CH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE | SD | sing | 1.81Å | 1.80Å | |
| SD | CG1 | sing | 1.81Å | 1.80Å | |
| CG1 | CB1 | sing | 1.53Å | 1.52Å | |
| OH | CZ | sing | 1.36Å | 1.25Å | |
| CB1 | CA1 | sing | 1.53Å | 1.54Å | |
| OXT | C3 | sing | 1.34Å | 1.31Å | |
| CE1 | CZ | doub | 1.39Å | 1.47Å | Aromatic |
| CE1 | CD1 | sing | 1.37Å | 1.36Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.45Å | Aromatic |
| CD1 | CG2 | doub | 1.40Å | 1.43Å | Aromatic |
| CA1 | C1 | sing | 1.51Å | 1.49Å | |
| CA1 | N1 | sing | 1.47Å | 1.58Å | |
| CE2 | CD2 | doub | 1.37Å | 1.36Å | Aromatic |
| N2 | C1 | doub | 1.30Å | 1.33Å | |
| N2 | CA2 | sing | 1.37Å | 1.40Å | |
| C1 | N3 | sing | 1.37Å | 1.43Å | |
| CG2 | CD2 | sing | 1.40Å | 1.43Å | Aromatic |
| CG2 | CB2 | sing | 1.46Å | 1.39Å | |
| C3 | O3 | doub | 1.21Å | 1.22Å | |
| C3 | CA3 | sing | 1.51Å | 1.51Å | |
| CA2 | CB2 | doub | 1.38Å | 1.37Å | |
| CA2 | C2 | sing | 1.47Å | 1.49Å | |
| N3 | C2 | sing | 1.35Å | 1.43Å | |
| N3 | CA3 | sing | 1.46Å | 1.41Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CE | HE1A | sing | 1.09Å | 1.10Å | |
| CE | HE2A | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CB2 | HB2 | sing | 1.08Å | 1.08Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE | SD | CG1 | 99.3° | 103.0° |
| SD | CE | HE1A | 109.5° | 109.5° |
| SD | CE | HE2A | 109.5° | 109.5° |
| SD | CE | HE3 | 109.5° | 109.4° |
| SD | CG1 | CB1 | 112.4° | 109.5° |
| SD | CG1 | HG11 | 108.5° | 109.5° |
| SD | CG1 | HG12 | 107.9° | 109.5° |
| CG1 | CB1 | CA1 | 107.8° | 109.5° |
| CB1 | CG1 | HG11 | 108.5° | 109.5° |
| CB1 | CG1 | HG12 | 107.8° | 109.4° |
| CG1 | CB1 | HB11 | 110.0° | 109.5° |
| CG1 | CB1 | HB12 | 110.4° | 109.4° |
| OH | CZ | CE1 | 121.4° | 119.9° |
| OH | CZ | CE2 | 123.4° | 119.8° |
| CZ | OH | HOH | 109.5° | 114.0° |
| CB1 | CA1 | C1 | 128.4° | 109.5° |
| CB1 | CA1 | N1 | 99.1° | 109.5° |
| CA1 | CB1 | HB11 | 110.0° | 109.5° |
| CA1 | CB1 | HB12 | 110.4° | 109.5° |
| CB1 | CA1 | HA1 | 104.8° | 109.5° |
| OXT | C3 | O3 | 122.5° | 120.0° |
| OXT | C3 | CA3 | 117.2° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| CZ | CE1 | CD1 | 121.7° | 120.1° |
| CE1 | CZ | CE2 | 115.2° | 120.3° |
| CZ | CE1 | HE1 | 119.2° | 119.9° |
| CE1 | CD1 | CG2 | 121.9° | 119.9° |
| CD1 | CE1 | HE1 | 119.2° | 119.9° |
| CE1 | CD1 | HD1 | 119.0° | 120.1° |
| CZ | CE2 | CD2 | 122.2° | 120.1° |
| CZ | CE2 | HE2 | 118.9° | 120.0° |
| CD1 | CG2 | CD2 | 117.0° | 119.7° |
| CD1 | CG2 | CB2 | 117.8° | 120.1° |
| CG2 | CD1 | HD1 | 119.0° | 120.1° |
| C1 | CA1 | N1 | 110.5° | 109.5° |
| CA1 | C1 | N2 | 124.5° | 124.3° |
| CA1 | C1 | N3 | 122.2° | 124.4° |
| C1 | CA1 | HA1 | 91.9° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | HA1 | 124.8° | 109.4° |
| CE2 | CD2 | CG2 | 121.9° | 119.9° |
| CE2 | CD2 | HD2 | 119.1° | 120.1° |
| CD2 | CE2 | HE2 | 118.9° | 119.9° |
| C1 | N2 | CA2 | 107.1° | 109.3° |
| N2 | C1 | N3 | 113.2° | 111.3° |
| N2 | CA2 | CB2 | 128.5° | 127.1° |
| N2 | CA2 | C2 | 109.2° | 105.8° |
| C1 | N3 | C2 | 106.1° | 108.4° |
| C1 | N3 | CA3 | 124.7° | 125.8° |
| CD2 | CG2 | CB2 | 125.1° | 120.2° |
| CG2 | CD2 | HD2 | 119.0° | 120.0° |
| CG2 | CB2 | CA2 | 129.3° | 120.0° |
| CG2 | CB2 | HB2 | 115.4° | 120.0° |
| O3 | C3 | CA3 | 120.2° | 120.0° |
| C3 | CA3 | N3 | 118.3° | 109.5° |
| C3 | CA3 | HA31 | 106.6° | 109.5° |
| C3 | CA3 | HA32 | 104.6° | 109.4° |
| CB2 | CA2 | C2 | 122.2° | 127.1° |
| CA2 | CB2 | HB2 | 115.4° | 120.0° |
| CA2 | C2 | N3 | 104.2° | 105.2° |
| CA2 | C2 | O2 | 130.7° | 127.3° |
| C2 | N3 | CA3 | 127.7° | 125.8° |
| N3 | C2 | O2 | 125.0° | 127.4° |
| N3 | CA3 | HA31 | 106.6° | 109.5° |
| N3 | CA3 | HA32 | 104.6° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| HE1A | CE | HE2A | 109.5° | 109.5° |
| HE1A | CE | HE3 | 109.5° | 109.5° |
| HE2A | CE | HE3 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 111.8° | 109.5° |
| HB11 | CB1 | HB12 | 108.2° | 109.5° |
| HA31 | CA3 | HA32 | 116.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE | SD | CG1 | CB1 | 173.2° | 180.0° |
| SD | CE | HE1A | HE2A | 120.0° | 120.0° |
| SD | CE | HE1A | HE3 | 120.0° | 120.0° |
| SD | CE | HE2A | HE3 | 120.0° | 120.0° |
| CE | SD | CG1 | HG11 | 53.2° | 60.0° |
| CE | SD | CG1 | HG12 | 68.1° | 60.0° |
| SD | CG1 | CB1 | HG11 | 120.0° | 120.0° |
| SD | CG1 | CB1 | HG12 | 118.8° | 120.0° |
| SD | CG1 | CB1 | CA1 | 150.9° | 180.0° |
| CG1 | SD | CE | HE1A | 25.0° | 180.0° |
| CG1 | SD | CE | HE2A | 145.0° | 60.0° |
| CG1 | SD | CE | HE3 | 95.0° | 60.0° |
| SD | CG1 | HG11 | HG12 | 118.8° | 120.0° |
| SD | CG1 | CB1 | HB11 | 30.9° | 60.0° |
| SD | CG1 | CB1 | HB12 | 88.5° | 60.0° |
| CG1 | CB1 | CA1 | HB11 | 120.0° | 120.0° |
| CG1 | CB1 | CA1 | HB12 | 120.7° | 120.0° |
| CG1 | CB1 | CA1 | C1 | 156.3° | 175.0° |
| CG1 | CB1 | CA1 | N1 | 78.3° | 65.0° |
| CB1 | CG1 | HG11 | HG12 | 118.8° | 120.0° |
| CG1 | CB1 | HB11 | HB12 | 120.7° | 120.0° |
| CG1 | CB1 | CA1 | HA1 | 51.6° | 55.0° |
| OH | CZ | CE1 | CE2 | 178.5° | 179.9° |
| OH | CZ | CE1 | CD1 | 177.6° | 180.0° |
| OH | CZ | CE2 | CD2 | 177.1° | 180.0° |
| OH | CZ | CE2 | HE2 | 2.9° | 0.1° |
| OH | CZ | CE1 | HE1 | 2.4° | 0.1° |
| CB1 | CA1 | C1 | N1 | 120.8° | 120.0° |
| CB1 | CA1 | C1 | HA1 | 110.7° | 120.1° |
| CB1 | CA1 | N1 | HA1 | 115.3° | 120.0° |
| CB1 | CA1 | C1 | N2 | 4.5° | 85.3° |
| CB1 | CA1 | C1 | N3 | 172.7° | 95.0° |
| CB1 | CA1 | N1 | H | 30.6° | 176.1° |
| CB1 | CA1 | N1 | H2 | 150.6° | 60.0° |
| CA1 | CB1 | CG1 | HG11 | 89.1° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 32.1° | 60.0° |
| CA1 | CB1 | HB11 | HB12 | 120.7° | 120.1° |
| OXT | C3 | O3 | CA3 | 177.1° | 180.0° |
| OXT | C3 | CA3 | N3 | 31.8° | 180.0° |
| OXT | C3 | CA3 | HA31 | 88.2° | 60.0° |
| OXT | C3 | CA3 | HA32 | 147.6° | 60.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | CG2 | 0.8° | 0.3° |
| CE1 | CZ | CE2 | CD2 | 1.4° | 0.1° |
| CE1 | CZ | OH | HOH | 70.9° | 89.9° |
| CE1 | CZ | CE2 | HE2 | 178.6° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 179.2° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.9° | 0.1° |
| CE1 | CD1 | CG2 | HD1 | 180.0° | 179.8° |
| CE1 | CD1 | CG2 | CD2 | 2.0° | 0.5° |
| CE1 | CD1 | CG2 | CB2 | 179.4° | 180.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | CG2 | 0.2° | 0.3° |
| CE2 | CZ | OH | HOH | 110.8° | 90.1° |
| CZ | CE2 | CD2 | HD2 | 179.8° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.1° | 180.0° |
| CD1 | CG2 | CD2 | CE2 | 1.6° | 0.5° |
| CD1 | CG2 | CD2 | CB2 | 177.1° | 179.5° |
| CD1 | CG2 | CB2 | CA2 | 0.8° | 173.9° |
| CD1 | CG2 | CD2 | HD2 | 178.4° | 179.8° |
| CG2 | CD1 | CE1 | HE1 | 179.2° | 179.8° |
| CD1 | CG2 | CB2 | HB2 | 179.2° | 6.1° |
| C1 | CA1 | N1 | HA1 | 107.6° | 120.0° |
| CA1 | C1 | N2 | N3 | 177.5° | 179.7° |
| CA1 | C1 | N2 | CA2 | 177.6° | 180.0° |
| CA1 | C1 | N3 | C2 | 178.2° | 179.8° |
| CA1 | C1 | N3 | CA3 | 11.7° | 0.0° |
| C1 | CA1 | N1 | H | 167.6° | 63.9° |
| C1 | CA1 | N1 | H2 | 72.3° | 60.0° |
| C1 | CA1 | CB1 | HB11 | 36.3° | 55.0° |
| C1 | CA1 | CB1 | HB12 | 83.1° | 65.0° |
| N1 | CA1 | C1 | N2 | 116.3° | 34.6° |
| N1 | CA1 | C1 | N3 | 66.5° | 145.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | HB11 | 161.7° | 175.0° |
| N1 | CA1 | CB1 | HB12 | 42.4° | 55.0° |
| CE2 | CD2 | CG2 | HD2 | 180.0° | 179.7° |
| CE2 | CD2 | CG2 | CB2 | 178.7° | 180.0° |
| C1 | N2 | CA2 | CB2 | 178.6° | 179.9° |
| C1 | N2 | CA2 | C2 | 3.5° | 0.0° |
| N2 | C1 | N3 | C2 | 4.3° | 0.5° |
| N2 | C1 | N3 | CA3 | 170.8° | 179.7° |
| N2 | C1 | CA1 | HA1 | 115.2° | 154.6° |
| CA2 | N2 | C1 | N3 | 4.9° | 0.3° |
| N2 | CA2 | CB2 | CG2 | 1.6° | 5.1° |
| N2 | CA2 | CB2 | C2 | 177.7° | 180.0° |
| N2 | CA2 | C2 | N3 | 0.9° | 0.3° |
| N2 | CA2 | C2 | O2 | 176.2° | 180.0° |
| N2 | CA2 | CB2 | HB2 | 178.4° | 175.0° |
| C1 | N3 | CA3 | C3 | 117.3° | 90.0° |
| C1 | N3 | C2 | CA2 | 1.8° | 0.4° |
| C1 | N3 | C2 | CA3 | 166.0° | 179.8° |
| C1 | N3 | C2 | O2 | 179.1° | 179.8° |
| N3 | C1 | CA1 | HA1 | 62.0° | 25.0° |
| C1 | N3 | CA3 | HA31 | 2.7° | 150.0° |
| C1 | N3 | CA3 | HA32 | 126.9° | 30.0° |
| CD2 | CG2 | CB2 | CA2 | 177.9° | 6.6° |
| CG2 | CD2 | CE2 | HE2 | 179.8° | 179.8° |
| CD2 | CG2 | CD1 | HD1 | 178.0° | 179.7° |
| CD2 | CG2 | CB2 | HB2 | 2.1° | 173.5° |
| CG2 | CB2 | CA2 | HB2 | 180.0° | 180.0° |
| CG2 | CB2 | CA2 | C2 | 179.2° | 174.9° |
| CB2 | CG2 | CD2 | HD2 | 1.3° | 0.3° |
| CB2 | CG2 | CD1 | HD1 | 0.6° | 0.2° |
| O3 | C3 | CA3 | N3 | 151.0° | 0.0° |
| O3 | C3 | CA3 | HA31 | 89.0° | 120.0° |
| O3 | C3 | CA3 | HA32 | 35.2° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| C3 | CA3 | N3 | C2 | 79.2° | 89.8° |
| C3 | CA3 | N3 | HA31 | 120.0° | 120.0° |
| C3 | CA3 | N3 | HA32 | 115.8° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 116.4° | 120.0° |
| CA3 | C3 | OXT | HXT | 177.2° | 180.0° |
| CB2 | CA2 | C2 | N3 | 179.0° | 179.8° |
| CB2 | CA2 | C2 | O2 | 1.9° | 0.0° |
| CA2 | C2 | N3 | O2 | 177.3° | 179.7° |
| CA2 | C2 | N3 | CA3 | 167.8° | 179.7° |
| C2 | CA2 | CB2 | HB2 | 0.8° | 5.0° |
| C2 | N3 | CA3 | HA31 | 160.8° | 30.2° |
| C2 | N3 | CA3 | HA32 | 36.6° | 150.2° |
| CA3 | N3 | C2 | O2 | 14.9° | 0.0° |
| N3 | CA3 | HA31 | HA32 | 116.3° | 120.0° |
| H | N1 | CA1 | HA1 | 84.7° | 56.0° |
| H2 | N1 | CA1 | HA1 | 35.3° | 180.0° |
| HE1A | CE | HE2A | HE3 | 120.0° | 120.0° |
| HG11 | CG1 | CB1 | HB11 | 150.8° | 180.0° |
| HG11 | CG1 | CB1 | HB12 | 31.5° | 60.0° |
| HG12 | CG1 | CB1 | HB11 | 87.9° | 60.0° |
| HG12 | CG1 | CB1 | HB12 | 152.8° | 180.0° |
| HB11 | CB1 | CA1 | HA1 | 68.4° | 65.0° |
| HB12 | CB1 | CA1 | HA1 | 172.2° | 174.9° |
| HD2 | CD2 | CE2 | HE2 | 0.2° | 0.1° |
| HE1 | CE1 | CD1 | HD1 | 0.8° | 0.0° |
