PFG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.38Å | 1.33Å | Aromatic |
| N1 | C8A | sing | 1.40Å | 1.36Å | Aromatic |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C2 | NA2 | sing | 1.37Å | 1.32Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| NA2 | HN21 | sing | 0.99Å | 1.00Å | |
| NA2 | HN22 | sing | 0.99Å | 1.00Å | |
| N3 | C4 | sing | 1.38Å | 1.33Å | Aromatic |
| C4 | O4 | doub | 1.23Å | 1.37Å | |
| C4 | C4A | sing | 1.49Å | 1.39Å | Aromatic |
| C4A | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C4A | C8A | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C9 | sing | 1.50Å | 1.51Å | |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | C8A | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C9 | N10 | sing | 1.45Å | 1.48Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| N10 | CP1 | sing | 1.45Å | 1.45Å | |
| N10 | C14 | sing | 1.41Å | 4.20Å | |
| CP1 | CP2 | sing | 1.47Å | 1.48Å | |
| CP1 | HP11 | sing | 1.09Å | 1.10Å | |
| CP1 | HP12 | sing | 1.09Å | 1.10Å | |
| CP2 | CP3 | trip | 1.20Å | 1.21Å | |
| CP3 | HP3 | sing | 1.07Å | 1.06Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C | sing | 1.49Å | 4.31Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C | O | doub | 1.23Å | 1.25Å | |
| C | NP1 | sing | 1.39Å | 1.36Å | |
| NP1 | CA1 | sing | 1.44Å | 1.49Å | |
| NP1 | HNP1 | sing | 1.02Å | 1.00Å | |
| CA1 | CB1 | sing | 1.53Å | 1.55Å | |
| CA1 | CT1 | sing | 1.52Å | 1.54Å | |
| CA1 | HA1 | sing | 1.10Å | 1.10Å | |
| CB1 | CG1 | sing | 1.53Å | 1.52Å | |
| CB1 | HB11 | sing | 1.10Å | 1.10Å | |
| CB1 | HB12 | sing | 1.10Å | 1.10Å | |
| CG1 | CD1 | sing | 1.52Å | 1.52Å | |
| CG1 | HG11 | sing | 1.10Å | 1.10Å | |
| CG1 | HG12 | sing | 1.10Å | 1.10Å | |
| CD1 | OE1 | doub | 1.23Å | 1.24Å | |
| CD1 | NP2 | sing | 1.39Å | 1.34Å | |
| CT1 | O11 | doub | 1.22Å | 1.22Å | |
| CT1 | O21 | sing | 1.36Å | 1.23Å | |
| O21 | HO21 | sing | 0.98Å | 0.95Å | |
| NP2 | CA2 | sing | 1.44Å | 1.49Å | |
| NP2 | HNP2 | sing | 1.02Å | 1.00Å | |
| CA2 | CB2 | sing | 1.53Å | 1.55Å | |
| CA2 | CT2 | sing | 1.52Å | 1.54Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | CG2 | sing | 1.53Å | 1.57Å | |
| CB2 | HB21 | sing | 1.10Å | 1.10Å | |
| CB2 | HB22 | sing | 1.10Å | 1.10Å | |
| CG2 | CD2 | sing | 1.52Å | 1.55Å | |
| CG2 | HG21 | sing | 1.10Å | 1.10Å | |
| CG2 | HG22 | sing | 1.10Å | 1.10Å | |
| CD2 | OE2 | doub | 1.23Å | 1.24Å | |
| CD2 | NP3 | sing | 1.39Å | 1.34Å | |
| CT2 | O12 | doub | 1.22Å | 1.24Å | |
| CT2 | O22 | sing | 1.36Å | 1.25Å | |
| O22 | HO22 | sing | 0.98Å | 0.95Å | |
| NP3 | CA3 | sing | 1.44Å | 1.49Å | |
| NP3 | HNP3 | sing | 1.02Å | 1.00Å | |
| CA3 | CB3 | sing | 1.53Å | 1.55Å | |
| CA3 | CT3 | sing | 1.52Å | 1.55Å | |
| CA3 | HA3 | sing | 1.09Å | 1.10Å | |
| CB3 | CG3 | sing | 1.53Å | 1.52Å | |
| CB3 | HB31 | sing | 1.10Å | 1.10Å | |
| CB3 | HB32 | sing | 1.10Å | 1.10Å | |
| CG3 | CD3 | sing | 1.52Å | 1.52Å | |
| CG3 | HG31 | sing | 1.10Å | 1.10Å | |
| CG3 | HG32 | sing | 1.10Å | 1.10Å | |
| CD3 | OE3 | doub | 1.23Å | 1.24Å | |
| CD3 | NP4 | sing | 1.39Å | 1.34Å | |
| CT3 | O13 | doub | 1.22Å | 1.25Å | |
| CT3 | O23 | sing | 1.36Å | 1.23Å | |
| O23 | HO23 | sing | 0.98Å | 0.95Å | |
| NP4 | CA4 | sing | 1.44Å | 47.42Å | |
| NP4 | HNP4 | sing | 1.02Å | 1.00Å | |
| CA4 | CB4 | sing | 1.54Å | 0.00Å | |
| CA4 | CT4 | sing | 1.52Å | 0.00Å | |
| CA4 | HA4 | sing | 1.10Å | 0.00Å | |
| CB4 | CG4 | sing | 1.53Å | 0.00Å | |
| CB4 | HB41 | sing | 1.10Å | 0.00Å | |
| CB4 | HB42 | sing | 1.10Å | 0.00Å | |
| CG4 | CD4 | sing | 1.51Å | 0.00Å | |
| CG4 | HG41 | sing | 1.10Å | 0.00Å | |
| CG4 | HG42 | sing | 1.10Å | 0.00Å | |
| CD4 | OE4 | doub | 1.22Å | 0.00Å | |
| CD4 | OE | sing | 1.36Å | 0.00Å | |
| OE | HOE | sing | 0.98Å | 0.00Å | |
| CT4 | O14 | doub | 1.22Å | 0.00Å | |
| CT4 | O24 | sing | 1.36Å | 0.00Å | |
| O24 | HO24 | sing | 0.98Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 120.4° | 119.6° |
| C2 | N1 | HN1 | 119.8° | 121.6° |
| N1 | C2 | NA2 | 122.6° | 113.1° |
| N1 | C2 | N3 | 119.9° | 124.9° |
| C8A | N1 | HN1 | 119.8° | 118.9° |
| N1 | C8A | C4A | 120.9° | 118.9° |
| N1 | C8A | C8 | 121.5° | 121.8° |
| NA2 | C2 | N3 | 117.5° | 121.9° |
| C2 | NA2 | HN21 | 111.2° | 118.2° |
| C2 | NA2 | HN22 | 124.4° | 118.1° |
| C2 | N3 | C4 | 121.6° | 119.5° |
| HN21 | NA2 | HN22 | 124.4° | 123.6° |
| N3 | C4 | O4 | 117.9° | 122.6° |
| N3 | C4 | C4A | 120.3° | 118.9° |
| O4 | C4 | C4A | 121.7° | 118.5° |
| C4 | C4A | C5 | 122.6° | 121.2° |
| C4 | C4A | C8A | 116.4° | 118.2° |
| C5 | C4A | C8A | 120.9° | 120.7° |
| C4A | C5 | C6 | 121.0° | 119.2° |
| C4A | C5 | H5 | 119.5° | 120.9° |
| C4A | C8A | C8 | 117.5° | 119.3° |
| C6 | C5 | H5 | 119.5° | 119.9° |
| C5 | C6 | C7 | 117.8° | 120.8° |
| C5 | C6 | C9 | 122.8° | 119.6° |
| C7 | C6 | C9 | 119.1° | 119.5° |
| C6 | C7 | C8 | 120.2° | 119.8° |
| C6 | C7 | H7 | 119.9° | 120.8° |
| C6 | C9 | N10 | 119.5° | 112.0° |
| C6 | C9 | H91 | 106.3° | 110.6° |
| C6 | C9 | H92 | 103.9° | 111.0° |
| C8 | C7 | H7 | 119.9° | 119.4° |
| C7 | C8 | C8A | 122.5° | 120.2° |
| C7 | C8 | H8 | 118.7° | 119.3° |
| C8A | C8 | H8 | 118.7° | 120.5° |
| N10 | C9 | H91 | 106.3° | 107.9° |
| N10 | C9 | H92 | 103.9° | 107.8° |
| C9 | N10 | CP1 | 113.5° | 119.1° |
| C9 | N10 | C14 | 124.1° | 120.4° |
| H91 | C9 | H92 | 117.7° | 107.3° |
| CP1 | N10 | C14 | 120.5° | 120.4° |
| N10 | CP1 | CP2 | 107.4° | 110.7° |
| N10 | CP1 | HP11 | 110.2° | 109.1° |
| N10 | CP1 | HP12 | 110.6° | 109.2° |
| N10 | C14 | C13 | 58.2° | 120.0° |
| N10 | C14 | C15 | 59.7° | 120.0° |
| CP2 | CP1 | HP11 | 110.2° | 110.3° |
| CP2 | CP1 | HP12 | 110.6° | 110.1° |
| CP1 | CP2 | CP3 | 175.4° | 179.8° |
| HP11 | CP1 | HP12 | 107.9° | 107.4° |
| CP2 | CP3 | HP3 | 180.0° | 179.9° |
| C12 | C11 | C16 | 116.6° | 122.3° |
| C12 | C11 | C | 57.6° | 118.9° |
| C11 | C12 | C13 | 121.0° | 118.9° |
| C11 | C12 | H12 | 119.5° | 121.7° |
| C16 | C11 | C | 59.0° | 118.9° |
| C11 | C16 | C15 | 121.9° | 118.9° |
| C11 | C16 | H16 | 119.1° | 121.8° |
| C11 | C | O | 121.4° | 119.2° |
| C11 | C | NP1 | 117.7° | 116.0° |
| C13 | C12 | H12 | 119.5° | 119.4° |
| C12 | C13 | C14 | 122.3° | 120.0° |
| C12 | C13 | H13 | 118.8° | 119.5° |
| C14 | C13 | H13 | 118.9° | 120.5° |
| C13 | C14 | C15 | 117.8° | 120.0° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C14 | C15 | H15 | 119.8° | 120.5° |
| C16 | C15 | H15 | 119.8° | 119.4° |
| C15 | C16 | H16 | 119.0° | 119.4° |
| O | C | NP1 | 120.6° | 124.8° |
| C | NP1 | CA1 | 126.5° | 122.6° |
| C | NP1 | HNP1 | 116.7° | 120.1° |
| CA1 | NP1 | HNP1 | 116.7° | 117.2° |
| NP1 | CA1 | CB1 | 110.6° | 112.4° |
| NP1 | CA1 | CT1 | 111.9° | 106.5° |
| NP1 | CA1 | HA1 | 106.9° | 106.0° |
| CB1 | CA1 | CT1 | 109.1° | 110.3° |
| CB1 | CA1 | HA1 | 109.8° | 112.2° |
| CA1 | CB1 | CG1 | 116.5° | 113.4° |
| CA1 | CB1 | HB11 | 107.2° | 109.3° |
| CA1 | CB1 | HB12 | 105.6° | 109.8° |
| CT1 | CA1 | HA1 | 108.5° | 109.2° |
| CA1 | CT1 | O11 | 118.9° | 125.2° |
| CA1 | CT1 | O21 | 120.7° | 111.9° |
| CG1 | CB1 | HB11 | 107.2° | 108.4° |
| CG1 | CB1 | HB12 | 105.6° | 109.5° |
| CB1 | CG1 | CD1 | 111.2° | 113.6° |
| CB1 | CG1 | HG11 | 108.9° | 110.7° |
| CB1 | CG1 | HG12 | 108.5° | 108.7° |
| HB11 | CB1 | HB12 | 115.2° | 106.2° |
| CD1 | CG1 | HG11 | 108.9° | 109.4° |
| CD1 | CG1 | HG12 | 108.5° | 106.9° |
| CG1 | CD1 | OE1 | 119.3° | 123.3° |
| CG1 | CD1 | NP2 | 110.8° | 111.6° |
| HG11 | CG1 | HG12 | 110.9° | 107.3° |
| OE1 | CD1 | NP2 | 121.7° | 125.0° |
| CD1 | NP2 | CA2 | 123.8° | 122.7° |
| CD1 | NP2 | HNP2 | 118.1° | 118.6° |
| O11 | CT1 | O21 | 120.3° | 122.8° |
| CT1 | O21 | HO21 | 109.5° | 115.3° |
| CA2 | NP2 | HNP2 | 118.1° | 118.7° |
| NP2 | CA2 | CB2 | 108.0° | 112.4° |
| NP2 | CA2 | CT2 | 116.5° | 106.5° |
| NP2 | CA2 | HA2 | 105.8° | 106.0° |
| CB2 | CA2 | CT2 | 109.6° | 110.3° |
| CB2 | CA2 | HA2 | 113.1° | 112.2° |
| CA2 | CB2 | CG2 | 119.3° | 113.4° |
| CA2 | CB2 | HB21 | 106.3° | 109.3° |
| CA2 | CB2 | HB22 | 104.0° | 109.8° |
| CT2 | CA2 | HA2 | 103.9° | 109.1° |
| CA2 | CT2 | O12 | 118.2° | 125.2° |
| CA2 | CT2 | O22 | 117.5° | 111.9° |
| CG2 | CB2 | HB21 | 106.3° | 108.3° |
| CG2 | CB2 | HB22 | 104.0° | 109.6° |
| CB2 | CG2 | CD2 | 116.9° | 113.6° |
| CB2 | CG2 | HG21 | 107.1° | 110.7° |
| CB2 | CG2 | HG22 | 105.3° | 108.7° |
| HB21 | CB2 | HB22 | 117.6° | 106.1° |
| CD2 | CG2 | HG21 | 107.1° | 109.3° |
| CD2 | CG2 | HG22 | 105.3° | 106.9° |
| CG2 | CD2 | OE2 | 121.9° | 123.3° |
| CG2 | CD2 | NP3 | 114.5° | 111.6° |
| HG21 | CG2 | HG22 | 115.5° | 107.3° |
| OE2 | CD2 | NP3 | 121.5° | 125.1° |
| CD2 | NP3 | CA3 | 125.5° | 122.7° |
| CD2 | NP3 | HNP3 | 117.3° | 118.7° |
| O12 | CT2 | O22 | 124.3° | 122.8° |
| CT2 | O22 | HO22 | 109.5° | 115.3° |
| CA3 | NP3 | HNP3 | 117.2° | 118.7° |
| NP3 | CA3 | CB3 | 104.7° | 112.5° |
| NP3 | CA3 | CT3 | 109.1° | 106.6° |
| NP3 | CA3 | HA3 | 114.7° | 106.0° |
| CB3 | CA3 | CT3 | 114.6° | 110.2° |
| CB3 | CA3 | HA3 | 109.3° | 112.2° |
| CA3 | CB3 | CG3 | 117.4° | 113.4° |
| CA3 | CB3 | HB31 | 106.9° | 109.3° |
| CA3 | CB3 | HB32 | 105.1° | 109.8° |
| CT3 | CA3 | HA3 | 104.8° | 109.2° |
| CA3 | CT3 | O13 | 117.8° | 125.2° |
| CA3 | CT3 | O23 | 121.2° | 111.9° |
| CG3 | CB3 | HB31 | 106.9° | 108.4° |
| CG3 | CB3 | HB32 | 105.1° | 109.6° |
| CB3 | CG3 | CD3 | 112.1° | 113.6° |
| CB3 | CG3 | HG31 | 108.6° | 110.7° |
| CB3 | CG3 | HG32 | 108.0° | 108.7° |
| HB31 | CB3 | HB32 | 115.9° | 106.1° |
| CD3 | CG3 | HG31 | 108.6° | 109.4° |
| CD3 | CG3 | HG32 | 108.0° | 106.8° |
| CG3 | CD3 | OE3 | 122.3° | 123.3° |
| CG3 | CD3 | NP4 | 110.1° | 111.6° |
| HG31 | CG3 | HG32 | 111.5° | 107.3° |
| OE3 | CD3 | NP4 | 121.8° | 125.1° |
| CD3 | NP4 | CA4 | 67.9° | 122.6° |
| CD3 | NP4 | HNP4 | 146.1° | 118.7° |
| O13 | CT3 | O23 | 120.6° | 122.8° |
| CT3 | O23 | HO23 | 109.5° | 115.3° |
| CA4 | NP4 | HNP4 | 146.0° | 118.7° |
| NP4 | CA4 | CB4 | 90.0° | 112.1° |
| NP4 | CA4 | CT4 | 90.0° | 108.1° |
| NP4 | CA4 | HA4 | 90.0° | 107.2° |
| CB4 | CA4 | CT4 | 90.0° | 112.2° |
| CB4 | CA4 | HA4 | 90.0° | 109.2° |
| CA4 | CB4 | CG4 | 90.0° | 116.2° |
| CA4 | CB4 | HB41 | 90.0° | 108.9° |
| CA4 | CB4 | HB42 | 90.0° | 108.3° |
| CT4 | CA4 | HA4 | 90.0° | 107.8° |
| CA4 | CT4 | O14 | 90.0° | 125.4° |
| CA4 | CT4 | O24 | 90.0° | 112.0° |
| CG4 | CB4 | HB41 | 90.0° | 109.8° |
| CG4 | CB4 | HB42 | 90.0° | 107.3° |
| CB4 | CG4 | CD4 | 90.0° | 113.9° |
| CB4 | CG4 | HG41 | 90.0° | 111.3° |
| CB4 | CG4 | HG42 | 90.0° | 109.8° |
| HB41 | CB4 | HB42 | 90.0° | 106.0° |
| CD4 | CG4 | HG41 | 90.0° | 108.5° |
| CD4 | CG4 | HG42 | 90.0° | 107.3° |
| CG4 | CD4 | OE4 | 90.0° | 123.9° |
| CG4 | CD4 | OE | 90.0° | 112.7° |
| HG41 | CG4 | HG42 | 90.0° | 105.7° |
| OE4 | CD4 | OE | 90.0° | 123.4° |
| CD4 | OE | HOE | 90.0° | 115.1° |
| O14 | CT4 | O24 | 90.0° | 122.6° |
| CT4 | O24 | HO24 | 90.0° | 115.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C8A | HN1 | 180.0° | 179.8° |
| N1 | C2 | NA2 | N3 | 179.9° | 179.9° |
| N1 | C2 | NA2 | HN21 | 180.0° | 34.2° |
| N1 | C2 | NA2 | HN22 | 0.0° | 145.7° |
| N1 | C2 | N3 | C4 | 2.9° | 0.0° |
| C2 | N1 | C8A | C4A | 0.1° | 0.1° |
| C2 | N1 | C8A | C8 | 177.4° | 180.0° |
| C8A | N1 | C2 | NA2 | 179.3° | 179.9° |
| C8A | N1 | C2 | N3 | 0.6° | 0.0° |
| N1 | C8A | C4A | C4 | 4.1° | 0.1° |
| N1 | C8A | C4A | C5 | 175.3° | 180.0° |
| N1 | C8A | C4A | C8 | 177.4° | 179.9° |
| N1 | C8A | C8 | C7 | 175.7° | 180.0° |
| N1 | C8A | C8 | H8 | 4.3° | 0.0° |
| HN1 | N1 | C2 | NA2 | 0.7° | 0.1° |
| HN1 | N1 | C2 | N3 | 179.3° | 179.8° |
| HN1 | N1 | C8A | C4A | 179.9° | 179.9° |
| HN1 | N1 | C8A | C8 | 2.7° | 0.2° |
| C2 | NA2 | HN21 | HN22 | 180.0° | 179.9° |
| NA2 | C2 | N3 | C4 | 177.1° | 179.9° |
| N3 | C2 | NA2 | HN21 | 0.1° | 145.7° |
| N3 | C2 | NA2 | HN22 | 180.0° | 34.4° |
| C2 | N3 | C4 | O4 | 170.8° | 180.0° |
| C2 | N3 | C4 | C4A | 7.2° | 0.0° |
| N3 | C4 | O4 | C4A | 177.9° | 180.0° |
| N3 | C4 | C4A | C5 | 171.9° | 180.0° |
| N3 | C4 | C4A | C8A | 7.5° | 0.1° |
| O4 | C4 | C4A | C5 | 10.3° | 0.0° |
| O4 | C4 | C4A | C8A | 170.4° | 180.0° |
| C4 | C4A | C5 | C8A | 179.3° | 180.0° |
| C4 | C4A | C5 | C6 | 179.6° | 179.9° |
| C4 | C4A | C5 | H5 | 0.5° | 0.0° |
| C4 | C4A | C8A | C8 | 178.6° | 180.0° |
| C4A | C5 | C6 | H5 | 180.0° | 180.0° |
| C4A | C5 | C6 | C7 | 0.3° | 0.1° |
| C4A | C5 | C6 | C9 | 172.7° | 180.0° |
| C5 | C4A | C8A | C8 | 2.0° | 0.0° |
| C8A | C4A | C5 | C6 | 1.1° | 0.0° |
| C8A | C4A | C5 | H5 | 178.9° | 180.0° |
| C4A | C8A | C8 | C7 | 1.7° | 0.0° |
| C4A | C8A | C8 | H8 | 178.3° | 180.0° |
| C5 | C6 | C7 | C9 | 173.3° | 180.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.1° |
| C5 | C6 | C7 | H7 | 179.2° | 180.0° |
| C5 | C6 | C9 | N10 | 23.4° | 90.0° |
| C5 | C6 | C9 | H91 | 143.5° | 149.6° |
| C5 | C6 | C9 | H92 | 91.7° | 30.6° |
| H5 | C5 | C6 | C7 | 179.7° | 180.0° |
| H5 | C5 | C6 | C9 | 7.3° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C8A | 0.3° | 0.0° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C6 | C9 | N10 | 149.5° | 89.9° |
| C7 | C6 | C9 | H91 | 29.5° | 30.5° |
| C7 | C6 | C9 | H92 | 95.4° | 149.5° |
| C9 | C6 | C7 | C8 | 172.5° | 180.0° |
| C9 | C6 | C7 | H7 | 7.5° | 0.0° |
| C6 | C9 | N10 | H91 | 120.0° | 122.0° |
| C6 | C9 | N10 | H92 | 115.2° | 122.4° |
| C6 | C9 | H91 | H92 | 115.9° | 121.2° |
| C6 | C9 | N10 | CP1 | 121.8° | 98.6° |
| C6 | C9 | N10 | C14 | 42.4° | 82.0° |
| C7 | C8 | C8A | H8 | 180.0° | 180.0° |
| H7 | C7 | C8 | C8A | 179.8° | 180.0° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
| N10 | C9 | H91 | H92 | 115.9° | 115.9° |
| C9 | N10 | CP1 | C14 | 164.8° | 179.4° |
| C9 | N10 | CP1 | CP2 | 94.0° | 99.1° |
| C9 | N10 | CP1 | HP11 | 146.0° | 139.4° |
| C9 | N10 | CP1 | HP12 | 26.9° | 22.3° |
| C9 | N10 | C14 | C13 | 31.6° | 179.4° |
| C9 | N10 | C14 | C15 | 149.7° | 0.5° |
| H91 | C9 | N10 | CP1 | 118.1° | 139.4° |
| H91 | C9 | N10 | C14 | 77.7° | 40.0° |
| H92 | C9 | N10 | CP1 | 6.7° | 23.8° |
| H92 | C9 | N10 | C14 | 157.5° | 155.6° |
| N10 | CP1 | CP2 | HP11 | 120.0° | 120.8° |
| N10 | CP1 | CP2 | HP12 | 120.8° | 120.9° |
| N10 | CP1 | HP11 | HP12 | 120.8° | 118.3° |
| N10 | CP1 | CP2 | CP3 | 128.1° | 168.5° |
| CP1 | N10 | C14 | C13 | 165.2° | 0.0° |
| CP1 | N10 | C14 | C15 | 13.5° | 180.0° |
| C14 | N10 | CP1 | CP2 | 70.9° | 81.5° |
| C14 | N10 | CP1 | HP11 | 49.1° | 40.0° |
| C14 | N10 | CP1 | HP12 | 168.3° | 157.1° |
| N10 | C14 | C13 | C12 | 2.7° | 180.0° |
| N10 | C14 | C13 | C15 | 1.2° | 179.9° |
| N10 | C14 | C13 | H13 | 177.3° | 0.1° |
| N10 | C14 | C15 | C16 | 2.2° | 180.0° |
| N10 | C14 | C15 | H15 | 177.8° | 0.2° |
| CP2 | CP1 | HP11 | HP12 | 120.9° | 119.9° |
| CP1 | CP2 | CP3 | HP3 | 31.0° | 148.8° |
| HP11 | CP1 | CP2 | CP3 | 112.0° | 70.7° |
| HP12 | CP1 | CP2 | CP3 | 7.2° | 47.6° |
| C12 | C11 | C16 | C | 2.4° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.4° | 0.1° |
| C11 | C12 | C13 | H13 | 178.6° | 180.0° |
| C12 | C11 | C16 | C15 | 0.4° | 0.0° |
| C12 | C11 | C16 | H16 | 179.7° | 180.0° |
| C12 | C11 | C | O | 2.4° | 26.0° |
| C12 | C11 | C | NP1 | 170.8° | 152.9° |
| C16 | C11 | C12 | C13 | 0.8° | 0.1° |
| C16 | C11 | C12 | H12 | 179.2° | 180.0° |
| C11 | C16 | C15 | C14 | 0.5° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | H15 | 179.6° | 179.9° |
| C16 | C11 | C | O | 175.1° | 154.1° |
| C16 | C11 | C | NP1 | 11.7° | 27.0° |
| C | C11 | C12 | C13 | 3.2° | 180.0° |
| C | C11 | C12 | H12 | 176.8° | 0.1° |
| C | C11 | C16 | C15 | 2.7° | 179.9° |
| C | C11 | C16 | H16 | 177.3° | 0.1° |
| C11 | C | O | NP1 | 173.1° | 178.8° |
| C11 | C | NP1 | CA1 | 167.2° | 178.9° |
| C11 | C | NP1 | HNP1 | 12.8° | 3.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.5° | 0.0° |
| H12 | C12 | C13 | C14 | 178.6° | 180.0° |
| H12 | C12 | C13 | H13 | 1.4° | 0.0° |
| C13 | C14 | C15 | C16 | 1.0° | 0.0° |
| C13 | C14 | C15 | H15 | 179.0° | 179.9° |
| H13 | C13 | C14 | C15 | 178.5° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 179.5° | 180.0° |
| H15 | C15 | C16 | H16 | 0.4° | 0.1° |
| O | C | NP1 | CA1 | 6.1° | 0.0° |
| O | C | NP1 | HNP1 | 173.9° | 175.8° |
| C | NP1 | CA1 | HNP1 | 180.0° | 175.9° |
| C | NP1 | CA1 | CB1 | 67.7° | 152.9° |
| C | NP1 | CA1 | CT1 | 170.4° | 86.2° |
| C | NP1 | CA1 | HA1 | 51.8° | 30.0° |
| NP1 | CA1 | CB1 | CT1 | 123.5° | 118.7° |
| NP1 | CA1 | CB1 | HA1 | 117.7° | 119.4° |
| NP1 | CA1 | CT1 | HA1 | 117.7° | 114.0° |
| NP1 | CA1 | CB1 | CG1 | 54.4° | 62.3° |
| NP1 | CA1 | CB1 | HB11 | 174.4° | 58.7° |
| NP1 | CA1 | CB1 | HB12 | 62.3° | 174.8° |
| NP1 | CA1 | CT1 | O11 | 163.3° | 36.0° |
| NP1 | CA1 | CT1 | O21 | 16.5° | 146.4° |
| HNP1 | NP1 | CA1 | CB1 | 112.3° | 23.0° |
| HNP1 | NP1 | CA1 | CT1 | 9.6° | 97.9° |
| HNP1 | NP1 | CA1 | HA1 | 128.2° | 145.9° |
| CB1 | CA1 | CT1 | HA1 | 119.6° | 123.7° |
| CA1 | CB1 | CG1 | HB11 | 120.0° | 121.6° |
| CA1 | CB1 | CG1 | HB12 | 116.8° | 123.0° |
| CA1 | CB1 | HB11 | HB12 | 117.1° | 118.3° |
| CA1 | CB1 | CG1 | CD1 | 164.3° | 178.4° |
| CA1 | CB1 | CG1 | HG11 | 44.4° | 54.9° |
| CA1 | CB1 | CG1 | HG12 | 76.4° | 62.7° |
| CB1 | CA1 | CT1 | O11 | 73.9° | 86.3° |
| CB1 | CA1 | CT1 | O21 | 106.3° | 91.3° |
| CT1 | CA1 | CB1 | CG1 | 69.1° | 179.0° |
| CT1 | CA1 | CB1 | HB11 | 50.9° | 60.0° |
| CT1 | CA1 | CB1 | HB12 | 174.2° | 56.1° |
| CA1 | CT1 | O11 | O21 | 179.8° | 177.4° |
| CA1 | CT1 | O21 | HO21 | 179.8° | 177.7° |
| HA1 | CA1 | CB1 | CG1 | 172.1° | 57.1° |
| HA1 | CA1 | CB1 | HB11 | 67.9° | 178.1° |
| HA1 | CA1 | CB1 | HB12 | 55.4° | 65.8° |
| HA1 | CA1 | CT1 | O11 | 45.6° | 150.0° |
| HA1 | CA1 | CT1 | O21 | 134.2° | 32.3° |
| CG1 | CB1 | HB11 | HB12 | 117.1° | 117.6° |
| CB1 | CG1 | CD1 | HG11 | 120.0° | 124.2° |
| CB1 | CG1 | CD1 | HG12 | 119.2° | 119.9° |
| CB1 | CG1 | HG11 | HG12 | 119.3° | 118.4° |
| CB1 | CG1 | CD1 | OE1 | 86.2° | 1.2° |
| CB1 | CG1 | CD1 | NP2 | 124.8° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 75.7° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 164.3° | 176.5° |
| HB11 | CB1 | CG1 | HG12 | 43.6° | 58.9° |
| HB12 | CB1 | CG1 | CD1 | 47.6° | 55.5° |
| HB12 | CB1 | CG1 | HG11 | 72.4° | 68.1° |
| HB12 | CB1 | CG1 | HG12 | 166.8° | 174.3° |
| CD1 | CG1 | HG11 | HG12 | 119.3° | 115.6° |
| CG1 | CD1 | OE1 | NP2 | 145.5° | 178.6° |
| CG1 | CD1 | NP2 | CA2 | 151.1° | 178.8° |
| CG1 | CD1 | NP2 | HNP2 | 28.9° | 1.3° |
| HG11 | CG1 | CD1 | OE1 | 33.8° | 125.5° |
| HG11 | CG1 | CD1 | NP2 | 115.2° | 55.8° |
| HG12 | CG1 | CD1 | OE1 | 154.6° | 118.6° |
| HG12 | CG1 | CD1 | NP2 | 5.5° | 60.1° |
| OE1 | CD1 | NP2 | CA2 | 60.7° | 0.1° |
| OE1 | CD1 | NP2 | HNP2 | 119.3° | 180.0° |
| CD1 | NP2 | CA2 | HNP2 | 180.0° | 179.9° |
| CD1 | NP2 | CA2 | CB2 | 144.2° | 92.9° |
| CD1 | NP2 | CA2 | CT2 | 20.4° | 146.2° |
| CD1 | NP2 | CA2 | HA2 | 94.5° | 30.1° |
| O11 | CT1 | O21 | HO21 | 0.0° | 0.0° |
| NP2 | CA2 | CB2 | CT2 | 127.8° | 118.7° |
| NP2 | CA2 | CB2 | HA2 | 116.7° | 119.5° |
| NP2 | CA2 | CT2 | HA2 | 115.9° | 114.1° |
| NP2 | CA2 | CB2 | CG2 | 169.7° | 57.7° |
| NP2 | CA2 | CB2 | HB21 | 49.6° | 178.7° |
| NP2 | CA2 | CB2 | HB22 | 75.1° | 65.3° |
| NP2 | CA2 | CT2 | O12 | 51.5° | 36.0° |
| NP2 | CA2 | CT2 | O22 | 129.9° | 146.4° |
| HNP2 | NP2 | CA2 | CB2 | 35.8° | 87.0° |
| HNP2 | NP2 | CA2 | CT2 | 159.6° | 33.8° |
| HNP2 | NP2 | CA2 | HA2 | 85.5° | 150.0° |
| CB2 | CA2 | CT2 | HA2 | 121.2° | 123.7° |
| CA2 | CB2 | CG2 | HB21 | 120.0° | 121.6° |
| CA2 | CB2 | CG2 | HB22 | 115.3° | 123.1° |
| CA2 | CB2 | HB21 | HB22 | 115.9° | 118.3° |
| CA2 | CB2 | CG2 | CD2 | 174.9° | 178.4° |
| CA2 | CB2 | CG2 | HG21 | 65.1° | 54.9° |
| CA2 | CB2 | CG2 | HG22 | 58.4° | 62.7° |
| CB2 | CA2 | CT2 | O12 | 71.4° | 86.3° |
| CB2 | CA2 | CT2 | O22 | 107.2° | 91.4° |
| CT2 | CA2 | CB2 | CG2 | 62.5° | 61.0° |
| CT2 | CA2 | CB2 | HB21 | 177.5° | 60.0° |
| CT2 | CA2 | CB2 | HB22 | 52.7° | 176.1° |
| CA2 | CT2 | O12 | O22 | 178.5° | 177.4° |
| CA2 | CT2 | O22 | HO22 | 178.5° | 177.7° |
| HA2 | CA2 | CB2 | CG2 | 53.0° | 177.1° |
| HA2 | CA2 | CB2 | HB21 | 67.0° | 61.9° |
| HA2 | CA2 | CB2 | HB22 | 168.2° | 54.2° |
| HA2 | CA2 | CT2 | O12 | 167.4° | 150.1° |
| HA2 | CA2 | CT2 | O22 | 14.0° | 32.3° |
| CG2 | CB2 | HB21 | HB22 | 116.0° | 117.6° |
| CB2 | CG2 | CD2 | HG21 | 120.0° | 124.2° |
| CB2 | CG2 | CD2 | HG22 | 116.5° | 119.9° |
| CB2 | CG2 | HG21 | HG22 | 117.0° | 118.5° |
| CB2 | CG2 | CD2 | OE2 | 38.1° | 1.2° |
| CB2 | CG2 | CD2 | NP3 | 125.2° | 180.0° |
| HB21 | CB2 | CG2 | CD2 | 54.9° | 60.0° |
| HB21 | CB2 | CG2 | HG21 | 175.0° | 176.5° |
| HB21 | CB2 | CG2 | HG22 | 61.6° | 58.8° |
| HB22 | CB2 | CG2 | CD2 | 69.8° | 55.4° |
| HB22 | CB2 | CG2 | HG21 | 50.2° | 68.1° |
| HB22 | CB2 | CG2 | HG22 | 173.7° | 174.2° |
| CD2 | CG2 | HG21 | HG22 | 116.9° | 115.5° |
| CG2 | CD2 | OE2 | NP3 | 162.1° | 178.6° |
| CG2 | CD2 | NP3 | CA3 | 168.8° | 178.7° |
| CG2 | CD2 | NP3 | HNP3 | 11.2° | 1.2° |
| HG21 | CG2 | CD2 | OE2 | 82.0° | 125.5° |
| HG21 | CG2 | CD2 | NP3 | 114.7° | 55.7° |
| HG22 | CG2 | CD2 | OE2 | 154.6° | 118.7° |
| HG22 | CG2 | CD2 | NP3 | 8.7° | 60.1° |
| OE2 | CD2 | NP3 | CA3 | 5.4° | 0.0° |
| OE2 | CD2 | NP3 | HNP3 | 174.6° | 179.9° |
| CD2 | NP3 | CA3 | HNP3 | 180.0° | 179.9° |
| CD2 | NP3 | CA3 | CB3 | 88.5° | 152.9° |
| CD2 | NP3 | CA3 | CT3 | 148.4° | 86.2° |
| CD2 | NP3 | CA3 | HA3 | 31.2° | 30.0° |
| O12 | CT2 | O22 | HO22 | 0.0° | 0.0° |
| NP3 | CA3 | CB3 | CT3 | 119.4° | 118.8° |
| NP3 | CA3 | CB3 | HA3 | 123.3° | 119.4° |
| NP3 | CA3 | CT3 | HA3 | 123.3° | 114.1° |
| NP3 | CA3 | CB3 | CG3 | 152.9° | 62.2° |
| NP3 | CA3 | CB3 | HB31 | 87.1° | 58.8° |
| NP3 | CA3 | CB3 | HB32 | 36.6° | 174.8° |
| NP3 | CA3 | CT3 | O13 | 4.5° | 35.9° |
| NP3 | CA3 | CT3 | O23 | 167.6° | 146.4° |
| HNP3 | NP3 | CA3 | CB3 | 91.5° | 27.2° |
| HNP3 | NP3 | CA3 | CT3 | 31.6° | 93.7° |
| HNP3 | NP3 | CA3 | HA3 | 148.8° | 150.1° |
| CB3 | CA3 | CT3 | HA3 | 119.7° | 123.6° |
| CA3 | CB3 | CG3 | HB31 | 120.0° | 121.5° |
| CA3 | CB3 | CG3 | HB32 | 116.3° | 123.1° |
| CA3 | CB3 | HB31 | HB32 | 116.7° | 118.3° |
| CA3 | CB3 | CG3 | CD3 | 158.1° | 58.5° |
| CA3 | CB3 | CG3 | HG31 | 38.1° | 65.0° |
| CA3 | CB3 | CG3 | HG32 | 83.0° | 177.3° |
| CB3 | CA3 | CT3 | O13 | 112.4° | 86.4° |
| CB3 | CA3 | CT3 | O23 | 75.5° | 91.3° |
| CT3 | CA3 | CB3 | CG3 | 33.5° | 179.0° |
| CT3 | CA3 | CB3 | HB31 | 153.5° | 60.0° |
| CT3 | CA3 | CB3 | HB32 | 82.8° | 56.0° |
| CA3 | CT3 | O13 | O23 | 172.1° | 177.5° |
| CA3 | CT3 | O23 | HO23 | 171.9° | 177.7° |
| HA3 | CA3 | CB3 | CG3 | 83.8° | 57.1° |
| HA3 | CA3 | CB3 | HB31 | 36.3° | 178.1° |
| HA3 | CA3 | CB3 | HB32 | 159.9° | 65.9° |
| HA3 | CA3 | CT3 | O13 | 127.8° | 150.0° |
| HA3 | CA3 | CT3 | O23 | 44.3° | 32.3° |
| CG3 | CB3 | HB31 | HB32 | 116.8° | 117.6° |
| CB3 | CG3 | CD3 | HG31 | 120.0° | 124.2° |
| CB3 | CG3 | CD3 | HG32 | 118.9° | 119.9° |
| CB3 | CG3 | HG31 | HG32 | 118.9° | 118.5° |
| CB3 | CG3 | CD3 | OE3 | 80.4° | 1.2° |
| CB3 | CG3 | CD3 | NP4 | 73.4° | 180.0° |
| HB31 | CB3 | CG3 | CD3 | 81.9° | 179.9° |
| HB31 | CB3 | CG3 | HG31 | 158.1° | 56.5° |
| HB31 | CB3 | CG3 | HG32 | 37.0° | 61.2° |
| HB32 | CB3 | CG3 | CD3 | 41.8° | 64.6° |
| HB32 | CB3 | CG3 | HG31 | 78.2° | 171.9° |
| HB32 | CB3 | CG3 | HG32 | 160.7° | 54.2° |
| CD3 | CG3 | HG31 | HG32 | 118.9° | 115.6° |
| CG3 | CD3 | OE3 | NP4 | 150.8° | 178.7° |
| CG3 | CD3 | NP4 | CA4 | 103.7° | 178.8° |
| CG3 | CD3 | NP4 | HNP4 | 76.3° | 1.2° |
| HG31 | CG3 | CD3 | OE3 | 39.6° | 125.4° |
| HG31 | CG3 | CD3 | NP4 | 166.6° | 55.7° |
| HG32 | CG3 | CD3 | OE3 | 160.7° | 118.7° |
| HG32 | CG3 | CD3 | NP4 | 45.5° | 60.2° |
| OE3 | CD3 | NP4 | CA4 | 50.3° | 0.1° |
| OE3 | CD3 | NP4 | HNP4 | 129.8° | 180.0° |
| CD3 | NP4 | CA4 | HNP4 | 180.0° | 179.9° |
| CD3 | NP4 | CA4 | CB4 | 90.0° | 89.8° |
| CD3 | NP4 | CA4 | CT4 | 90.0° | 146.0° |
| CD3 | NP4 | CA4 | HA4 | 90.0° | 30.1° |
| O13 | CT3 | O23 | HO23 | 0.0° | 0.0° |
| NP4 | CA4 | CB4 | CT4 | 90.0° | 121.9° |
| NP4 | CA4 | CB4 | HA4 | 90.0° | 118.7° |
| NP4 | CA4 | CT4 | HA4 | 90.0° | 115.5° |
| NP4 | CA4 | CB4 | CG4 | 90.0° | 57.4° |
| NP4 | CA4 | CB4 | HB41 | 90.0° | 178.2° |
| NP4 | CA4 | CB4 | HB42 | 90.0° | 63.4° |
| NP4 | CA4 | CT4 | O14 | 90.0° | 175.5° |
| NP4 | CA4 | CT4 | O24 | 90.0° | 4.6° |
| HNP4 | NP4 | CA4 | CB4 | 90.0° | 90.1° |
| HNP4 | NP4 | CA4 | CT4 | 90.0° | 34.1° |
| HNP4 | NP4 | CA4 | HA4 | 90.0° | 150.0° |
| CB4 | CA4 | CT4 | HA4 | 90.0° | 120.3° |
| CA4 | CB4 | CG4 | HB41 | 90.0° | 124.0° |
| CA4 | CB4 | CG4 | HB42 | 90.0° | 121.3° |
| CA4 | CB4 | HB41 | HB42 | 90.0° | 116.2° |
| CA4 | CB4 | CG4 | CD4 | 90.0° | 176.0° |
| CA4 | CB4 | CG4 | HG41 | 90.0° | 61.0° |
| CA4 | CB4 | CG4 | HG42 | 90.0° | 55.6° |
| CB4 | CA4 | CT4 | O14 | 90.0° | 60.3° |
| CB4 | CA4 | CT4 | O24 | 90.0° | 119.6° |
| CT4 | CA4 | CB4 | CG4 | 90.0° | 64.5° |
| CT4 | CA4 | CB4 | HB41 | 90.0° | 60.0° |
| CT4 | CA4 | CB4 | HB42 | 90.0° | 174.7° |
| CA4 | CT4 | O14 | O24 | 90.0° | 179.9° |
| CA4 | CT4 | O24 | HO24 | 90.0° | 179.9° |
| HA4 | CA4 | CB4 | CG4 | 90.0° | 176.0° |
| HA4 | CA4 | CB4 | HB41 | 90.0° | 59.5° |
| HA4 | CA4 | CB4 | HB42 | 90.0° | 55.3° |
| HA4 | CA4 | CT4 | O14 | 90.0° | 60.0° |
| HA4 | CA4 | CT4 | O24 | 90.0° | 120.1° |
| CG4 | CB4 | HB41 | HB42 | 90.0° | 115.6° |
| CB4 | CG4 | CD4 | HG41 | 90.0° | 124.6° |
| CB4 | CG4 | CD4 | HG42 | 90.0° | 121.7° |
| CB4 | CG4 | HG41 | HG42 | 90.0° | 119.1° |
| CB4 | CG4 | CD4 | OE4 | 90.0° | 4.5° |
| CB4 | CG4 | CD4 | OE | 90.0° | 176.0° |
| HB41 | CB4 | CG4 | CD4 | 90.0° | 60.0° |
| HB41 | CB4 | CG4 | HG41 | 90.0° | 63.0° |
| HB41 | CB4 | CG4 | HG42 | 90.0° | 179.6° |
| HB42 | CB4 | CG4 | CD4 | 90.0° | 54.7° |
| HB42 | CB4 | CG4 | HG41 | 90.0° | 177.7° |
| HB42 | CB4 | CG4 | HG42 | 90.0° | 65.6° |
| CD4 | CG4 | HG41 | HG42 | 90.0° | 114.8° |
| CG4 | CD4 | OE4 | OE | 90.0° | 179.4° |
| CG4 | CD4 | OE | HOE | 90.0° | 179.3° |
| HG41 | CG4 | CD4 | OE4 | 90.0° | 120.0° |
| HG41 | CG4 | CD4 | OE | 90.0° | 59.4° |
| HG42 | CG4 | CD4 | OE4 | 90.0° | 126.3° |
| HG42 | CG4 | CD4 | OE | 90.0° | 54.3° |
| OE4 | CD4 | OE | HOE | 90.0° | 0.1° |
| O14 | CT4 | O24 | HO24 | 90.0° | 0.0° |
