S8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.22Å | 1.18Å | |
| C | NG1 | sing | 1.35Å | 1.45Å | |
| C | C11 | sing | 1.48Å | 1.52Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CB1 | CA1 | sing | 1.53Å | 1.53Å | |
| CB2 | CG2 | sing | 1.53Å | 1.53Å | |
| CB2 | CA2 | sing | 1.53Å | 1.53Å | |
| CG1 | CD1 | sing | 1.51Å | 1.53Å | |
| NG1 | CA1 | sing | 1.46Å | 1.45Å | |
| CG2 | CD2 | sing | 1.51Å | 1.53Å | |
| NG2 | CD1 | sing | 1.35Å | 1.45Å | |
| NG2 | CA2 | sing | 1.47Å | 1.45Å | |
| CD1 | OEB | doub | 1.21Å | 1.19Å | |
| CD2 | OEC | doub | 1.21Å | 1.26Å | |
| CD2 | OED | sing | 1.34Å | 1.26Å | |
| C11 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | N10 | sing | 1.39Å | 1.44Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | NA2 | sing | 1.39Å | 1.45Å | |
| C4 | C4A | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.39Å | |
| C4A | C8A | doub | 1.39Å | 1.41Å | Aromatic |
| C4A | N5 | sing | 1.41Å | 1.46Å | |
| C5A | N5 | sing | 1.35Å | 1.45Å | |
| C5A | O5B | doub | 1.21Å | 1.18Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C9 | sing | 1.53Å | 1.58Å | |
| C6 | N5 | sing | 1.47Å | 1.40Å | |
| C7 | N8 | sing | 1.47Å | 1.47Å | |
| C8A | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C8A | N8 | sing | 1.39Å | 1.53Å | |
| C9 | N10 | sing | 1.46Å | 1.45Å | |
| CA1 | CT1 | sing | 1.51Å | 1.52Å | |
| CA2 | CT2 | sing | 1.51Å | 1.53Å | |
| CT1 | O11 | doub | 1.21Å | 1.26Å | |
| CT1 | O21 | sing | 1.34Å | 1.26Å | |
| CT2 | O12 | doub | 1.21Å | 1.26Å | |
| CT2 | O22 | sing | 1.34Å | 1.26Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB2 | HB23 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| NG1 | HG11 | sing | 0.97Å | 1.00Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| NG2 | HG21 | sing | 0.97Å | 1.00Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C5A | H5A1 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| CA1 | HA11 | sing | 1.09Å | 1.10Å | |
| CA2 | HA21 | sing | 1.09Å | 1.10Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N8 | H81 | sing | 0.97Å | 1.00Å | |
| NA2 | HA22 | sing | 0.97Å | 1.00Å | |
| NA2 | HA23 | sing | 0.97Å | 1.00Å | |
| O21 | H1 | sing | 0.97Å | 0.95Å | |
| O22 | H2 | sing | 0.97Å | 0.95Å | |
| O4 | H41 | sing | 0.97Å | 0.95Å | |
| OED | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | NG1 | 121.2° | 120.0° |
| O | C | C11 | 121.7° | 120.0° |
| NG1 | C | C11 | 117.1° | 120.0° |
| C | NG1 | CA1 | 121.4° | 120.0° |
| C | NG1 | HG11 | 119.3° | 120.0° |
| C | C11 | C12 | 118.8° | 120.0° |
| C | C11 | C16 | 120.3° | 120.1° |
| CG1 | CB1 | CA1 | 111.5° | 109.5° |
| CB1 | CG1 | CD1 | 112.7° | 109.5° |
| CG1 | CB1 | HB12 | 109.0° | 109.4° |
| CG1 | CB1 | HB11 | 109.0° | 109.4° |
| CB1 | CG1 | HG13 | 108.7° | 109.5° |
| CB1 | CG1 | HG12 | 108.7° | 109.5° |
| CB1 | CA1 | NG1 | 108.4° | 109.5° |
| CB1 | CA1 | CT1 | 108.9° | 109.5° |
| CA1 | CB1 | HB12 | 109.0° | 109.5° |
| CA1 | CB1 | HB11 | 109.0° | 109.5° |
| CB1 | CA1 | HA11 | 110.5° | 109.4° |
| CG2 | CB2 | CA2 | 112.9° | 109.5° |
| CB2 | CG2 | CD2 | 113.5° | 109.5° |
| CG2 | CB2 | HB23 | 108.6° | 109.5° |
| CG2 | CB2 | HB22 | 108.6° | 109.5° |
| CB2 | CG2 | HG22 | 108.5° | 109.4° |
| CB2 | CG2 | HG23 | 108.5° | 109.5° |
| CB2 | CA2 | NG2 | 110.1° | 109.5° |
| CB2 | CA2 | CT2 | 109.7° | 109.5° |
| CA2 | CB2 | HB23 | 108.6° | 109.5° |
| CA2 | CB2 | HB22 | 108.6° | 109.4° |
| CB2 | CA2 | HA21 | 108.7° | 109.4° |
| CG1 | CD1 | NG2 | 119.8° | 120.0° |
| CG1 | CD1 | OEB | 120.5° | 120.0° |
| CD1 | CG1 | HG13 | 108.7° | 109.5° |
| CD1 | CG1 | HG12 | 108.7° | 109.4° |
| NG1 | CA1 | CT1 | 106.6° | 109.5° |
| CA1 | NG1 | HG11 | 119.3° | 120.0° |
| NG1 | CA1 | HA11 | 111.7° | 109.5° |
| CG2 | CD2 | OEC | 120.7° | 119.9° |
| CG2 | CD2 | OED | 119.8° | 120.1° |
| CD2 | CG2 | HG22 | 108.4° | 109.4° |
| CD2 | CG2 | HG23 | 108.4° | 109.5° |
| CD1 | NG2 | CA2 | 119.1° | 120.0° |
| NG2 | CD1 | OEB | 119.7° | 120.0° |
| CD1 | NG2 | HG21 | 120.5° | 120.0° |
| NG2 | CA2 | CT2 | 109.7° | 109.5° |
| CA2 | NG2 | HG21 | 120.4° | 120.0° |
| NG2 | CA2 | HA21 | 109.8° | 109.5° |
| OEC | CD2 | OED | 119.5° | 120.0° |
| CD2 | OED | H3 | 109.5° | 117.0° |
| C12 | C11 | C16 | 120.9° | 119.9° |
| C11 | C12 | C13 | 119.6° | 119.9° |
| C11 | C12 | H121 | 120.2° | 120.1° |
| C11 | C16 | C15 | 119.6° | 119.9° |
| C11 | C16 | H161 | 120.2° | 120.0° |
| C12 | C13 | C14 | 119.2° | 120.1° |
| C13 | C12 | H121 | 120.2° | 120.0° |
| C12 | C13 | H131 | 120.4° | 119.9° |
| C13 | C14 | C15 | 121.3° | 120.1° |
| C13 | C14 | N10 | 120.1° | 120.0° |
| C14 | C13 | H131 | 120.4° | 120.0° |
| C15 | C14 | N10 | 118.6° | 119.9° |
| C14 | C15 | C16 | 119.4° | 120.1° |
| C14 | C15 | H151 | 120.3° | 119.9° |
| C14 | N10 | C9 | 117.2° | 120.0° |
| C14 | N10 | H101 | 107.5° | 120.0° |
| C16 | C15 | H151 | 120.3° | 120.0° |
| C15 | C16 | H161 | 120.2° | 120.0° |
| N1 | C2 | N3 | 121.3° | 122.0° |
| N1 | C2 | NA2 | 118.8° | 119.0° |
| C2 | N1 | C8A | 121.0° | 120.4° |
| N3 | C2 | NA2 | 119.9° | 119.0° |
| C2 | N3 | C4 | 121.4° | 120.9° |
| C2 | NA2 | HA22 | 109.5° | 120.0° |
| C2 | NA2 | HA23 | 109.5° | 120.0° |
| C4A | C4 | N3 | 118.8° | 118.7° |
| C4A | C4 | O4 | 121.4° | 120.7° |
| C4 | C4A | C8A | 117.7° | 118.8° |
| C4 | C4A | N5 | 125.2° | 121.1° |
| N3 | C4 | O4 | 119.8° | 120.7° |
| C4 | O4 | H41 | 109.5° | 114.0° |
| C8A | C4A | N5 | 117.1° | 120.1° |
| C4A | C8A | N1 | 119.8° | 119.1° |
| C4A | C8A | N8 | 120.7° | 119.9° |
| C4A | N5 | C5A | 124.7° | 120.8° |
| C4A | N5 | C6 | 117.3° | 118.5° |
| N5 | C5A | O5B | 122.1° | 120.0° |
| C5A | N5 | C6 | 117.9° | 120.7° |
| N5 | C5A | H5A1 | 118.9° | 120.0° |
| O5B | C5A | H5A1 | 118.9° | 120.0° |
| C7 | C6 | C9 | 109.2° | 109.8° |
| C7 | C6 | N5 | 111.4° | 108.2° |
| C6 | C7 | N8 | 115.2° | 108.4° |
| C7 | C6 | H61 | 108.5° | 109.7° |
| C6 | C7 | H71 | 108.0° | 109.7° |
| C6 | C7 | H72 | 108.0° | 109.7° |
| C9 | C6 | N5 | 109.5° | 109.7° |
| C6 | C9 | N10 | 109.0° | 109.5° |
| C9 | C6 | H61 | 107.8° | 109.7° |
| C6 | C9 | H92 | 109.6° | 109.4° |
| C6 | C9 | H91 | 109.6° | 109.5° |
| N5 | C6 | H61 | 110.3° | 109.7° |
| C7 | N8 | C8A | 116.5° | 118.9° |
| N8 | C7 | H71 | 108.0° | 109.6° |
| N8 | C7 | H72 | 108.0° | 109.6° |
| C7 | N8 | H81 | 107.7° | 120.6° |
| N1 | C8A | N8 | 119.5° | 121.0° |
| C8A | N8 | H81 | 107.7° | 120.6° |
| N10 | C9 | H92 | 109.6° | 109.5° |
| N10 | C9 | H91 | 109.6° | 109.4° |
| C9 | N10 | H101 | 107.5° | 120.0° |
| CA1 | CT1 | O11 | 119.5° | 120.0° |
| CA1 | CT1 | O21 | 120.1° | 120.0° |
| CT1 | CA1 | HA11 | 110.6° | 109.5° |
| CA2 | CT2 | O12 | 119.7° | 120.0° |
| CA2 | CT2 | O22 | 120.5° | 120.0° |
| CT2 | CA2 | HA21 | 108.8° | 109.5° |
| O11 | CT1 | O21 | 120.5° | 120.0° |
| CT1 | O21 | H1 | 109.5° | 117.1° |
| O12 | CT2 | O22 | 119.8° | 120.0° |
| CT2 | O22 | H2 | 109.5° | 117.0° |
| HB12 | CB1 | HB11 | 109.5° | 109.5° |
| HB23 | CB2 | HB22 | 109.5° | 109.5° |
| HG13 | CG1 | HG12 | 109.5° | 109.4° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.7° |
| H92 | C9 | H91 | 109.5° | 109.4° |
| HA22 | NA2 | HA23 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | NG1 | C11 | 177.6° | 179.7° |
| O | C | NG1 | CA1 | 1.4° | 0.0° |
| O | C | C11 | C12 | 165.0° | 0.0° |
| O | C | C11 | C16 | 16.5° | 179.7° |
| O | C | NG1 | HG11 | 178.6° | 180.0° |
| C | NG1 | CA1 | CB1 | 81.5° | 155.0° |
| C | NG1 | CA1 | HG11 | 180.0° | 180.0° |
| NG1 | C | C11 | C12 | 17.4° | 179.7° |
| NG1 | C | C11 | C16 | 161.1° | 0.6° |
| C | NG1 | CA1 | CT1 | 161.3° | 85.0° |
| C | NG1 | CA1 | HA11 | 40.5° | 35.0° |
| C11 | C | NG1 | CA1 | 179.0° | 179.7° |
| C | C11 | C12 | C16 | 178.4° | 179.7° |
| C | C11 | C12 | C13 | 178.9° | 180.0° |
| C | C11 | C16 | C15 | 178.6° | 179.7° |
| C11 | C | NG1 | HG11 | 1.0° | 0.3° |
| C | C11 | C12 | H121 | 1.1° | 0.1° |
| C | C11 | C16 | H161 | 1.4° | 0.1° |
| CG1 | CB1 | CA1 | HB12 | 120.3° | 120.0° |
| CG1 | CB1 | CA1 | HB11 | 120.3° | 120.0° |
| CB1 | CG1 | CD1 | HG13 | 120.5° | 120.1° |
| CB1 | CG1 | CD1 | HG12 | 120.5° | 120.0° |
| CG1 | CB1 | CA1 | NG1 | 64.0° | 65.0° |
| CB1 | CG1 | CD1 | NG2 | 104.6° | 180.0° |
| CB1 | CG1 | CD1 | OEB | 75.5° | 0.0° |
| CG1 | CB1 | CA1 | CT1 | 51.7° | 175.0° |
| CG1 | CB1 | HB12 | HB11 | 119.1° | 119.9° |
| CB1 | CG1 | HG13 | HG12 | 118.5° | 120.0° |
| CG1 | CB1 | CA1 | HA11 | 173.3° | 55.0° |
| CA1 | CB1 | CG1 | CD1 | 179.8° | 180.0° |
| CB1 | CA1 | NG1 | CT1 | 117.2° | 120.0° |
| CB1 | CA1 | NG1 | HA11 | 121.9° | 120.0° |
| CB1 | CA1 | CT1 | HA11 | 121.6° | 120.0° |
| CB1 | CA1 | CT1 | O11 | 119.1° | 120.0° |
| CB1 | CA1 | CT1 | O21 | 60.5° | 60.0° |
| CA1 | CB1 | HB12 | HB11 | 119.1° | 120.0° |
| CA1 | CB1 | CG1 | HG13 | 59.4° | 59.9° |
| CA1 | CB1 | CG1 | HG12 | 59.7° | 60.0° |
| CB1 | CA1 | NG1 | HG11 | 98.5° | 25.0° |
| CG2 | CB2 | CA2 | HB23 | 120.5° | 120.0° |
| CG2 | CB2 | CA2 | HB22 | 120.5° | 120.0° |
| CB2 | CG2 | CD2 | HG22 | 120.6° | 120.0° |
| CB2 | CG2 | CD2 | HG23 | 120.6° | 120.0° |
| CG2 | CB2 | CA2 | NG2 | 73.6° | 65.0° |
| CB2 | CG2 | CD2 | OEC | 13.2° | 0.0° |
| CB2 | CG2 | CD2 | OED | 166.8° | 180.0° |
| CG2 | CB2 | CA2 | CT2 | 165.6° | 175.0° |
| CG2 | CB2 | HB23 | HB22 | 118.5° | 120.0° |
| CB2 | CG2 | HG22 | HG23 | 118.2° | 120.0° |
| CG2 | CB2 | CA2 | HA21 | 46.7° | 55.0° |
| CA2 | CB2 | CG2 | CD2 | 68.6° | 180.0° |
| CB2 | CA2 | NG2 | CD1 | 167.4° | 155.0° |
| CB2 | CA2 | NG2 | CT2 | 120.8° | 120.0° |
| CB2 | CA2 | NG2 | HA21 | 119.7° | 120.0° |
| CB2 | CA2 | CT2 | HA21 | 118.8° | 120.0° |
| CB2 | CA2 | CT2 | O12 | 94.8° | 120.0° |
| CB2 | CA2 | CT2 | O22 | 85.1° | 60.0° |
| CA2 | CB2 | HB23 | HB22 | 118.4° | 119.9° |
| CA2 | CB2 | CG2 | HG22 | 52.0° | 60.0° |
| CA2 | CB2 | CG2 | HG23 | 170.8° | 60.0° |
| CB2 | CA2 | NG2 | HG21 | 12.6° | 25.1° |
| CG1 | CD1 | NG2 | OEB | 179.9° | 180.0° |
| CG1 | CD1 | NG2 | CA2 | 179.9° | 180.0° |
| CD1 | CG1 | CB1 | HB12 | 59.5° | 60.0° |
| CD1 | CG1 | CB1 | HB11 | 59.9° | 59.9° |
| CD1 | CG1 | HG13 | HG12 | 118.5° | 119.9° |
| CG1 | CD1 | NG2 | HG21 | 0.1° | 0.1° |
| NG1 | CA1 | CT1 | HA11 | 121.6° | 120.0° |
| NG1 | CA1 | CT1 | O11 | 2.2° | 0.0° |
| NG1 | CA1 | CT1 | O21 | 177.4° | 180.0° |
| NG1 | CA1 | CB1 | HB12 | 56.3° | 175.0° |
| NG1 | CA1 | CB1 | HB11 | 175.7° | 55.0° |
| CG2 | CD2 | OEC | OED | 180.0° | 180.0° |
| CD2 | CG2 | CB2 | HB23 | 51.9° | 60.0° |
| CD2 | CG2 | CB2 | HB22 | 170.9° | 60.0° |
| CD2 | CG2 | HG22 | HG23 | 118.1° | 120.0° |
| CG2 | CD2 | OED | H3 | 180.0° | 180.0° |
| CD1 | NG2 | CA2 | HG21 | 180.0° | 180.0° |
| CD1 | NG2 | CA2 | CT2 | 71.8° | 85.0° |
| NG2 | CD1 | CG1 | HG13 | 134.9° | 59.9° |
| NG2 | CD1 | CG1 | HG12 | 15.9° | 60.0° |
| CD1 | NG2 | CA2 | HA21 | 47.7° | 35.0° |
| CA2 | NG2 | CD1 | OEB | 0.0° | 0.0° |
| NG2 | CA2 | CT2 | HA21 | 120.1° | 120.0° |
| NG2 | CA2 | CT2 | O12 | 144.2° | 0.0° |
| NG2 | CA2 | CT2 | O22 | 35.9° | 180.0° |
| NG2 | CA2 | CB2 | HB23 | 165.9° | 175.0° |
| NG2 | CA2 | CB2 | HB22 | 46.9° | 55.0° |
| OEB | CD1 | CG1 | HG13 | 45.0° | 120.0° |
| OEB | CD1 | CG1 | HG12 | 164.0° | 120.0° |
| OEB | CD1 | NG2 | HG21 | 179.9° | 180.0° |
| OEC | CD2 | CG2 | HG22 | 133.9° | 120.0° |
| OEC | CD2 | CG2 | HG23 | 107.3° | 120.0° |
| OEC | CD2 | OED | H3 | 0.0° | 0.0° |
| OED | CD2 | CG2 | HG22 | 46.2° | 60.1° |
| OED | CD2 | CG2 | HG23 | 72.6° | 60.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.6° |
| C11 | C12 | C13 | H131 | 179.6° | 180.0° |
| C12 | C11 | C16 | H161 | 179.8° | 179.8° |
| C16 | C11 | C12 | C13 | 0.5° | 0.3° |
| C11 | C16 | C15 | C14 | 0.4° | 0.6° |
| C11 | C16 | C15 | H161 | 180.0° | 179.6° |
| C16 | C11 | C12 | H121 | 179.5° | 179.8° |
| C11 | C16 | C15 | H151 | 179.7° | 179.7° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | N10 | 179.7° | 180.0° |
| C13 | C14 | C15 | N10 | 179.6° | 179.9° |
| C13 | C14 | C15 | C16 | 0.5° | 0.3° |
| C13 | C14 | N10 | C9 | 139.5° | 180.0° |
| C14 | C13 | C12 | H121 | 179.7° | 180.0° |
| C13 | C14 | C15 | H151 | 179.5° | 180.0° |
| C13 | C14 | N10 | H101 | 99.4° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.7° |
| C15 | C14 | N10 | C9 | 40.1° | 0.0° |
| C15 | C14 | C13 | H131 | 179.9° | 179.9° |
| C14 | C15 | C16 | H161 | 179.7° | 179.8° |
| C15 | C14 | N10 | H101 | 81.1° | 179.9° |
| N10 | C14 | C15 | C16 | 179.9° | 179.7° |
| C14 | N10 | C9 | C6 | 169.5° | 180.0° |
| C14 | N10 | C9 | H101 | 121.1° | 179.9° |
| N10 | C14 | C13 | H131 | 0.3° | 0.0° |
| N10 | C14 | C15 | H151 | 0.1° | 0.0° |
| C14 | N10 | C9 | H92 | 49.6° | 60.0° |
| C14 | N10 | C9 | H91 | 70.6° | 60.0° |
| N1 | C2 | N3 | NA2 | 179.9° | 179.7° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| C2 | N1 | C8A | C4A | 0.1° | 0.1° |
| C2 | N1 | C8A | N8 | 179.7° | 179.9° |
| N1 | C2 | NA2 | HA22 | 0.0° | 0.0° |
| N1 | C2 | NA2 | HA23 | 120.0° | 180.0° |
| C2 | N3 | C4 | C4A | 0.5° | 0.0° |
| C2 | N3 | C4 | O4 | 179.8° | 180.0° |
| N3 | C2 | N1 | C8A | 0.1° | 0.0° |
| N3 | C2 | NA2 | HA22 | 180.0° | 179.7° |
| N3 | C2 | NA2 | HA23 | 59.9° | 0.3° |
| NA2 | C2 | N3 | C4 | 179.6° | 179.7° |
| NA2 | C2 | N1 | C8A | 179.8° | 179.7° |
| C2 | NA2 | HA22 | HA23 | 120.1° | 179.9° |
| C4A | C4 | N3 | O4 | 179.7° | 180.0° |
| C4 | C4A | C8A | N5 | 179.9° | 179.9° |
| C4 | C4A | N5 | C5A | 35.4° | 16.0° |
| C4 | C4A | N5 | C6 | 147.7° | 164.0° |
| C4 | C4A | C8A | N1 | 0.3° | 0.1° |
| C4 | C4A | C8A | N8 | 179.5° | 179.9° |
| C4A | C4 | O4 | H41 | 31.3° | 96.0° |
| N3 | C4 | C4A | C8A | 0.5° | 0.1° |
| N3 | C4 | C4A | N5 | 179.6° | 179.8° |
| N3 | C4 | O4 | H41 | 148.4° | 84.0° |
| O4 | C4 | C4A | C8A | 179.8° | 179.9° |
| O4 | C4 | C4A | N5 | 0.1° | 0.2° |
| C8A | C4A | N5 | C5A | 144.8° | 163.9° |
| C8A | C4A | N5 | C6 | 32.2° | 16.1° |
| C4A | C8A | N8 | C7 | 5.7° | 17.0° |
| C4A | C8A | N1 | N8 | 179.9° | 180.0° |
| C4A | C8A | N8 | H81 | 115.3° | 163.0° |
| C4A | N5 | C5A | C6 | 176.9° | 180.0° |
| C4A | N5 | C5A | O5B | 1.7° | 175.7° |
| C4A | N5 | C6 | C7 | 54.6° | 44.4° |
| C4A | N5 | C6 | C9 | 66.4° | 75.3° |
| N5 | C4A | C8A | N1 | 179.8° | 179.8° |
| N5 | C4A | C8A | N8 | 0.3° | 0.3° |
| C4A | N5 | C5A | H5A1 | 178.3° | 4.3° |
| C4A | N5 | C6 | H61 | 175.1° | 164.1° |
| N5 | C5A | O5B | H5A1 | 180.0° | 179.9° |
| C5A | N5 | C6 | C7 | 122.6° | 135.6° |
| C5A | N5 | C6 | C9 | 116.4° | 104.6° |
| C5A | N5 | C6 | H61 | 2.1° | 16.0° |
| O5B | C5A | N5 | C6 | 178.6° | 4.4° |
| C7 | C6 | C9 | N5 | 122.3° | 118.7° |
| C7 | C6 | C9 | H61 | 117.7° | 120.6° |
| C7 | C6 | N5 | H61 | 120.5° | 119.7° |
| C6 | C7 | N8 | H71 | 120.8° | 119.8° |
| C6 | C7 | N8 | H72 | 120.8° | 119.7° |
| C6 | C7 | N8 | C8A | 16.9° | 45.5° |
| C7 | C6 | C9 | N10 | 173.8° | 175.0° |
| C6 | C7 | H71 | H72 | 117.4° | 120.6° |
| C7 | C6 | C9 | H92 | 66.3° | 55.0° |
| C7 | C6 | C9 | H91 | 53.9° | 65.0° |
| C6 | C7 | N8 | H81 | 138.0° | 134.5° |
| C9 | C6 | N5 | H61 | 118.5° | 120.6° |
| C9 | C6 | C7 | N8 | 74.9° | 63.2° |
| C6 | C9 | N10 | H92 | 119.9° | 120.0° |
| C6 | C9 | N10 | H91 | 119.9° | 120.1° |
| C9 | C6 | C7 | H71 | 164.2° | 177.1° |
| C9 | C6 | C7 | H72 | 45.9° | 56.5° |
| C6 | C9 | H92 | H91 | 120.2° | 120.0° |
| C6 | C9 | N10 | H101 | 48.4° | 0.0° |
| N5 | C6 | C7 | N8 | 46.2° | 56.5° |
| N5 | C6 | C9 | N10 | 63.9° | 56.3° |
| C6 | N5 | C5A | H5A1 | 1.4° | 175.7° |
| N5 | C6 | C7 | H71 | 74.6° | 63.2° |
| N5 | C6 | C7 | H72 | 167.1° | 176.2° |
| N5 | C6 | C9 | H92 | 56.0° | 63.7° |
| N5 | C6 | C9 | H91 | 176.2° | 176.3° |
| C7 | N8 | C8A | N1 | 174.2° | 163.0° |
| C7 | N8 | C8A | H81 | 121.0° | 180.0° |
| N8 | C7 | C6 | H61 | 167.8° | 176.2° |
| N8 | C7 | H71 | H72 | 117.4° | 120.5° |
| N1 | C8A | N8 | H81 | 64.8° | 17.0° |
| C8A | N8 | C7 | H71 | 103.9° | 74.3° |
| C8A | N8 | C7 | H72 | 137.7° | 165.2° |
| N10 | C9 | C6 | H61 | 56.1° | 64.3° |
| N10 | C9 | H92 | H91 | 120.2° | 119.9° |
| CA1 | CT1 | O11 | O21 | 179.6° | 180.0° |
| CT1 | CA1 | CB1 | HB12 | 172.0° | 55.0° |
| CT1 | CA1 | CB1 | HB11 | 68.6° | 65.0° |
| CT1 | CA1 | NG1 | HG11 | 18.7° | 95.0° |
| CA1 | CT1 | O21 | H1 | 179.6° | 180.0° |
| CA2 | CT2 | O12 | O22 | 179.9° | 180.0° |
| CT2 | CA2 | CB2 | HB23 | 45.1° | 55.0° |
| CT2 | CA2 | CB2 | HB22 | 73.9° | 65.0° |
| CT2 | CA2 | NG2 | HG21 | 108.2° | 95.0° |
| CA2 | CT2 | O22 | H2 | 179.9° | 180.0° |
| O11 | CT1 | CA1 | HA11 | 119.3° | 120.0° |
| O11 | CT1 | O21 | H1 | 0.0° | 0.0° |
| O21 | CT1 | CA1 | HA11 | 61.1° | 59.9° |
| O12 | CT2 | CA2 | HA21 | 24.0° | 120.0° |
| O12 | CT2 | O22 | H2 | 0.0° | 0.0° |
| O22 | CT2 | CA2 | HA21 | 156.1° | 60.0° |
| HB12 | CB1 | CG1 | HG13 | 60.9° | 60.1° |
| HB12 | CB1 | CG1 | HG12 | 180.0° | 180.0° |
| HB12 | CB1 | CA1 | HA11 | 66.4° | 65.0° |
| HB11 | CB1 | CG1 | HG13 | 179.7° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 60.6° | 60.0° |
| HB11 | CB1 | CA1 | HA11 | 53.0° | 175.0° |
| HB23 | CB2 | CG2 | HG22 | 172.5° | 60.0° |
| HB23 | CB2 | CG2 | HG23 | 68.6° | 180.0° |
| HB23 | CB2 | CA2 | HA21 | 73.8° | 65.0° |
| HB22 | CB2 | CG2 | HG22 | 68.5° | 180.0° |
| HB22 | CB2 | CG2 | HG23 | 50.3° | 60.0° |
| HB22 | CB2 | CA2 | HA21 | 167.2° | 175.0° |
| HG11 | NG1 | CA1 | HA11 | 139.5° | 145.0° |
| HG21 | NG2 | CA2 | HA21 | 132.3° | 145.0° |
| H121 | C12 | C13 | H131 | 0.4° | 0.0° |
| H151 | C15 | C16 | H161 | 0.3° | 0.1° |
| H61 | C6 | C7 | H71 | 46.9° | 56.5° |
| H61 | C6 | C7 | H72 | 71.4° | 64.1° |
| H61 | C6 | C9 | H92 | 176.1° | 175.6° |
| H61 | C6 | C9 | H91 | 63.8° | 55.7° |
| H71 | C7 | N8 | H81 | 17.1° | 105.7° |
| H72 | C7 | N8 | H81 | 101.2° | 14.8° |
| H92 | C9 | N10 | H101 | 71.5° | 120.0° |
| H91 | C9 | N10 | H101 | 168.3° | 120.1° |
