TI1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SG | CA1 | sing | 1.81Å | 1.86Å | |
| SG | HS | sing | 1.34Å | 0.95Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | C1 | sing | 1.51Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.12Å | |
| CB1 | CG1 | sing | 1.53Å | 1.49Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.12Å | |
| CG1 | CD1 | sing | 1.53Å | 1.51Å | |
| CG1 | HG11 | sing | 1.09Å | 1.12Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CD1 | CE1 | sing | 1.53Å | 1.51Å | |
| CD1 | HD11 | sing | 1.09Å | 1.12Å | |
| CD1 | HD12 | sing | 1.09Å | 1.12Å | |
| CE1 | CF1 | sing | 1.53Å | 1.49Å | |
| CE1 | HE11 | sing | 1.09Å | 1.12Å | |
| CE1 | HE12 | sing | 1.09Å | 1.11Å | |
| CF1 | HF11 | sing | 1.09Å | 1.12Å | |
| CF1 | HF12 | sing | 1.09Å | 1.12Å | |
| CF1 | HF13 | sing | 1.09Å | 1.12Å | |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | CA2 | sing | 1.46Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CA2 | CB2 | sing | 1.53Å | 1.53Å | |
| CA2 | C2 | sing | 1.51Å | 1.53Å | |
| CA2 | HA2 | sing | 1.09Å | 1.11Å | |
| CB2 | CG2 | sing | 1.51Å | 1.50Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.12Å | |
| CG2 | CD3 | doub | 1.38Å | 1.40Å | Aromatic |
| CG2 | CD4 | sing | 1.38Å | 1.39Å | Aromatic |
| CD3 | CE3 | sing | 1.38Å | 1.40Å | Aromatic |
| CD3 | HD3 | sing | 1.08Å | 1.10Å | |
| CD4 | CE4 | doub | 1.38Å | 1.40Å | Aromatic |
| CD4 | HD4 | sing | 1.08Å | 1.10Å | |
| CE3 | CZ2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.10Å | |
| CE4 | CZ2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE4 | HE4 | sing | 1.08Å | 1.10Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.10Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | CA3 | sing | 1.46Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | CB3 | sing | 1.53Å | 1.52Å | |
| CA3 | C3 | sing | 1.51Å | 1.53Å | |
| CA3 | HA3 | sing | 1.09Å | 1.11Å | |
| CB3 | HB31 | sing | 1.09Å | 1.12Å | |
| CB3 | HB32 | sing | 1.09Å | 1.12Å | |
| CB3 | HB33 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | doub | 1.21Å | 1.25Å | |
| C3 | OXT | sing | 1.34Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | SG | HS | 113.2° | 100.0° |
| SG | CA1 | CB1 | 113.3° | 109.5° |
| SG | CA1 | C1 | 96.9° | 109.5° |
| SG | CA1 | HA1 | 114.5° | 109.5° |
| CB1 | CA1 | C1 | 107.6° | 109.5° |
| CB1 | CA1 | HA1 | 105.0° | 109.5° |
| CA1 | CB1 | CG1 | 115.1° | 109.5° |
| CA1 | CB1 | HB11 | 110.1° | 109.5° |
| CA1 | CB1 | HB12 | 110.1° | 109.5° |
| C1 | CA1 | HA1 | 119.6° | 109.4° |
| CA1 | C1 | O1 | 119.5° | 120.0° |
| CA1 | C1 | N2 | 118.2° | 120.1° |
| CG1 | CB1 | HB11 | 110.2° | 109.4° |
| CG1 | CB1 | HB12 | 110.1° | 109.4° |
| CB1 | CG1 | CD1 | 110.2° | 109.5° |
| CB1 | CG1 | HG11 | 112.0° | 109.4° |
| CB1 | CG1 | HG12 | 112.0° | 109.5° |
| HB11 | CB1 | HB12 | 100.1° | 109.5° |
| CD1 | CG1 | HG11 | 111.9° | 109.5° |
| CD1 | CG1 | HG12 | 111.9° | 109.5° |
| CG1 | CD1 | CE1 | 109.9° | 109.5° |
| CG1 | CD1 | HD11 | 112.1° | 109.5° |
| CG1 | CD1 | HD12 | 112.1° | 109.5° |
| HG11 | CG1 | HG12 | 98.5° | 109.4° |
| CE1 | CD1 | HD11 | 112.0° | 109.4° |
| CE1 | CD1 | HD12 | 112.0° | 109.5° |
| CD1 | CE1 | CF1 | 110.8° | 109.5° |
| CD1 | CE1 | HE11 | 111.7° | 109.5° |
| CD1 | CE1 | HE12 | 111.8° | 109.5° |
| HD11 | CD1 | HD12 | 98.3° | 109.4° |
| CF1 | CE1 | HE11 | 111.7° | 109.4° |
| CF1 | CE1 | HE12 | 111.7° | 109.4° |
| CE1 | CF1 | HF11 | 110.8° | 109.5° |
| CE1 | CF1 | HF12 | 111.8° | 109.4° |
| CE1 | CF1 | HF13 | 111.8° | 109.5° |
| HE11 | CE1 | HE12 | 98.7° | 109.5° |
| HF11 | CF1 | HF12 | 111.7° | 109.5° |
| HF11 | CF1 | HF13 | 111.7° | 109.5° |
| HF12 | CF1 | HF13 | 98.7° | 109.4° |
| O1 | C1 | N2 | 122.3° | 119.9° |
| C1 | N2 | CA2 | 119.0° | 120.1° |
| C1 | N2 | HN2 | 116.0° | 119.9° |
| CA2 | N2 | HN2 | 125.1° | 120.0° |
| N2 | CA2 | CB2 | 111.8° | 109.5° |
| N2 | CA2 | C2 | 114.3° | 109.4° |
| N2 | CA2 | HA2 | 104.6° | 109.5° |
| CB2 | CA2 | C2 | 110.0° | 109.5° |
| CB2 | CA2 | HA2 | 109.3° | 109.5° |
| CA2 | CB2 | CG2 | 113.2° | 109.5° |
| CA2 | CB2 | HB21 | 110.9° | 109.5° |
| CA2 | CB2 | HB22 | 110.9° | 109.5° |
| C2 | CA2 | HA2 | 106.5° | 109.5° |
| CA2 | C2 | O2 | 120.5° | 120.0° |
| CA2 | C2 | N3 | 116.5° | 120.1° |
| CG2 | CB2 | HB21 | 110.9° | 109.5° |
| CG2 | CB2 | HB22 | 110.8° | 109.5° |
| CB2 | CG2 | CD3 | 120.2° | 120.0° |
| CB2 | CG2 | CD4 | 120.8° | 120.0° |
| HB21 | CB2 | HB22 | 99.4° | 109.4° |
| CD3 | CG2 | CD4 | 118.8° | 120.0° |
| CG2 | CD3 | CE3 | 120.9° | 120.0° |
| CG2 | CD3 | HD3 | 119.5° | 120.0° |
| CG2 | CD4 | CE4 | 120.7° | 120.0° |
| CG2 | CD4 | HD4 | 119.3° | 120.0° |
| CE3 | CD3 | HD3 | 119.6° | 120.0° |
| CD3 | CE3 | CZ2 | 119.8° | 120.0° |
| CD3 | CE3 | HE3 | 120.4° | 120.0° |
| CE4 | CD4 | HD4 | 120.1° | 120.0° |
| CD4 | CE4 | CZ2 | 119.9° | 120.1° |
| CD4 | CE4 | HE4 | 120.3° | 120.0° |
| CZ2 | CE3 | HE3 | 119.9° | 120.0° |
| CE3 | CZ2 | CE4 | 120.0° | 120.0° |
| CE3 | CZ2 | HZ2 | 119.9° | 120.0° |
| CZ2 | CE4 | HE4 | 119.8° | 119.9° |
| CE4 | CZ2 | HZ2 | 120.1° | 120.0° |
| O2 | C2 | N3 | 123.1° | 120.0° |
| C2 | N3 | CA3 | 122.1° | 120.1° |
| C2 | N3 | HN3 | 114.1° | 119.9° |
| CA3 | N3 | HN3 | 123.8° | 120.0° |
| N3 | CA3 | CB3 | 109.8° | 109.5° |
| N3 | CA3 | C3 | 111.0° | 109.4° |
| N3 | CA3 | HA3 | 108.6° | 109.5° |
| CB3 | CA3 | C3 | 110.8° | 109.5° |
| CB3 | CA3 | HA3 | 108.9° | 109.5° |
| CA3 | CB3 | HB31 | 109.9° | 109.5° |
| CA3 | CB3 | HB32 | 112.1° | 109.5° |
| CA3 | CB3 | HB33 | 112.1° | 109.5° |
| C3 | CA3 | HA3 | 107.6° | 109.4° |
| CA3 | C3 | O3 | 119.0° | 120.0° |
| CA3 | C3 | OXT | 118.4° | 120.0° |
| HB31 | CB3 | HB32 | 112.0° | 109.5° |
| HB31 | CB3 | HB33 | 112.1° | 109.5° |
| HB32 | CB3 | HB33 | 98.3° | 109.5° |
| O3 | C3 | OXT | 122.6° | 120.1° |
| C3 | OXT | HXT | 118.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SG | CA1 | CB1 | C1 | 105.9° | 120.1° |
| SG | CA1 | CB1 | HA1 | 125.7° | 120.0° |
| SG | CA1 | C1 | HA1 | 123.3° | 120.0° |
| SG | CA1 | CB1 | CG1 | 106.4° | 60.0° |
| SG | CA1 | CB1 | HB11 | 18.9° | 179.9° |
| SG | CA1 | CB1 | HB12 | 128.4° | 60.0° |
| SG | CA1 | C1 | O1 | 67.4° | 90.0° |
| SG | CA1 | C1 | N2 | 111.3° | 90.0° |
| HS | SG | CA1 | CB1 | 180.0° | 60.0° |
| HS | SG | CA1 | C1 | 67.5° | 60.1° |
| HS | SG | CA1 | HA1 | 59.6° | 180.0° |
| CB1 | CA1 | C1 | HA1 | 119.5° | 120.0° |
| CA1 | CB1 | CG1 | HB11 | 125.3° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 125.2° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 115.9° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 66.0° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 59.2° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 168.7° | 60.0° |
| CB1 | CA1 | C1 | O1 | 49.7° | 30.1° |
| CB1 | CA1 | C1 | N2 | 131.6° | 150.0° |
| C1 | CA1 | CB1 | CG1 | 147.8° | 180.0° |
| C1 | CA1 | CB1 | HB11 | 87.0° | 60.0° |
| C1 | CA1 | CB1 | HB12 | 22.5° | 60.1° |
| CA1 | C1 | O1 | N2 | 178.6° | 180.0° |
| CA1 | C1 | N2 | CA2 | 177.9° | 179.9° |
| CA1 | C1 | N2 | HN2 | 2.1° | 0.0° |
| HA1 | CA1 | CB1 | CG1 | 19.3° | 60.0° |
| HA1 | CA1 | CB1 | HB11 | 144.6° | 59.9° |
| HA1 | CA1 | CB1 | HB12 | 105.9° | 180.0° |
| HA1 | CA1 | C1 | O1 | 169.3° | 150.0° |
| HA1 | CA1 | C1 | N2 | 12.1° | 30.0° |
| CG1 | CB1 | HB11 | HB12 | 116.0° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 125.3° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 125.3° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 117.9° | 119.9° |
| CB1 | CG1 | CD1 | CE1 | 175.1° | 180.0° |
| CB1 | CG1 | CD1 | HD11 | 59.7° | 60.0° |
| CB1 | CG1 | CD1 | HD12 | 49.8° | 60.0° |
| HB11 | CB1 | CG1 | CD1 | 168.7° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 66.0° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 43.5° | 60.0° |
| HB12 | CB1 | CG1 | CD1 | 59.2° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 175.6° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 66.0° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 117.8° | 120.0° |
| CG1 | CD1 | CE1 | HD11 | 125.3° | 120.0° |
| CG1 | CD1 | CE1 | HD12 | 125.3° | 120.1° |
| CG1 | CD1 | HD11 | HD12 | 118.0° | 120.0° |
| CG1 | CD1 | CE1 | CF1 | 178.4° | 180.0° |
| CG1 | CD1 | CE1 | HE11 | 56.4° | 60.1° |
| CG1 | CD1 | CE1 | HE12 | 53.2° | 60.0° |
| HG11 | CG1 | CD1 | CE1 | 49.8° | 60.0° |
| HG11 | CG1 | CD1 | HD11 | 175.1° | 180.0° |
| HG11 | CG1 | CD1 | HD12 | 75.5° | 60.0° |
| HG12 | CG1 | CD1 | CE1 | 59.6° | 60.0° |
| HG12 | CG1 | CD1 | HD11 | 65.6° | 60.0° |
| HG12 | CG1 | CD1 | HD12 | 175.1° | 180.0° |
| CE1 | CD1 | HD11 | HD12 | 117.9° | 119.9° |
| CD1 | CE1 | CF1 | HE11 | 125.2° | 120.0° |
| CD1 | CE1 | CF1 | HE12 | 125.3° | 120.0° |
| CD1 | CE1 | HE11 | HE12 | 117.7° | 120.0° |
| CD1 | CE1 | CF1 | HF11 | 180.0° | 180.0° |
| CD1 | CE1 | CF1 | HF12 | 54.8° | 60.0° |
| CD1 | CE1 | CF1 | HF13 | 54.8° | 60.0° |
| HD11 | CD1 | CE1 | CF1 | 53.2° | 60.0° |
| HD11 | CD1 | CE1 | HE11 | 178.4° | 179.9° |
| HD11 | CD1 | CE1 | HE12 | 72.1° | 60.0° |
| HD12 | CD1 | CE1 | CF1 | 56.3° | 60.0° |
| HD12 | CD1 | CE1 | HE11 | 68.9° | 60.0° |
| HD12 | CD1 | CE1 | HE12 | 178.5° | 179.9° |
| CF1 | CE1 | HE11 | HE12 | 117.6° | 119.9° |
| CE1 | CF1 | HF11 | HF12 | 125.3° | 120.0° |
| CE1 | CF1 | HF11 | HF13 | 125.3° | 120.0° |
| CE1 | CF1 | HF12 | HF13 | 117.7° | 119.9° |
| HE11 | CE1 | CF1 | HF11 | 54.8° | 60.0° |
| HE11 | CE1 | CF1 | HF12 | 180.0° | 60.0° |
| HE11 | CE1 | CF1 | HF13 | 70.5° | 179.9° |
| HE12 | CE1 | CF1 | HF11 | 54.7° | 60.0° |
| HE12 | CE1 | CF1 | HF12 | 70.5° | 180.0° |
| HE12 | CE1 | CF1 | HF13 | 180.0° | 60.1° |
| HF11 | CF1 | HF12 | HF13 | 117.5° | 120.0° |
| O1 | C1 | N2 | CA2 | 0.7° | 0.0° |
| O1 | C1 | N2 | HN2 | 179.3° | 179.9° |
| C1 | N2 | CA2 | HN2 | 180.0° | 179.9° |
| C1 | N2 | CA2 | CB2 | 166.5° | 150.0° |
| C1 | N2 | CA2 | C2 | 67.7° | 90.0° |
| C1 | N2 | CA2 | HA2 | 48.4° | 29.9° |
| N2 | CA2 | CB2 | C2 | 128.1° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 115.3° | 120.0° |
| N2 | CA2 | C2 | HA2 | 114.9° | 119.9° |
| N2 | CA2 | CB2 | CG2 | 162.2° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 36.8° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 72.6° | 179.9° |
| N2 | CA2 | C2 | O2 | 131.7° | 150.0° |
| N2 | CA2 | C2 | N3 | 48.2° | 30.0° |
| HN2 | N2 | CA2 | CB2 | 13.5° | 29.9° |
| HN2 | N2 | CA2 | C2 | 112.3° | 90.1° |
| HN2 | N2 | CA2 | HA2 | 131.6° | 150.0° |
| CB2 | CA2 | C2 | HA2 | 118.3° | 120.0° |
| CA2 | CB2 | CG2 | HB21 | 125.3° | 120.0° |
| CA2 | CB2 | CG2 | HB22 | 125.3° | 120.1° |
| CA2 | CB2 | HB21 | HB22 | 116.7° | 120.0° |
| CA2 | CB2 | CG2 | CD3 | 59.5° | 90.0° |
| CA2 | CB2 | CG2 | CD4 | 117.4° | 90.3° |
| CB2 | CA2 | C2 | O2 | 101.5° | 90.0° |
| CB2 | CA2 | C2 | N3 | 78.5° | 90.0° |
| C2 | CA2 | CB2 | CG2 | 69.7° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 165.0° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 55.5° | 60.0° |
| CA2 | C2 | O2 | N3 | 179.9° | 180.0° |
| CA2 | C2 | N3 | CA3 | 179.6° | 179.9° |
| CA2 | C2 | N3 | HN3 | 0.4° | 0.0° |
| HA2 | CA2 | CB2 | CG2 | 46.9° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 78.4° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 172.2° | 60.0° |
| HA2 | CA2 | C2 | O2 | 16.8° | 30.0° |
| HA2 | CA2 | C2 | N3 | 163.1° | 150.0° |
| CG2 | CB2 | HB21 | HB22 | 116.7° | 120.0° |
| CB2 | CG2 | CD3 | CD4 | 176.9° | 179.7° |
| CB2 | CG2 | CD3 | CE3 | 176.6° | 180.0° |
| CB2 | CG2 | CD3 | HD3 | 3.5° | 0.1° |
| CB2 | CG2 | CD4 | CE4 | 176.5° | 179.8° |
| CB2 | CG2 | CD4 | HD4 | 3.5° | 0.2° |
| HB21 | CB2 | CG2 | CD3 | 65.8° | 30.1° |
| HB21 | CB2 | CG2 | CD4 | 117.3° | 149.7° |
| HB22 | CB2 | CG2 | CD3 | 175.2° | 150.0° |
| HB22 | CB2 | CG2 | CD4 | 7.9° | 29.8° |
| CG2 | CD3 | CE3 | HD3 | 180.0° | 179.9° |
| CD3 | CG2 | CD4 | CE4 | 0.4° | 0.5° |
| CD3 | CG2 | CD4 | HD4 | 179.6° | 180.0° |
| CG2 | CD3 | CE3 | CZ2 | 0.0° | 0.1° |
| CG2 | CD3 | CE3 | HE3 | 180.0° | 180.0° |
| CD4 | CG2 | CD3 | CE3 | 0.4° | 0.2° |
| CD4 | CG2 | CD3 | HD3 | 179.6° | 179.7° |
| CG2 | CD4 | CE4 | HD4 | 180.0° | 179.5° |
| CG2 | CD4 | CE4 | CZ2 | 0.1° | 0.4° |
| CG2 | CD4 | CE4 | HE4 | 179.9° | 179.7° |
| CD3 | CE3 | CZ2 | HE3 | 179.9° | 179.9° |
| CD3 | CE3 | CZ2 | CE4 | 0.3° | 0.1° |
| CD3 | CE3 | CZ2 | HZ2 | 179.7° | 179.9° |
| HD3 | CD3 | CE3 | CZ2 | 179.9° | 180.0° |
| HD3 | CD3 | CE3 | HE3 | 0.0° | 0.1° |
| CD4 | CE4 | CZ2 | CE3 | 0.2° | 0.1° |
| CD4 | CE4 | CZ2 | HE4 | 180.0° | 179.9° |
| CD4 | CE4 | CZ2 | HZ2 | 179.8° | 179.9° |
| HD4 | CD4 | CE4 | CZ2 | 179.9° | 180.0° |
| HD4 | CD4 | CE4 | HE4 | 0.1° | 0.1° |
| CE3 | CZ2 | CE4 | HZ2 | 180.0° | 180.0° |
| CE3 | CZ2 | CE4 | HE4 | 179.8° | 180.0° |
| HE3 | CE3 | CZ2 | CE4 | 179.7° | 180.0° |
| HE3 | CE3 | CZ2 | HZ2 | 0.3° | 0.0° |
| HE4 | CE4 | CZ2 | HZ2 | 0.2° | 0.0° |
| O2 | C2 | N3 | CA3 | 0.5° | 0.1° |
| O2 | C2 | N3 | HN3 | 179.5° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 179.9° |
| C2 | N3 | CA3 | CB3 | 120.7° | 89.9° |
| C2 | N3 | CA3 | C3 | 116.4° | 150.0° |
| C2 | N3 | CA3 | HA3 | 1.8° | 30.1° |
| N3 | CA3 | CB3 | C3 | 123.0° | 120.0° |
| N3 | CA3 | CB3 | HA3 | 118.8° | 120.0° |
| N3 | CA3 | C3 | HA3 | 118.8° | 119.9° |
| N3 | CA3 | CB3 | HB31 | 180.0° | 60.0° |
| N3 | CA3 | CB3 | HB32 | 54.7° | 180.0° |
| N3 | CA3 | CB3 | HB33 | 54.7° | 60.0° |
| N3 | CA3 | C3 | O3 | 18.8° | 0.1° |
| N3 | CA3 | C3 | OXT | 158.9° | 179.9° |
| HN3 | N3 | CA3 | CB3 | 59.2° | 90.0° |
| HN3 | N3 | CA3 | C3 | 63.6° | 30.1° |
| HN3 | N3 | CA3 | HA3 | 178.2° | 150.0° |
| CB3 | CA3 | C3 | HA3 | 118.9° | 120.0° |
| CA3 | CB3 | HB31 | HB32 | 125.3° | 120.0° |
| CA3 | CB3 | HB31 | HB33 | 125.3° | 120.0° |
| CA3 | CB3 | HB32 | HB33 | 118.0° | 120.0° |
| CB3 | CA3 | C3 | O3 | 103.6° | 120.0° |
| CB3 | CA3 | C3 | OXT | 78.8° | 60.0° |
| C3 | CA3 | CB3 | HB31 | 57.0° | 60.0° |
| C3 | CA3 | CB3 | HB32 | 177.8° | 60.0° |
| C3 | CA3 | CB3 | HB33 | 68.3° | 180.0° |
| CA3 | C3 | O3 | OXT | 177.5° | 180.0° |
| CA3 | C3 | OXT | HXT | 179.9° | 179.9° |
| HA3 | CA3 | CB3 | HB31 | 61.2° | 180.0° |
| HA3 | CA3 | CB3 | HB32 | 64.1° | 60.0° |
| HA3 | CA3 | CB3 | HB33 | 173.6° | 60.0° |
| HA3 | CA3 | C3 | O3 | 137.5° | 120.0° |
| HA3 | CA3 | C3 | OXT | 40.1° | 60.0° |
| HB31 | CB3 | HB32 | HB33 | 117.9° | 120.0° |
| O3 | C3 | OXT | HXT | 2.5° | 0.1° |
