TGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C8A | sing | 1.34Å | 1.41Å | Aromatic |
| C2 | NA2 | sing | 1.37Å | 1.31Å | |
| C2 | N3 | sing | 1.36Å | 1.42Å | Aromatic |
| NA2 | HA21 | sing | 0.97Å | 1.02Å | |
| NA2 | HA22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.35Å | 1.41Å | Aromatic |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.27Å | |
| C4 | C4A | sing | 1.40Å | 1.51Å | Aromatic |
| C4A | N5 | sing | 1.41Å | 1.51Å | |
| C4A | C8A | doub | 1.39Å | 1.43Å | Aromatic |
| N5 | C6 | sing | 1.47Å | 1.45Å | |
| N5 | C5A | sing | 1.35Å | 1.36Å | |
| C6 | C7 | sing | 1.54Å | 1.49Å | |
| C6 | C9 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | N8 | sing | 1.47Å | 1.40Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| N8 | C8A | sing | 1.39Å | 1.42Å | |
| N8 | H8 | sing | 0.97Å | 1.02Å | |
| C9 | N10 | sing | 1.46Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| N10 | C14 | sing | 1.39Å | 1.42Å | |
| N10 | H10 | sing | 0.97Å | 1.02Å | |
| C11 | C12 | doub | 1.40Å | 1.47Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C | sing | 1.48Å | 1.48Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.39Å | 1.48Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | NG1 | sing | 1.35Å | 1.35Å | |
| NG1 | CA1 | sing | 1.46Å | 1.49Å | |
| NG1 | HG1 | sing | 0.97Å | 1.02Å | |
| CA1 | CB1 | sing | 1.53Å | 1.56Å | |
| CA1 | CT1 | sing | 1.51Å | 1.55Å | |
| CA1 | HA1 | sing | 1.09Å | 1.11Å | |
| CB1 | CG1 | sing | 1.53Å | 1.54Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.11Å | |
| CG1 | CD1 | sing | 1.51Å | 1.53Å | |
| CG1 | HG11 | sing | 1.09Å | 1.11Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CT1 | O11 | doub | 1.21Å | 1.25Å | |
| CT1 | O21 | sing | 1.34Å | 1.25Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C5A | O5B | doub | 1.21Å | 1.26Å | |
| C5A | H5A | sing | 1.08Å | 1.10Å | |
| OEB | CD1 | doub | 1.21Å | 1.24Å | |
| CD1 | NG2 | sing | 1.35Å | 1.35Å | |
| NG2 | CA2 | sing | 1.47Å | 1.50Å | |
| NG2 | HG2 | sing | 0.97Å | 1.02Å | |
| CA2 | CB2 | sing | 1.53Å | 1.55Å | |
| CA2 | CT2 | sing | 1.51Å | 1.55Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| CB2 | CG2 | sing | 1.53Å | 1.54Å | |
| CB2 | HB21 | sing | 1.09Å | 1.12Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| CG2 | CD2 | sing | 1.51Å | 1.54Å | |
| CG2 | HG21 | sing | 1.09Å | 1.12Å | |
| CG2 | HG22 | sing | 1.09Å | 1.12Å | |
| O12 | CT2 | doub | 1.21Å | 1.25Å | |
| O22 | CT2 | sing | 1.34Å | 1.25Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| OEC | CD2 | doub | 1.21Å | 1.24Å | |
| CD2 | NG3 | sing | 1.35Å | 1.35Å | |
| NG3 | CA3 | sing | 1.47Å | 1.45Å | |
| NG3 | HG3 | sing | 0.97Å | 1.02Å | |
| CA3 | CB3 | sing | 1.53Å | 1.55Å | |
| CA3 | CT3 | sing | 1.51Å | 1.54Å | |
| CA3 | HA3 | sing | 1.09Å | 1.12Å | |
| CB3 | CG3 | sing | 1.53Å | 1.53Å | |
| CB3 | HB31 | sing | 1.09Å | 1.11Å | |
| CB3 | HB32 | sing | 1.09Å | 1.11Å | |
| CG3 | CD3 | sing | 1.51Å | 1.52Å | |
| CG3 | HG31 | sing | 1.09Å | 1.12Å | |
| CG3 | HG32 | sing | 1.09Å | 1.12Å | |
| CD3 | OED | doub | 1.21Å | 1.25Å | |
| CD3 | OEN | sing | 1.34Å | 1.25Å | |
| OEN | H23E | sing | 0.97Å | 0.95Å | |
| O13 | CT3 | doub | 1.21Å | 1.24Å | |
| O23 | CT3 | sing | 1.34Å | 1.25Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 124.5° | 121.0° |
| N1 | C2 | NA2 | 131.8° | 119.2° |
| N1 | C2 | N3 | 114.0° | 121.6° |
| N1 | C8A | C4A | 122.0° | 119.6° |
| N1 | C8A | N8 | 116.3° | 120.5° |
| NA2 | C2 | N3 | 114.2° | 119.2° |
| C2 | NA2 | HA21 | 104.5° | 120.0° |
| C2 | NA2 | HA22 | 131.8° | 120.0° |
| C2 | N3 | C4 | 128.1° | 120.2° |
| C2 | N3 | H3 | 116.4° | 119.8° |
| HA21 | NA2 | HA22 | 104.5° | 120.0° |
| C4 | N3 | H3 | 115.5° | 120.0° |
| N3 | C4 | O4 | 121.3° | 120.8° |
| N3 | C4 | C4A | 115.7° | 118.5° |
| O4 | C4 | C4A | 123.0° | 120.7° |
| C4 | C4A | N5 | 125.7° | 120.8° |
| C4 | C4A | C8A | 115.8° | 119.0° |
| N5 | C4A | C8A | 118.6° | 120.1° |
| C4A | N5 | C6 | 112.1° | 118.5° |
| C4A | N5 | C5A | 120.9° | 120.7° |
| C4A | C8A | N8 | 121.2° | 119.8° |
| C6 | N5 | C5A | 127.0° | 120.7° |
| N5 | C6 | C7 | 112.3° | 108.0° |
| N5 | C6 | C9 | 115.3° | 109.7° |
| N5 | C6 | H6 | 102.3° | 109.8° |
| N5 | C5A | O5B | 118.1° | 120.0° |
| N5 | C5A | H5A | 124.6° | 120.0° |
| C7 | C6 | C9 | 106.0° | 109.8° |
| C7 | C6 | H6 | 112.2° | 109.7° |
| C6 | C7 | N8 | 118.0° | 108.4° |
| C6 | C7 | H71 | 109.1° | 109.7° |
| C6 | C7 | H72 | 109.1° | 109.7° |
| C9 | C6 | H6 | 109.0° | 109.8° |
| C6 | C9 | N10 | 110.9° | 109.5° |
| C6 | C9 | H91 | 111.6° | 109.6° |
| C6 | C9 | H92 | 111.7° | 109.4° |
| N8 | C7 | H71 | 109.1° | 109.7° |
| N8 | C7 | H72 | 109.1° | 109.6° |
| C7 | N8 | C8A | 117.6° | 119.1° |
| C7 | N8 | H8 | 109.3° | 120.5° |
| H71 | C7 | H72 | 101.0° | 109.7° |
| C8A | N8 | H8 | 109.3° | 120.4° |
| N10 | C9 | H91 | 111.7° | 109.5° |
| N10 | C9 | H92 | 111.7° | 109.4° |
| C9 | N10 | C14 | 126.6° | 120.1° |
| C9 | N10 | H10 | 106.2° | 120.0° |
| H91 | C9 | H92 | 98.7° | 109.4° |
| C14 | N10 | H10 | 106.2° | 120.0° |
| N10 | C14 | C13 | 114.5° | 120.0° |
| N10 | C14 | C15 | 119.4° | 119.9° |
| C12 | C11 | C16 | 119.6° | 119.9° |
| C12 | C11 | C | 122.4° | 120.0° |
| C11 | C12 | C13 | 120.4° | 119.9° |
| C11 | C12 | H12 | 122.1° | 120.0° |
| C16 | C11 | C | 118.0° | 120.1° |
| C11 | C16 | C15 | 122.7° | 119.9° |
| C11 | C16 | H16 | 117.3° | 120.0° |
| C11 | C | O | 118.5° | 120.0° |
| C11 | C | NG1 | 120.3° | 120.0° |
| C13 | C12 | H12 | 117.4° | 120.1° |
| C12 | C13 | C14 | 116.2° | 120.1° |
| C12 | C13 | H13 | 119.4° | 119.9° |
| C14 | C13 | H13 | 124.3° | 120.0° |
| C13 | C14 | C15 | 126.1° | 120.1° |
| C14 | C15 | C16 | 114.9° | 120.1° |
| C14 | C15 | H15 | 120.8° | 120.0° |
| C16 | C15 | H15 | 124.4° | 119.9° |
| C15 | C16 | H16 | 119.9° | 120.1° |
| O | C | NG1 | 121.1° | 120.0° |
| C | NG1 | CA1 | 129.9° | 120.0° |
| C | NG1 | HG1 | 108.7° | 120.0° |
| CA1 | NG1 | HG1 | 121.4° | 120.0° |
| NG1 | CA1 | CB1 | 118.1° | 109.5° |
| NG1 | CA1 | CT1 | 109.6° | 109.5° |
| NG1 | CA1 | HA1 | 103.5° | 109.5° |
| CB1 | CA1 | CT1 | 110.2° | 109.5° |
| CB1 | CA1 | HA1 | 102.7° | 109.4° |
| CA1 | CB1 | CG1 | 120.7° | 109.5° |
| CA1 | CB1 | HB11 | 108.2° | 109.4° |
| CA1 | CB1 | HB12 | 108.2° | 109.5° |
| CT1 | CA1 | HA1 | 112.5° | 109.5° |
| CA1 | CT1 | O11 | 118.6° | 120.0° |
| CA1 | CT1 | O21 | 118.3° | 120.0° |
| CG1 | CB1 | HB11 | 108.2° | 109.5° |
| CG1 | CB1 | HB12 | 108.2° | 109.5° |
| CB1 | CG1 | CD1 | 113.1° | 109.5° |
| CB1 | CG1 | HG11 | 110.9° | 109.5° |
| CB1 | CG1 | HG12 | 110.9° | 109.5° |
| HB11 | CB1 | HB12 | 101.8° | 109.4° |
| CD1 | CG1 | HG11 | 110.9° | 109.4° |
| CD1 | CG1 | HG12 | 110.9° | 109.5° |
| CG1 | CD1 | OEB | 117.8° | 120.0° |
| CG1 | CD1 | NG2 | 116.2° | 120.0° |
| HG11 | CG1 | HG12 | 99.4° | 109.5° |
| O11 | CT1 | O21 | 123.2° | 120.0° |
| CT1 | O21 | H21 | 118.2° | 120.0° |
| O5B | C5A | H5A | 117.3° | 120.0° |
| OEB | CD1 | NG2 | 123.5° | 120.0° |
| CD1 | NG2 | CA2 | 127.7° | 119.9° |
| CD1 | NG2 | HG2 | 110.2° | 120.0° |
| CA2 | NG2 | HG2 | 122.1° | 120.1° |
| NG2 | CA2 | CB2 | 109.0° | 109.4° |
| NG2 | CA2 | CT2 | 113.4° | 109.5° |
| NG2 | CA2 | HA2 | 107.4° | 109.5° |
| CB2 | CA2 | CT2 | 110.3° | 109.5° |
| CB2 | CA2 | HA2 | 110.7° | 109.5° |
| CA2 | CB2 | CG2 | 116.4° | 109.5° |
| CA2 | CB2 | HB21 | 109.7° | 109.5° |
| CA2 | CB2 | HB22 | 109.7° | 109.5° |
| CT2 | CA2 | HA2 | 106.0° | 109.5° |
| CA2 | CT2 | O12 | 116.8° | 120.0° |
| CA2 | CT2 | O22 | 119.8° | 120.0° |
| CG2 | CB2 | HB21 | 109.7° | 109.4° |
| CG2 | CB2 | HB22 | 109.7° | 109.4° |
| CB2 | CG2 | CD2 | 110.6° | 109.5° |
| CB2 | CG2 | HG21 | 111.8° | 109.5° |
| CB2 | CG2 | HG22 | 111.8° | 109.5° |
| HB21 | CB2 | HB22 | 100.5° | 109.5° |
| CD2 | CG2 | HG21 | 111.7° | 109.4° |
| CD2 | CG2 | HG22 | 111.7° | 109.4° |
| CG2 | CD2 | OEC | 121.1° | 120.0° |
| CG2 | CD2 | NG3 | 114.9° | 120.0° |
| HG21 | CG2 | HG22 | 98.7° | 109.5° |
| O12 | CT2 | O22 | 123.4° | 120.0° |
| CT2 | O22 | H22 | 119.8° | 120.0° |
| OEC | CD2 | NG3 | 123.9° | 120.0° |
| CD2 | NG3 | CA3 | 126.0° | 120.0° |
| CD2 | NG3 | HG3 | 112.7° | 120.0° |
| CA3 | NG3 | HG3 | 121.3° | 120.0° |
| NG3 | CA3 | CB3 | 109.5° | 109.5° |
| NG3 | CA3 | CT3 | 110.1° | 109.5° |
| NG3 | CA3 | HA3 | 109.4° | 109.4° |
| CB3 | CA3 | CT3 | 110.6° | 109.5° |
| CB3 | CA3 | HA3 | 108.9° | 109.5° |
| CA3 | CB3 | CG3 | 116.2° | 109.5° |
| CA3 | CB3 | HB31 | 109.8° | 109.5° |
| CA3 | CB3 | HB32 | 109.8° | 109.5° |
| CT3 | CA3 | HA3 | 108.3° | 109.5° |
| CA3 | CT3 | O13 | 118.0° | 120.0° |
| CA3 | CT3 | O23 | 119.1° | 120.0° |
| CG3 | CB3 | HB31 | 109.8° | 109.5° |
| CG3 | CB3 | HB32 | 109.8° | 109.5° |
| CB3 | CG3 | CD3 | 113.8° | 109.5° |
| CB3 | CG3 | HG31 | 110.6° | 109.5° |
| CB3 | CG3 | HG32 | 110.6° | 109.5° |
| HB31 | CB3 | HB32 | 100.4° | 109.5° |
| CD3 | CG3 | HG31 | 110.6° | 109.4° |
| CD3 | CG3 | HG32 | 110.6° | 109.5° |
| CG3 | CD3 | OED | 118.7° | 120.0° |
| CG3 | CD3 | OEN | 118.2° | 120.0° |
| HG31 | CG3 | HG32 | 99.7° | 109.5° |
| OED | CD3 | OEN | 123.1° | 120.0° |
| CD3 | OEN | H23E | 118.2° | 119.9° |
| O13 | CT3 | O23 | 122.9° | 120.0° |
| CT3 | O23 | H23 | 119.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | NA2 | N3 | 179.8° | 179.7° |
| N1 | C2 | NA2 | HA21 | 54.7° | 0.1° |
| N1 | C2 | NA2 | HA22 | 180.0° | 179.8° |
| N1 | C2 | N3 | C4 | 0.1° | 0.4° |
| N1 | C2 | N3 | H3 | 179.9° | 179.9° |
| C2 | N1 | C8A | C4A | 0.9° | 0.2° |
| C2 | N1 | C8A | N8 | 170.8° | 179.7° |
| C8A | N1 | C2 | NA2 | 179.7° | 180.0° |
| C8A | N1 | C2 | N3 | 0.4° | 0.3° |
| N1 | C8A | C4A | C4 | 0.7° | 0.2° |
| N1 | C8A | C4A | N5 | 179.3° | 179.8° |
| N1 | C8A | C4A | N8 | 171.2° | 179.9° |
| N1 | C8A | N8 | C7 | 178.8° | 162.9° |
| N1 | C8A | N8 | H8 | 53.5° | 17.1° |
| C2 | NA2 | HA21 | HA22 | 141.1° | 179.8° |
| NA2 | C2 | N3 | C4 | 179.8° | 179.8° |
| NA2 | C2 | N3 | H3 | 0.2° | 0.4° |
| N3 | C2 | NA2 | HA21 | 125.4° | 179.7° |
| N3 | C2 | NA2 | HA22 | 0.2° | 0.5° |
| C2 | N3 | C4 | H3 | 180.0° | 179.5° |
| C2 | N3 | C4 | O4 | 179.8° | 179.8° |
| C2 | N3 | C4 | C4A | 0.2° | 0.5° |
| N3 | C4 | O4 | C4A | 180.0° | 179.7° |
| N3 | C4 | C4A | N5 | 179.8° | 179.7° |
| N3 | C4 | C4A | C8A | 0.2° | 0.3° |
| H3 | N3 | C4 | O4 | 0.2° | 0.3° |
| H3 | N3 | C4 | C4A | 179.8° | 179.9° |
| O4 | C4 | C4A | N5 | 0.2° | 0.1° |
| O4 | C4 | C4A | C8A | 179.8° | 179.9° |
| C4 | C4A | N5 | C8A | 180.0° | 180.0° |
| C4 | C4A | N5 | C6 | 149.2° | 163.9° |
| C4 | C4A | N5 | C5A | 31.0° | 16.0° |
| C4 | C4A | C8A | N8 | 170.5° | 179.7° |
| C4A | N5 | C6 | C5A | 179.8° | 179.9° |
| C4A | N5 | C6 | C7 | 48.3° | 44.2° |
| C4A | N5 | C6 | C9 | 73.2° | 75.4° |
| C4A | N5 | C6 | H6 | 168.8° | 163.8° |
| N5 | C4A | C8A | N8 | 9.5° | 0.3° |
| C4A | N5 | C5A | O5B | 78.6° | 174.3° |
| C4A | N5 | C5A | H5A | 101.4° | 5.8° |
| C8A | C4A | N5 | C6 | 30.8° | 16.1° |
| C8A | C4A | N5 | C5A | 149.0° | 164.0° |
| C4A | C8A | N8 | C7 | 7.1° | 17.2° |
| C4A | C8A | N8 | H8 | 118.2° | 162.8° |
| N5 | C6 | C7 | C9 | 126.7° | 119.6° |
| N5 | C6 | C7 | H6 | 114.5° | 119.6° |
| N5 | C6 | C9 | H6 | 114.2° | 120.8° |
| N5 | C6 | C7 | N8 | 48.8° | 56.4° |
| N5 | C6 | C7 | H71 | 174.1° | 63.4° |
| N5 | C6 | C7 | H72 | 76.5° | 176.0° |
| N5 | C6 | C9 | N10 | 53.5° | 60.1° |
| N5 | C6 | C9 | H91 | 178.8° | 60.0° |
| N5 | C6 | C9 | H92 | 71.7° | 180.0° |
| C6 | N5 | C5A | O5B | 101.2° | 5.6° |
| C6 | N5 | C5A | H5A | 78.8° | 174.3° |
| C5A | N5 | C6 | C7 | 131.5° | 135.9° |
| C5A | N5 | C6 | C9 | 107.0° | 104.5° |
| C5A | N5 | C6 | H6 | 11.1° | 16.3° |
| N5 | C5A | O5B | H5A | 180.0° | 179.9° |
| C7 | C6 | C9 | H6 | 120.9° | 120.7° |
| C6 | C7 | N8 | H71 | 125.3° | 119.8° |
| C6 | C7 | N8 | H72 | 125.3° | 119.7° |
| C6 | C7 | H71 | H72 | 114.9° | 120.5° |
| C6 | C7 | N8 | C8A | 26.6° | 45.7° |
| C6 | C7 | N8 | H8 | 98.7° | 134.3° |
| C7 | C6 | C9 | N10 | 178.4° | 178.6° |
| C7 | C6 | C9 | H91 | 56.4° | 58.5° |
| C7 | C6 | C9 | H92 | 53.1° | 61.5° |
| C9 | C6 | C7 | N8 | 77.9° | 63.2° |
| C9 | C6 | C7 | H71 | 47.4° | 177.0° |
| C9 | C6 | C7 | H72 | 156.9° | 56.4° |
| C6 | C9 | N10 | H91 | 125.2° | 120.2° |
| C6 | C9 | N10 | H92 | 125.3° | 119.9° |
| C6 | C9 | H91 | H92 | 117.6° | 119.9° |
| C6 | C9 | N10 | C14 | 165.0° | 180.0° |
| C6 | C9 | N10 | H10 | 39.7° | 0.1° |
| H6 | C6 | C7 | N8 | 163.3° | 176.0° |
| H6 | C6 | C7 | H71 | 71.4° | 56.2° |
| H6 | C6 | C7 | H72 | 38.0° | 64.4° |
| H6 | C6 | C9 | N10 | 60.7° | 60.6° |
| H6 | C6 | C9 | H91 | 64.6° | 179.2° |
| H6 | C6 | C9 | H92 | 174.0° | 59.3° |
| N8 | C7 | H71 | H72 | 114.8° | 120.5° |
| C7 | N8 | C8A | H8 | 125.3° | 180.0° |
| H71 | C7 | N8 | C8A | 151.9° | 74.1° |
| H71 | C7 | N8 | H8 | 26.6° | 105.9° |
| H72 | C7 | N8 | C8A | 98.6° | 165.3° |
| H72 | C7 | N8 | H8 | 136.1° | 14.7° |
| N10 | C9 | H91 | H92 | 117.6° | 120.0° |
| C9 | N10 | C14 | H10 | 125.3° | 179.9° |
| C9 | N10 | C14 | C13 | 138.1° | 180.0° |
| C9 | N10 | C14 | C15 | 42.2° | 0.1° |
| H91 | C9 | N10 | C14 | 69.8° | 59.8° |
| H91 | C9 | N10 | H10 | 165.0° | 120.0° |
| H92 | C9 | N10 | C14 | 39.7° | 60.1° |
| H92 | C9 | N10 | H10 | 85.6° | 120.0° |
| N10 | C14 | C13 | C12 | 179.9° | 179.9° |
| N10 | C14 | C13 | C15 | 179.7° | 179.8° |
| N10 | C14 | C13 | H13 | 0.1° | 0.0° |
| N10 | C14 | C15 | C16 | 180.0° | 179.7° |
| N10 | C14 | C15 | H15 | 0.1° | 0.1° |
| H10 | N10 | C14 | C13 | 96.7° | 0.1° |
| H10 | N10 | C14 | C15 | 83.0° | 179.7° |
| C12 | C11 | C16 | C | 179.9° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.3° |
| C12 | C11 | C16 | H16 | 179.8° | 179.9° |
| C12 | C11 | C | O | 179.9° | 0.1° |
| C12 | C11 | C | NG1 | 0.8° | 180.0° |
| C16 | C11 | C12 | C13 | 0.2° | 0.0° |
| C16 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C16 | C15 | C14 | 0.0° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.8° |
| C11 | C16 | C15 | H15 | 180.0° | 179.9° |
| C16 | C11 | C | O | 0.2° | 180.0° |
| C16 | C11 | C | NG1 | 179.1° | 0.1° |
| C | C11 | C12 | C13 | 179.7° | 180.0° |
| C | C11 | C12 | H12 | 0.3° | 0.1° |
| C | C11 | C16 | C15 | 179.7° | 179.8° |
| C | C11 | C16 | H16 | 0.3° | 0.0° |
| C11 | C | O | NG1 | 179.3° | 179.9° |
| C11 | C | NG1 | CA1 | 148.7° | 180.0° |
| C11 | C | NG1 | HG1 | 31.3° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.2° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.1° |
| C13 | C14 | C15 | C16 | 0.3° | 0.5° |
| C13 | C14 | C15 | H15 | 179.7° | 179.9° |
| H13 | C13 | C14 | C15 | 179.8° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.6° |
| C14 | C15 | C16 | H16 | 179.9° | 179.7° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| O | C | NG1 | CA1 | 30.6° | 0.1° |
| O | C | NG1 | HG1 | 149.4° | 179.9° |
| C | NG1 | CA1 | HG1 | 180.0° | 180.0° |
| C | NG1 | CA1 | CB1 | 12.7° | 150.0° |
| C | NG1 | CA1 | CT1 | 139.9° | 90.0° |
| C | NG1 | CA1 | HA1 | 99.9° | 30.0° |
| NG1 | CA1 | CB1 | CT1 | 127.0° | 120.1° |
| NG1 | CA1 | CB1 | HA1 | 113.0° | 120.0° |
| NG1 | CA1 | CT1 | HA1 | 114.5° | 120.0° |
| NG1 | CA1 | CB1 | CG1 | 61.4° | 59.9° |
| NG1 | CA1 | CB1 | HB11 | 63.9° | 60.0° |
| NG1 | CA1 | CB1 | HB12 | 173.4° | 180.0° |
| NG1 | CA1 | CT1 | O11 | 1.7° | 150.0° |
| NG1 | CA1 | CT1 | O21 | 177.8° | 30.0° |
| HG1 | NG1 | CA1 | CB1 | 167.3° | 30.0° |
| HG1 | NG1 | CA1 | CT1 | 40.1° | 90.0° |
| HG1 | NG1 | CA1 | HA1 | 80.1° | 150.0° |
| CB1 | CA1 | CT1 | HA1 | 114.0° | 119.9° |
| CA1 | CB1 | CG1 | HB11 | 125.2° | 119.9° |
| CA1 | CB1 | CG1 | HB12 | 125.3° | 120.1° |
| CA1 | CB1 | HB11 | HB12 | 113.8° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 128.3° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 3.1° | 60.1° |
| CA1 | CB1 | CG1 | HG12 | 106.4° | 60.0° |
| CB1 | CA1 | CT1 | O11 | 129.9° | 90.0° |
| CB1 | CA1 | CT1 | O21 | 50.6° | 90.1° |
| CT1 | CA1 | CB1 | CG1 | 65.6° | 180.0° |
| CT1 | CA1 | CB1 | HB11 | 169.2° | 60.0° |
| CT1 | CA1 | CB1 | HB12 | 59.7° | 59.9° |
| CA1 | CT1 | O11 | O21 | 179.5° | 180.0° |
| CA1 | CT1 | O21 | H21 | 180.0° | 180.0° |
| HA1 | CA1 | CB1 | CG1 | 174.4° | 60.0° |
| HA1 | CA1 | CB1 | HB11 | 49.1° | 180.0° |
| HA1 | CA1 | CB1 | HB12 | 60.4° | 60.1° |
| HA1 | CA1 | CT1 | O11 | 116.2° | 30.0° |
| HA1 | CA1 | CT1 | O21 | 63.3° | 150.0° |
| CG1 | CB1 | HB11 | HB12 | 113.8° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 125.3° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 125.2° | 120.1° |
| CB1 | CG1 | HG11 | HG12 | 116.8° | 120.1° |
| CB1 | CG1 | CD1 | OEB | 45.2° | 0.1° |
| CB1 | CG1 | CD1 | NG2 | 152.1° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 106.4° | 60.1° |
| HB11 | CB1 | CG1 | HG11 | 128.3° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 18.8° | 60.0° |
| HB12 | CB1 | CG1 | CD1 | 3.1° | 59.9° |
| HB12 | CB1 | CG1 | HG11 | 122.2° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 128.3° | 179.9° |
| CD1 | CG1 | HG11 | HG12 | 116.8° | 120.0° |
| CG1 | CD1 | OEB | NG2 | 161.3° | 179.9° |
| CG1 | CD1 | NG2 | CA2 | 155.7° | 180.0° |
| CG1 | CD1 | NG2 | HG2 | 24.3° | 0.0° |
| HG11 | CG1 | CD1 | OEB | 80.1° | 120.0° |
| HG11 | CG1 | CD1 | NG2 | 82.6° | 60.0° |
| HG12 | CG1 | CD1 | OEB | 170.5° | 120.0° |
| HG12 | CG1 | CD1 | NG2 | 26.8° | 60.0° |
| O11 | CT1 | O21 | H21 | 0.5° | 0.0° |
| OEB | CD1 | NG2 | CA2 | 42.7° | 0.0° |
| OEB | CD1 | NG2 | HG2 | 137.3° | 180.0° |
| CD1 | NG2 | CA2 | HG2 | 180.0° | 180.0° |
| CD1 | NG2 | CA2 | CB2 | 133.8° | 150.0° |
| CD1 | NG2 | CA2 | CT2 | 10.5° | 90.0° |
| CD1 | NG2 | CA2 | HA2 | 106.3° | 30.0° |
| NG2 | CA2 | CB2 | CT2 | 125.1° | 120.0° |
| NG2 | CA2 | CB2 | HA2 | 117.9° | 120.0° |
| NG2 | CA2 | CT2 | HA2 | 117.6° | 120.0° |
| NG2 | CA2 | CB2 | CG2 | 45.4° | 60.0° |
| NG2 | CA2 | CB2 | HB21 | 79.8° | 60.0° |
| NG2 | CA2 | CB2 | HB22 | 170.7° | 180.0° |
| NG2 | CA2 | CT2 | O12 | 107.9° | 150.1° |
| NG2 | CA2 | CT2 | O22 | 72.1° | 30.0° |
| HG2 | NG2 | CA2 | CB2 | 46.2° | 30.0° |
| HG2 | NG2 | CA2 | CT2 | 169.5° | 90.0° |
| HG2 | NG2 | CA2 | HA2 | 73.7° | 150.0° |
| CB2 | CA2 | CT2 | HA2 | 119.9° | 120.0° |
| CA2 | CB2 | CG2 | HB21 | 125.3° | 120.0° |
| CA2 | CB2 | CG2 | HB22 | 125.3° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 115.5° | 120.0° |
| CA2 | CB2 | CG2 | CD2 | 101.6° | 180.0° |
| CA2 | CB2 | CG2 | HG21 | 133.1° | 60.0° |
| CA2 | CB2 | CG2 | HG22 | 23.6° | 60.0° |
| CB2 | CA2 | CT2 | O12 | 129.5° | 90.0° |
| CB2 | CA2 | CT2 | O22 | 50.4° | 90.0° |
| CT2 | CA2 | CB2 | CG2 | 79.7° | 180.0° |
| CT2 | CA2 | CB2 | HB21 | 155.1° | 60.0° |
| CT2 | CA2 | CB2 | HB22 | 45.6° | 60.0° |
| CA2 | CT2 | O12 | O22 | 179.9° | 180.0° |
| CA2 | CT2 | O22 | H22 | 180.0° | 180.0° |
| HA2 | CA2 | CB2 | CG2 | 163.3° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 38.1° | 179.9° |
| HA2 | CA2 | CB2 | HB22 | 71.4° | 60.0° |
| HA2 | CA2 | CT2 | O12 | 9.6° | 30.0° |
| HA2 | CA2 | CT2 | O22 | 170.3° | 150.0° |
| CG2 | CB2 | HB21 | HB22 | 115.5° | 120.0° |
| CB2 | CG2 | CD2 | HG21 | 125.3° | 120.0° |
| CB2 | CG2 | CD2 | HG22 | 125.3° | 120.0° |
| CB2 | CG2 | HG21 | HG22 | 117.7° | 120.0° |
| CB2 | CG2 | CD2 | OEC | 162.2° | 0.0° |
| CB2 | CG2 | CD2 | NG3 | 17.0° | 180.0° |
| HB21 | CB2 | CG2 | CD2 | 23.6° | 60.0° |
| HB21 | CB2 | CG2 | HG21 | 101.6° | 180.0° |
| HB21 | CB2 | CG2 | HG22 | 148.9° | 60.0° |
| HB22 | CB2 | CG2 | CD2 | 133.1° | 60.0° |
| HB22 | CB2 | CG2 | HG21 | 7.9° | 60.0° |
| HB22 | CB2 | CG2 | HG22 | 101.7° | 180.0° |
| CD2 | CG2 | HG21 | HG22 | 117.7° | 119.9° |
| CG2 | CD2 | OEC | NG3 | 179.2° | 180.0° |
| CG2 | CD2 | NG3 | CA3 | 169.5° | 180.0° |
| CG2 | CD2 | NG3 | HG3 | 10.5° | 0.0° |
| HG21 | CG2 | CD2 | OEC | 72.5° | 120.0° |
| HG21 | CG2 | CD2 | NG3 | 108.2° | 60.0° |
| HG22 | CG2 | CD2 | OEC | 37.0° | 120.0° |
| HG22 | CG2 | CD2 | NG3 | 142.3° | 60.0° |
| O12 | CT2 | O22 | H22 | 0.1° | 0.0° |
| OEC | CD2 | NG3 | CA3 | 11.3° | 0.0° |
| OEC | CD2 | NG3 | HG3 | 168.7° | 180.0° |
| CD2 | NG3 | CA3 | HG3 | 180.0° | 180.0° |
| CD2 | NG3 | CA3 | CB3 | 128.4° | 150.0° |
| CD2 | NG3 | CA3 | CT3 | 109.8° | 90.0° |
| CD2 | NG3 | CA3 | HA3 | 9.1° | 30.0° |
| NG3 | CA3 | CB3 | CT3 | 121.5° | 120.0° |
| NG3 | CA3 | CB3 | HA3 | 119.6° | 120.0° |
| NG3 | CA3 | CT3 | HA3 | 119.6° | 120.0° |
| NG3 | CA3 | CB3 | CG3 | 76.7° | 60.0° |
| NG3 | CA3 | CB3 | HB31 | 48.5° | 60.0° |
| NG3 | CA3 | CB3 | HB32 | 158.0° | 180.0° |
| NG3 | CA3 | CT3 | O13 | 164.7° | 150.0° |
| NG3 | CA3 | CT3 | O23 | 15.7° | 30.0° |
| HG3 | NG3 | CA3 | CB3 | 51.6° | 30.0° |
| HG3 | NG3 | CA3 | CT3 | 70.2° | 90.1° |
| HG3 | NG3 | CA3 | HA3 | 170.9° | 150.0° |
| CB3 | CA3 | CT3 | HA3 | 119.3° | 120.0° |
| CA3 | CB3 | CG3 | HB31 | 125.2° | 120.0° |
| CA3 | CB3 | CG3 | HB32 | 125.3° | 120.0° |
| CA3 | CB3 | HB31 | HB32 | 115.6° | 120.0° |
| CA3 | CB3 | CG3 | CD3 | 138.4° | 180.0° |
| CA3 | CB3 | CG3 | HG31 | 96.4° | 60.1° |
| CA3 | CB3 | CG3 | HG32 | 13.1° | 60.0° |
| CB3 | CA3 | CT3 | O13 | 74.2° | 90.0° |
| CB3 | CA3 | CT3 | O23 | 105.5° | 90.0° |
| CT3 | CA3 | CB3 | CG3 | 44.8° | 180.0° |
| CT3 | CA3 | CB3 | HB31 | 170.0° | 60.0° |
| CT3 | CA3 | CB3 | HB32 | 80.5° | 60.0° |
| CA3 | CT3 | O13 | O23 | 179.6° | 180.0° |
| CA3 | CT3 | O23 | H23 | 180.0° | 180.0° |
| HA3 | CA3 | CB3 | CG3 | 163.7° | 60.0° |
| HA3 | CA3 | CB3 | HB31 | 71.1° | 180.0° |
| HA3 | CA3 | CB3 | HB32 | 38.4° | 60.0° |
| HA3 | CA3 | CT3 | O13 | 45.1° | 30.1° |
| HA3 | CA3 | CT3 | O23 | 135.3° | 150.0° |
| CG3 | CB3 | HB31 | HB32 | 115.6° | 120.0° |
| CB3 | CG3 | CD3 | HG31 | 125.3° | 120.0° |
| CB3 | CG3 | CD3 | HG32 | 125.3° | 120.0° |
| CB3 | CG3 | HG31 | HG32 | 116.5° | 120.1° |
| CB3 | CG3 | CD3 | OED | 86.1° | 0.0° |
| CB3 | CG3 | CD3 | OEN | 94.2° | 180.0° |
| HB31 | CB3 | CG3 | CD3 | 13.1° | 60.0° |
| HB31 | CB3 | CG3 | HG31 | 138.4° | 180.0° |
| HB31 | CB3 | CG3 | HG32 | 112.2° | 60.0° |
| HB32 | CB3 | CG3 | CD3 | 96.4° | 60.0° |
| HB32 | CB3 | CG3 | HG31 | 28.9° | 59.9° |
| HB32 | CB3 | CG3 | HG32 | 138.4° | 180.0° |
| CD3 | CG3 | HG31 | HG32 | 116.5° | 120.0° |
| CG3 | CD3 | OED | OEN | 179.7° | 180.0° |
| CG3 | CD3 | OEN | H23E | 180.0° | 180.0° |
| HG31 | CG3 | CD3 | OED | 39.2° | 120.0° |
| HG31 | CG3 | CD3 | OEN | 140.5° | 60.0° |
| HG32 | CG3 | CD3 | OED | 148.7° | 120.0° |
| HG32 | CG3 | CD3 | OEN | 31.0° | 60.0° |
| OED | CD3 | OEN | H23E | 0.3° | 0.0° |
| O13 | CT3 | O23 | H23 | 0.4° | 0.0° |
