 59.5° | 55.0° |
| OG1 | CB | CG2 | HG22 | 167.9° | 174.9° |
| OG1 | CB | CG2 | HG21 | 74.4° | 55.0° |
| O1 | C | CA | HA1 | 9.3° | 60.1° |
| O1 | C | CA | HA2 | 108.7° | 60.0° |
| HA1 | CA | CB | HB | 178.6° | 65.0° |
| HA2 | CA | CB | HB | 63.5° | 175.0° |
| HB | CB | CG2 | HG22 | 72.0° | 65.0° |
| HB | CB | CG2 | HG21 | 45.7° | 175.0° |
| HB | CB | OG1 | HG1 | 57.9° | 180.0° |
| HG22 | CG2 | CD | HD | 140.3° | 172.4° |
| HG21 | CG2 | CD | HD | 102.1° | 67.7° |
| HD | CD | CE | HE | 6.8° | 7.5° |
| HE | CE | CF | HF2 | 165.5° | 66.3° |
| HE | CE | CF | HF1 | 46.6° | 173.7° |
| HH2 | CH | CF | HF2 | 170.3° | 179.9° |
| HH2 | CH | CF | HF1 | 51.4° | 60.0° |
| HH2 | CH | CT | HT2 | 155.8° | 180.0° |
| HH2 | CH | CT | HT1 | 37.7° | 60.0° |
| HH1 | CH | CF | HF2 | 71.2° | 60.0° |
| HH1 | CH | CF | HF1 | 169.9° | 180.0° |
| HH1 | CH | CT | HT2 | 85.7° | 60.1° |
| HH1 | CH | CT | HT1 | 156.2° | 179.9° |
| HI2 | CI | CK | HK2 | 174.5° | 60.0° |
| HI2 | CI | CK | HK1 | 67.3° | 180.0° |
| HI2 | CI | CT | HT2 | 177.6° | 60.0° |
| HI2 | CI | CT | HT1 | 64.3° | 180.0° |
| HI1 | CI | CK | HK2 | 56.5° | 180.0° |
| HI1 | CI | CK | HK1 | 174.8° | 60.0° |
| HI1 | CI | CT | HT2 | 59.6° | 180.0° |
| HI1 | CI | CT | HT1 | 177.7° | 59.9° |
| HK2 | CK | CL | HL2 | 59.1° | 180.0° |
| HK2 | CK | CL | HL3 | 60.9° | 59.9° |
| HK2 | CK | CL | HL1 | 179.1° | 60.1° |
| HK1 | CK | CL | HL2 | 59.1° | 60.0° |
| HK1 | CK | CL | HL3 | 179.1° | 180.0° |
| HK1 | CK | CL | HL1 | 60.9° | 60.0° |
| HL2 | CL | HL3 | HL1 | 120.0° | 120.0° |
