5I0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C43 | sing | 1.43Å | 1.42Å | |
| C63 | O63 | sing | 1.43Å | 1.42Å | |
| C63 | C53 | sing | 1.53Å | 1.51Å | |
| C43 | C53 | sing | 1.53Å | 1.53Å | |
| C43 | C33 | sing | 1.53Å | 1.52Å | |
| O33 | C33 | sing | 1.43Å | 1.42Å | |
| NF1 | CD1 | doub | 1.33Å | 1.32Å | |
| C53 | O53 | sing | 1.43Å | 1.44Å | |
| C33 | C23 | sing | 1.53Å | 1.54Å | |
| O53 | C13 | sing | 1.43Å | 1.42Å | |
| C23 | C13 | sing | 1.53Å | 1.55Å | |
| C23 | N23 | sing | 1.47Å | 1.50Å | |
| CD1 | NE1 | sing | 1.33Å | 1.32Å | |
| CD1 | N31 | sing | 1.37Å | 1.42Å | |
| CI3 | N23 | sing | 1.47Å | 1.48Å | |
| C13 | O13 | sing | 1.43Å | 1.41Å | |
| N31 | C31 | sing | 1.47Å | 1.45Å | |
| O21 | C21 | sing | 1.43Å | 1.42Å | |
| O13 | C22 | sing | 1.43Å | 1.44Å | |
| C21 | C31 | sing | 1.53Å | 1.53Å | |
| C21 | C11 | sing | 1.53Å | 1.53Å | |
| C31 | C41 | sing | 1.53Å | 1.53Å | |
| C12 | C22 | sing | 1.54Å | 1.53Å | |
| C12 | O42 | sing | 1.44Å | 1.41Å | |
| C12 | O41 | sing | 1.43Å | 1.41Å | |
| C22 | C32 | sing | 1.55Å | 1.55Å | |
| C41 | O41 | sing | 1.43Å | 1.44Å | |
| C41 | C51 | sing | 1.53Å | 1.52Å | |
| NC1 | CA1 | doub | 1.33Å | 1.32Å | |
| O42 | C42 | sing | 1.44Å | 1.44Å | |
| N11 | CA1 | sing | 1.37Å | 1.40Å | |
| N11 | C11 | sing | 1.46Å | 1.45Å | |
| CA1 | NB1 | sing | 1.33Å | 1.32Å | |
| C11 | C61 | sing | 1.53Å | 1.53Å | |
| O32 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C42 | sing | 1.54Å | 1.55Å | |
| C32 | CG2 | sing | 1.53Å | 1.54Å | |
| C61 | C51 | sing | 1.53Å | 1.52Å | |
| C61 | O61 | sing | 1.43Å | 1.42Å | |
| C51 | O51 | sing | 1.43Å | 1.42Å | |
| C42 | CH2 | sing | 1.53Å | 1.51Å | |
| CG2 | OG2A | sing | 1.43Å | 1.40Å | |
| CG2 | OG2B | sing | 1.43Å | 1.40Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| NB1 | HB11 | sing | 0.97Å | 1.00Å | |
| NB1 | HB12 | sing | 0.97Å | 1.00Å | |
| NE1 | HE12 | sing | 0.97Å | 1.00Å | |
| NE1 | HE11 | sing | 0.97Å | 1.00Å | |
| CH2 | HH23 | sing | 1.09Å | 1.10Å | |
| CH2 | HH22 | sing | 1.09Å | 1.10Å | |
| CH2 | HH21 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| CI3 | HI33 | sing | 1.09Å | 1.10Å | |
| CI3 | HI31 | sing | 1.09Å | 1.10Å | |
| CI3 | HI32 | sing | 1.09Å | 1.10Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| N23 | HN24 | sing | 1.01Å | 1.00Å | |
| N23 | HN23 | sing | 1.01Å | 1.00Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| NC1 | HC12 | sing | 0.97Å | 1.00Å | |
| NF1 | HF11 | sing | 0.97Å | 1.00Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å | |
| O51 | HO51 | sing | 0.97Å | 0.95Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| O63 | HO63 | sing | 0.97Å | 0.95Å | |
| OG2A | HG2A | sing | 0.97Å | 0.95Å | |
| OG2B | HG2B | sing | 0.97Å | 0.95Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| NC1 | HC11 | sing | 0.97Å | 1.00Å | |
| NF1 | HF12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | C43 | C53 | 108.8° | 109.5° |
| O43 | C43 | C33 | 110.2° | 109.5° |
| O43 | C43 | H43 | 110.1° | 109.6° |
| C43 | O43 | HO43 | 109.5° | 113.9° |
| O63 | C63 | C53 | 111.6° | 109.5° |
| O63 | C63 | H631 | 108.9° | 109.5° |
| O63 | C63 | H632 | 108.9° | 109.5° |
| C63 | O63 | HO63 | 109.5° | 114.0° |
| C63 | C53 | C43 | 112.6° | 109.5° |
| C63 | C53 | O53 | 107.0° | 109.4° |
| C63 | C53 | H53 | 108.8° | 109.5° |
| C53 | C63 | H631 | 108.9° | 109.4° |
| C53 | C63 | H632 | 108.9° | 109.5° |
| C53 | C43 | C33 | 110.1° | 109.2° |
| C43 | C53 | O53 | 109.8° | 109.5° |
| C53 | C43 | H43 | 108.7° | 109.5° |
| C43 | C53 | H53 | 108.7° | 109.5° |
| C43 | C33 | O33 | 110.6° | 109.6° |
| C43 | C33 | C23 | 106.6° | 109.1° |
| C43 | C33 | H33 | 111.1° | 109.5° |
| C33 | C43 | H43 | 108.8° | 109.5° |
| O33 | C33 | C23 | 104.6° | 109.6° |
| O33 | C33 | H33 | 112.7° | 109.6° |
| C33 | O33 | HO33 | 109.5° | 114.0° |
| NF1 | CD1 | NE1 | 120.7° | 120.0° |
| NF1 | CD1 | N31 | 119.5° | 120.0° |
| CD1 | NF1 | HF11 | 120.0° | 120.0° |
| CD1 | NF1 | HF12 | 120.0° | 120.0° |
| C53 | O53 | C13 | 113.5° | 114.1° |
| O53 | C53 | H53 | 109.9° | 109.5° |
| C33 | C23 | C13 | 110.2° | 109.2° |
| C33 | C23 | N23 | 109.6° | 109.5° |
| C33 | C23 | H23 | 108.5° | 109.5° |
| C23 | C33 | H33 | 110.9° | 109.5° |
| O53 | C13 | C23 | 108.6° | 109.4° |
| O53 | C13 | O13 | 110.0° | 109.4° |
| O53 | C13 | H13 | 110.7° | 109.5° |
| C13 | C23 | N23 | 111.3° | 109.6° |
| C23 | C13 | O13 | 107.7° | 109.5° |
| C23 | C13 | H13 | 108.8° | 109.5° |
| C13 | C23 | H23 | 108.3° | 109.5° |
| C23 | N23 | CI3 | 115.2° | 109.5° |
| N23 | C23 | H23 | 108.9° | 109.5° |
| C23 | N23 | HN24 | 108.0° | 109.4° |
| C23 | N23 | HN23 | 108.0° | 109.5° |
| NE1 | CD1 | N31 | 119.8° | 120.0° |
| CD1 | NE1 | HE12 | 120.0° | 120.0° |
| CD1 | NE1 | HE11 | 120.0° | 120.0° |
| CD1 | N31 | C31 | 130.4° | 120.0° |
| CD1 | N31 | HN31 | 114.8° | 120.0° |
| N23 | CI3 | HI33 | 109.5° | 109.5° |
| N23 | CI3 | HI31 | 109.5° | 109.4° |
| N23 | CI3 | HI32 | 109.5° | 109.4° |
| CI3 | N23 | HN24 | 108.0° | 109.5° |
| CI3 | N23 | HN23 | 108.0° | 109.5° |
| C13 | O13 | C22 | 116.4° | 114.0° |
| O13 | C13 | H13 | 110.9° | 109.5° |
| N31 | C31 | C21 | 110.7° | 109.4° |
| N31 | C31 | C41 | 110.9° | 109.5° |
| N31 | C31 | H31 | 109.0° | 109.5° |
| C31 | N31 | HN31 | 114.8° | 120.0° |
| O21 | C21 | C31 | 110.2° | 109.5° |
| O21 | C21 | C11 | 109.6° | 109.4° |
| O21 | C21 | H21 | 110.0° | 109.5° |
| C21 | O21 | HO21 | 109.5° | 113.9° |
| O13 | C22 | C12 | 112.7° | 110.5° |
| O13 | C22 | C32 | 111.4° | 110.5° |
| O13 | C22 | H22 | 110.4° | 110.6° |
| C31 | C21 | C11 | 109.9° | 109.4° |
| C21 | C31 | C41 | 110.2° | 109.5° |
| C31 | C21 | H21 | 108.6° | 109.5° |
| C21 | C31 | H31 | 108.0° | 109.5° |
| C21 | C11 | N11 | 110.5° | 109.5° |
| C21 | C11 | C61 | 110.0° | 109.5° |
| C21 | C11 | H11 | 108.2° | 109.5° |
| C11 | C21 | H21 | 108.6° | 109.5° |
| C31 | C41 | O41 | 119.3° | 109.5° |
| C31 | C41 | C51 | 110.8° | 109.4° |
| C41 | C31 | H31 | 108.0° | 109.5° |
| C31 | C41 | H41 | 105.7° | 109.5° |
| C22 | C12 | O42 | 107.0° | 104.8° |
| C22 | C12 | O41 | 107.7° | 110.4° |
| C12 | C22 | C32 | 104.0° | 104.0° |
| C22 | C12 | H12 | 112.4° | 110.3° |
| C12 | C22 | H22 | 109.2° | 110.5° |
| O42 | C12 | O41 | 99.9° | 110.4° |
| C12 | O42 | C42 | 104.3° | 105.3° |
| O42 | C12 | H12 | 114.3° | 110.4° |
| C12 | O41 | C41 | 118.2° | 114.0° |
| O41 | C12 | H12 | 114.5° | 110.4° |
| C22 | C32 | O32 | 110.0° | 110.5° |
| C22 | C32 | C42 | 101.3° | 104.1° |
| C22 | C32 | CG2 | 113.5° | 110.5° |
| C32 | C22 | H22 | 108.9° | 110.5° |
| O41 | C41 | C51 | 107.9° | 109.5° |
| O41 | C41 | H41 | 106.7° | 109.4° |
| C41 | C51 | C61 | 110.5° | 109.5° |
| C41 | C51 | O51 | 110.3° | 109.4° |
| C51 | C41 | H41 | 105.7° | 109.5° |
| C41 | C51 | H51 | 108.3° | 109.5° |
| NC1 | CA1 | N11 | 115.3° | 120.0° |
| NC1 | CA1 | NB1 | 120.6° | 120.0° |
| CA1 | NC1 | HC12 | 120.0° | 120.0° |
| CA1 | NC1 | HC11 | 120.0° | 120.0° |
| O42 | C42 | C32 | 103.5° | 104.8° |
| O42 | C42 | CH2 | 110.1° | 110.4° |
| O42 | C42 | H42 | 109.3° | 110.4° |
| CA1 | N11 | C11 | 127.2° | 120.0° |
| N11 | CA1 | NB1 | 124.1° | 120.0° |
| CA1 | N11 | HN11 | 116.4° | 120.0° |
| N11 | C11 | C61 | 110.7° | 109.5° |
| N11 | C11 | H11 | 109.1° | 109.5° |
| C11 | N11 | HN11 | 116.4° | 120.0° |
| CA1 | NB1 | HB11 | 120.0° | 120.0° |
| CA1 | NB1 | HB12 | 120.0° | 120.0° |
| C11 | C61 | C51 | 110.0° | 109.5° |
| C11 | C61 | O61 | 109.3° | 109.5° |
| C61 | C11 | H11 | 108.2° | 109.4° |
| C11 | C61 | H61 | 108.7° | 109.5° |
| O32 | C32 | C42 | 109.6° | 110.5° |
| O32 | C32 | CG2 | 107.7° | 110.5° |
| C32 | O32 | HO32 | 109.5° | 114.0° |
| C42 | C32 | CG2 | 114.7° | 110.5° |
| C32 | C42 | CH2 | 117.3° | 110.4° |
| C32 | C42 | H42 | 108.0° | 110.4° |
| C32 | CG2 | OG2A | 106.3° | 109.5° |
| C32 | CG2 | OG2B | 110.7° | 109.5° |
| C32 | CG2 | HG21 | 107.9° | 109.5° |
| C51 | C61 | O61 | 110.0° | 109.5° |
| C61 | C51 | O51 | 109.7° | 109.5° |
| C61 | C51 | H51 | 108.4° | 109.5° |
| C51 | C61 | H61 | 108.7° | 109.5° |
| O61 | C61 | H61 | 110.1° | 109.4° |
| C61 | O61 | HO61 | 109.5° | 114.0° |
| O51 | C51 | H51 | 109.7° | 109.5° |
| C51 | O51 | HO51 | 109.5° | 113.9° |
| C42 | CH2 | HH23 | 109.5° | 109.5° |
| C42 | CH2 | HH22 | 109.5° | 109.4° |
| C42 | CH2 | HH21 | 109.5° | 109.5° |
| CH2 | C42 | H42 | 108.4° | 110.4° |
| OG2A | CG2 | OG2B | 112.1° | 109.5° |
| CG2 | OG2A | HG2A | 109.5° | 114.0° |
| OG2A | CG2 | HG21 | 109.8° | 109.4° |
| CG2 | OG2B | HG2B | 109.5° | 114.0° |
| OG2B | CG2 | HG21 | 109.8° | 109.5° |
| HB11 | NB1 | HB12 | 120.0° | 120.0° |
| HE12 | NE1 | HE11 | 120.0° | 120.1° |
| HH23 | CH2 | HH22 | 109.5° | 109.4° |
| HH23 | CH2 | HH21 | 109.5° | 109.4° |
| HH22 | CH2 | HH21 | 109.5° | 109.5° |
| H631 | C63 | H632 | 109.4° | 109.5° |
| HI33 | CI3 | HI31 | 109.4° | 109.5° |
| HI33 | CI3 | HI32 | 109.5° | 109.5° |
| HI31 | CI3 | HI32 | 109.5° | 109.5° |
| HN24 | N23 | HN23 | 109.4° | 109.5° |
| HC12 | NC1 | HC11 | 120.0° | 119.9° |
| HF11 | NF1 | HF12 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C43 | C53 | C63 | 61.0° | 62.5° |
| O43 | C43 | C53 | C33 | 120.9° | 119.9° |
| O43 | C43 | C53 | H43 | 119.9° | 120.2° |
| O43 | C43 | C33 | H43 | 120.8° | 120.2° |
| O43 | C43 | C33 | O33 | 69.1° | 63.2° |
| O43 | C43 | C53 | O53 | 179.8° | 177.5° |
| O43 | C43 | C33 | C23 | 177.8° | 176.9° |
| O43 | C43 | C33 | H33 | 56.8° | 57.0° |
| O43 | C43 | C53 | H53 | 59.6° | 57.5° |
| O63 | C63 | C53 | H631 | 120.3° | 120.0° |
| O63 | C63 | C53 | H632 | 120.4° | 120.0° |
| O63 | C63 | C53 | C43 | 176.1° | 175.0° |
| O63 | C63 | C53 | O53 | 63.2° | 65.0° |
| O63 | C63 | C53 | H53 | 55.5° | 55.0° |
| O63 | C63 | H631 | H632 | 119.0° | 120.0° |
| C63 | C53 | C43 | O53 | 119.1° | 120.0° |
| C63 | C53 | C43 | H53 | 120.6° | 120.0° |
| C63 | C53 | C43 | C33 | 178.0° | 177.6° |
| C63 | C53 | O53 | H53 | 118.0° | 120.0° |
| C63 | C53 | O53 | C13 | 176.5° | 178.9° |
| C63 | C53 | C43 | H43 | 58.9° | 57.7° |
| C53 | C63 | H631 | H632 | 119.0° | 120.0° |
| C53 | C63 | O63 | HO63 | 180.0° | 180.0° |
| C53 | C43 | C33 | H43 | 119.1° | 119.9° |
| C53 | C43 | C33 | O33 | 170.8° | 176.9° |
| C43 | C53 | O53 | H53 | 119.5° | 120.0° |
| C53 | C43 | C33 | C23 | 57.7° | 56.9° |
| C43 | C53 | O53 | C13 | 61.0° | 61.1° |
| C53 | C43 | C33 | H33 | 63.3° | 62.9° |
| C43 | C53 | C63 | H631 | 55.7° | 65.0° |
| C43 | C53 | C63 | H632 | 63.6° | 55.0° |
| C53 | C43 | O43 | HO43 | 180.0° | 60.0° |
| C43 | C33 | O33 | C23 | 114.4° | 119.6° |
| C43 | C33 | O33 | H33 | 125.1° | 120.2° |
| C33 | C43 | C53 | O53 | 58.9° | 57.6° |
| C43 | C33 | C23 | H33 | 121.1° | 119.8° |
| C43 | C33 | C23 | C13 | 57.9° | 56.9° |
| C43 | C33 | C23 | N23 | 179.3° | 176.9° |
| C43 | C33 | C23 | H23 | 60.5° | 63.0° |
| C33 | C43 | C53 | H53 | 61.3° | 62.4° |
| C43 | C33 | O33 | HO33 | 180.0° | 60.4° |
| C33 | C43 | O43 | HO43 | 59.1° | 179.7° |
| O33 | C33 | C23 | H33 | 121.7° | 120.2° |
| O33 | C33 | C23 | C13 | 175.1° | 176.9° |
| O33 | C33 | C23 | N23 | 62.1° | 63.1° |
| O33 | C33 | C23 | H23 | 56.7° | 57.0° |
| O33 | C33 | C43 | H43 | 51.7° | 57.0° |
| NF1 | CD1 | NE1 | N31 | 179.1° | 180.0° |
| NF1 | CD1 | N31 | C31 | 169.9° | 180.0° |
| NF1 | CD1 | NE1 | HE12 | 179.1° | 180.0° |
| NF1 | CD1 | NE1 | HE11 | 0.8° | 0.1° |
| NF1 | CD1 | N31 | HN31 | 10.1° | 0.0° |
| CD1 | NF1 | HF11 | HF12 | 180.0° | 180.0° |
| C53 | O53 | C13 | C23 | 60.5° | 61.1° |
| C53 | O53 | C13 | O13 | 57.2° | 58.8° |
| C53 | O53 | C13 | H13 | 179.9° | 178.9° |
| O53 | C53 | C43 | H43 | 60.2° | 62.3° |
| O53 | C53 | C63 | H631 | 176.5° | 54.9° |
| O53 | C53 | C63 | H632 | 57.2° | 175.0° |
| C33 | C23 | C13 | O53 | 59.1° | 57.6° |
| C33 | C23 | C13 | N23 | 121.8° | 119.9° |
| C33 | C23 | C13 | H23 | 118.5° | 119.9° |
| C33 | C23 | N23 | H23 | 118.5° | 120.1° |
| C33 | C23 | N23 | CI3 | 116.1° | 175.3° |
| C33 | C23 | C13 | O13 | 60.0° | 62.4° |
| C33 | C23 | C13 | H13 | 179.7° | 177.6° |
| C23 | C33 | C43 | H43 | 61.4° | 62.9° |
| C33 | C23 | N23 | HN24 | 123.1° | 64.7° |
| C33 | C23 | N23 | HN23 | 4.8° | 55.3° |
| C23 | C33 | O33 | HO33 | 65.6° | 180.0° |
| O53 | C13 | C23 | O13 | 119.1° | 119.9° |
| O53 | C13 | C23 | H13 | 120.6° | 120.0° |
| O53 | C13 | C23 | N23 | 179.1° | 177.5° |
| O53 | C13 | O13 | H13 | 122.8° | 120.0° |
| O53 | C13 | O13 | C22 | 88.3° | 75.2° |
| O53 | C13 | C23 | H23 | 59.4° | 62.3° |
| C13 | O53 | C53 | H53 | 58.5° | 58.9° |
| C13 | C23 | N23 | H23 | 119.3° | 120.1° |
| C13 | C23 | N23 | CI3 | 121.8° | 65.0° |
| C23 | C13 | O13 | H13 | 119.0° | 120.1° |
| C23 | C13 | O13 | C22 | 153.5° | 164.8° |
| C13 | C23 | C33 | H33 | 63.2° | 62.9° |
| C13 | C23 | N23 | HN24 | 0.9° | 55.0° |
| C13 | C23 | N23 | HN23 | 117.4° | 175.0° |
| C23 | N23 | CI3 | HN24 | 120.8° | 119.9° |
| C23 | N23 | CI3 | HN23 | 120.9° | 120.0° |
| N23 | C23 | C13 | O13 | 61.7° | 57.6° |
| N23 | C23 | C13 | H13 | 58.5° | 62.5° |
| N23 | C23 | C33 | H33 | 59.6° | 57.1° |
| C23 | N23 | CI3 | HI33 | 180.0° | 60.0° |
| C23 | N23 | CI3 | HI31 | 60.0° | 180.0° |
| C23 | N23 | CI3 | HI32 | 60.0° | 60.1° |
| C23 | N23 | HN24 | HN23 | 117.4° | 120.0° |
| NE1 | CD1 | N31 | C31 | 11.0° | 0.0° |
| CD1 | NE1 | HE12 | HE11 | 180.0° | 179.9° |
| NE1 | CD1 | N31 | HN31 | 169.0° | 180.0° |
| NE1 | CD1 | NF1 | HF11 | 179.1° | 0.0° |
| NE1 | CD1 | NF1 | HF12 | 0.9° | 180.0° |
| CD1 | N31 | C31 | HN31 | 180.0° | 180.0° |
| CD1 | N31 | C31 | C21 | 95.2° | 85.0° |
| CD1 | N31 | C31 | C41 | 142.2° | 155.0° |
| N31 | CD1 | NE1 | HE12 | 0.0° | 0.0° |
| N31 | CD1 | NE1 | HE11 | 180.0° | 179.9° |
| CD1 | N31 | C31 | H31 | 23.4° | 35.0° |
| N31 | CD1 | NF1 | HF11 | 0.0° | 180.0° |
| N31 | CD1 | NF1 | HF12 | 180.0° | 0.0° |
| CI3 | N23 | C23 | H23 | 2.4° | 55.2° |
| N23 | CI3 | HI33 | HI31 | 120.0° | 120.0° |
| N23 | CI3 | HI33 | HI32 | 120.0° | 120.0° |
| N23 | CI3 | HI31 | HI32 | 120.0° | 120.0° |
| CI3 | N23 | HN24 | HN23 | 117.4° | 120.1° |
| C13 | O13 | C22 | C12 | 82.4° | 96.1° |
| C13 | O13 | C22 | C32 | 161.1° | 149.4° |
| C13 | O13 | C22 | H22 | 40.0° | 26.7° |
| O13 | C13 | C23 | H23 | 178.6° | 177.7° |
| N31 | C31 | C21 | O21 | 57.8° | 60.1° |
| N31 | C31 | C21 | C41 | 123.1° | 120.0° |
| N31 | C31 | C21 | H31 | 119.2° | 120.0° |
| N31 | C31 | C21 | C11 | 178.7° | 180.0° |
| N31 | C31 | C41 | H31 | 119.4° | 120.0° |
| N31 | C31 | C41 | O41 | 53.8° | 60.0° |
| N31 | C31 | C41 | C51 | 179.8° | 180.0° |
| N31 | C31 | C21 | H21 | 62.7° | 60.0° |
| N31 | C31 | C41 | H41 | 66.1° | 60.0° |
| O21 | C21 | C31 | C11 | 120.9° | 119.9° |
| O21 | C21 | C31 | H21 | 120.5° | 120.1° |
| O21 | C21 | C11 | H21 | 120.2° | 120.1° |
| O21 | C21 | C31 | C41 | 179.1° | 180.0° |
| O21 | C21 | C11 | N11 | 56.9° | 60.1° |
| O21 | C21 | C11 | C61 | 179.5° | 179.9° |
| O21 | C21 | C11 | H11 | 62.5° | 60.0° |
| O21 | C21 | C31 | H31 | 61.4° | 59.9° |
| O13 | C22 | C12 | C32 | 120.8° | 118.6° |
| O13 | C22 | C12 | H22 | 123.1° | 122.8° |
| O13 | C22 | C12 | O42 | 107.6° | 94.6° |
| O13 | C22 | C12 | O41 | 145.7° | 146.5° |
| O13 | C22 | C32 | H22 | 122.0° | 122.8° |
| O13 | C22 | C32 | O32 | 19.5° | 0.1° |
| O13 | C22 | C32 | C42 | 135.3° | 118.6° |
| O13 | C22 | C32 | CG2 | 101.2° | 122.7° |
| O13 | C22 | C12 | H12 | 18.7° | 24.2° |
| C22 | O13 | C13 | H13 | 34.5° | 44.8° |
| C31 | C21 | C11 | H21 | 118.6° | 120.0° |
| C21 | C31 | C41 | H31 | 117.7° | 120.1° |
| C21 | C31 | C41 | O41 | 176.7° | 179.9° |
| C21 | C31 | C41 | C51 | 57.3° | 60.0° |
| C31 | C21 | C11 | N11 | 178.2° | 180.0° |
| C31 | C21 | C11 | C61 | 59.2° | 60.0° |
| C31 | C21 | C11 | H11 | 58.8° | 60.0° |
| C21 | C31 | C41 | H41 | 56.8° | 60.0° |
| C21 | C31 | N31 | HN31 | 84.8° | 95.0° |
| C31 | C21 | O21 | HO21 | 180.0° | 180.0° |
| C11 | C21 | C31 | C41 | 58.2° | 60.0° |
| C21 | C11 | N11 | CA1 | 98.5° | 155.0° |
| C21 | C11 | N11 | C61 | 122.1° | 120.0° |
| C21 | C11 | N11 | H11 | 118.9° | 120.0° |
| C21 | C11 | C61 | H11 | 118.0° | 120.0° |
| C21 | C11 | C61 | C51 | 59.0° | 60.0° |
| C21 | C11 | C61 | O61 | 179.9° | 180.0° |
| C11 | C21 | C31 | H31 | 59.5° | 60.0° |
| C21 | C11 | C61 | H61 | 59.9° | 60.0° |
| C21 | C11 | N11 | HN11 | 81.5° | 25.0° |
| C11 | C21 | O21 | HO21 | 58.9° | 60.0° |
| C31 | C41 | O41 | C12 | 101.4° | 150.0° |
| C31 | C41 | O41 | C51 | 127.4° | 120.0° |
| C31 | C41 | O41 | H41 | 119.4° | 120.0° |
| C31 | C41 | C51 | H41 | 114.0° | 120.0° |
| C31 | C41 | C51 | C61 | 57.1° | 60.0° |
| C31 | C41 | C51 | O51 | 178.5° | 180.0° |
| C41 | C31 | C21 | H21 | 60.4° | 60.0° |
| C31 | C41 | C51 | H51 | 61.4° | 60.0° |
| C41 | C31 | N31 | HN31 | 37.8° | 25.0° |
| C22 | C12 | O42 | O41 | 112.1° | 118.8° |
| C22 | C12 | O42 | H12 | 125.1° | 118.8° |
| C22 | C12 | O41 | H12 | 125.8° | 122.3° |
| C12 | C22 | C32 | H22 | 116.3° | 118.6° |
| C22 | C12 | O41 | C41 | 171.1° | 175.0° |
| C22 | C12 | O42 | C42 | 37.0° | 40.5° |
| C12 | C22 | C32 | O32 | 102.2° | 118.7° |
| C12 | C22 | C32 | C42 | 13.6° | 0.0° |
| C12 | C22 | C32 | CG2 | 137.1° | 118.7° |
| O42 | C12 | O41 | H12 | 122.6° | 122.3° |
| O42 | C12 | C22 | C32 | 13.2° | 24.0° |
| O42 | C12 | O41 | C41 | 77.3° | 69.6° |
| C12 | O42 | C42 | C32 | 45.9° | 40.5° |
| C12 | O42 | C42 | CH2 | 172.1° | 159.3° |
| O42 | C12 | C22 | H22 | 129.3° | 142.6° |
| C12 | O42 | C42 | H42 | 68.9° | 78.4° |
| O41 | C12 | C22 | C32 | 93.5° | 94.9° |
| C12 | O41 | C41 | C51 | 131.2° | 90.0° |
| O41 | C12 | O42 | C42 | 75.1° | 78.3° |
| O41 | C12 | C22 | H22 | 22.6° | 23.8° |
| C12 | O41 | C41 | H41 | 18.0° | 30.0° |
| C22 | C32 | C42 | O42 | 35.8° | 24.0° |
| C22 | C32 | O32 | C42 | 110.5° | 114.7° |
| C22 | C32 | O32 | CG2 | 124.1° | 122.6° |
| C22 | C32 | C42 | CG2 | 122.7° | 118.6° |
| C22 | C32 | C42 | CH2 | 157.2° | 142.8° |
| C22 | C32 | CG2 | OG2A | 55.8° | 180.0° |
| C22 | C32 | CG2 | OG2B | 177.7° | 60.0° |
| C32 | C22 | C12 | H12 | 139.6° | 142.8° |
| C22 | C32 | C42 | H42 | 80.0° | 94.9° |
| C22 | C32 | O32 | HO32 | 180.0° | 179.9° |
| C22 | C32 | CG2 | HG21 | 62.0° | 60.1° |
| O41 | C41 | C51 | H41 | 113.8° | 120.0° |
| O41 | C41 | C51 | C61 | 170.7° | 180.0° |
| O41 | C41 | C51 | O51 | 49.3° | 60.0° |
| C41 | O41 | C12 | H12 | 45.3° | 52.7° |
| O41 | C41 | C31 | H31 | 65.6° | 60.0° |
| O41 | C41 | C51 | H51 | 70.7° | 60.0° |
| C41 | C51 | C61 | C11 | 57.8° | 60.0° |
| C41 | C51 | C61 | O51 | 121.8° | 120.0° |
| C41 | C51 | C61 | H51 | 118.5° | 120.0° |
| C41 | C51 | C61 | O61 | 178.3° | 180.0° |
| C41 | C51 | O51 | H51 | 119.2° | 120.0° |
| C51 | C41 | C31 | H31 | 60.5° | 60.0° |
| C41 | C51 | C61 | H61 | 61.1° | 60.0° |
| C41 | C51 | O51 | HO51 | 180.0° | 180.0° |
| NC1 | CA1 | N11 | NB1 | 178.4° | 180.0° |
| NC1 | CA1 | N11 | C11 | 175.8° | 180.0° |
| NC1 | CA1 | NB1 | HB11 | 178.4° | 180.0° |
| NC1 | CA1 | NB1 | HB12 | 1.7° | 0.0° |
| NC1 | CA1 | N11 | HN11 | 4.2° | 0.1° |
| CA1 | NC1 | HC12 | HC11 | 180.0° | 179.9° |
| O42 | C42 | C32 | O32 | 80.3° | 94.7° |
| O42 | C42 | C32 | CH2 | 121.4° | 118.8° |
| O42 | C42 | C32 | H42 | 115.8° | 118.9° |
| O42 | C42 | C32 | CG2 | 158.5° | 142.6° |
| O42 | C42 | CH2 | H42 | 119.5° | 122.3° |
| C42 | O42 | C12 | H12 | 162.2° | 159.3° |
| O42 | C42 | CH2 | HH23 | 180.0° | 175.4° |
| O42 | C42 | CH2 | HH22 | 60.0° | 64.6° |
| O42 | C42 | CH2 | HH21 | 60.0° | 55.4° |
| CA1 | N11 | C11 | HN11 | 180.0° | 180.0° |
| CA1 | N11 | C11 | C61 | 139.4° | 85.0° |
| CA1 | N11 | C11 | H11 | 20.4° | 35.0° |
| N11 | CA1 | NB1 | HB11 | 0.0° | 0.0° |
| N11 | CA1 | NB1 | HB12 | 180.0° | 180.0° |
| N11 | CA1 | NC1 | HC12 | 178.5° | 0.0° |
| N11 | CA1 | NC1 | HC11 | 1.6° | 180.0° |
| C11 | N11 | CA1 | NB1 | 2.6° | 0.0° |
| N11 | C11 | C61 | H11 | 119.6° | 120.0° |
| N11 | C11 | C61 | C51 | 178.6° | 180.0° |
| N11 | C11 | C61 | O61 | 57.7° | 60.0° |
| N11 | C11 | C21 | H21 | 63.2° | 60.0° |
| N11 | C11 | C61 | H61 | 62.5° | 60.0° |
| CA1 | NB1 | HB11 | HB12 | 180.0° | 180.0° |
| NB1 | CA1 | N11 | HN11 | 177.4° | 180.0° |
| NB1 | CA1 | NC1 | HC12 | 0.0° | 180.0° |
| NB1 | CA1 | NC1 | HC11 | 180.0° | 0.1° |
| C11 | C61 | C51 | O61 | 120.5° | 120.0° |
| C11 | C61 | C51 | H61 | 118.9° | 120.0° |
| C11 | C61 | O61 | H61 | 119.3° | 120.0° |
| C11 | C61 | C51 | O51 | 179.6° | 180.0° |
| C61 | C11 | C21 | H21 | 59.4° | 60.0° |
| C11 | C61 | C51 | H51 | 60.7° | 60.0° |
| C61 | C11 | N11 | HN11 | 40.6° | 95.0° |
| C11 | C61 | O61 | HO61 | 180.0° | 180.0° |
| O32 | C32 | C42 | CG2 | 121.2° | 122.7° |
| O32 | C32 | C42 | CH2 | 41.1° | 24.1° |
| O32 | C32 | CG2 | OG2A | 177.7° | 57.4° |
| O32 | C32 | CG2 | OG2B | 60.3° | 62.7° |
| O32 | C32 | C22 | H22 | 141.5° | 122.7° |
| O32 | C32 | C42 | H42 | 163.8° | 146.4° |
| O32 | C32 | CG2 | HG21 | 59.9° | 177.3° |
| C32 | C42 | CH2 | H42 | 122.5° | 122.3° |
| C42 | C32 | CG2 | OG2A | 60.1° | 65.3° |
| C42 | C32 | CG2 | OG2B | 61.9° | 174.7° |
| C32 | C42 | CH2 | HH23 | 62.1° | 60.0° |
| C32 | C42 | CH2 | HH22 | 178.0° | 180.0° |
| C32 | C42 | CH2 | HH21 | 58.0° | 60.0° |
| C42 | C32 | C22 | H22 | 102.6° | 118.6° |
| C42 | C32 | O32 | HO32 | 69.5° | 65.4° |
| C42 | C32 | CG2 | HG21 | 177.9° | 54.6° |
| CG2 | C32 | C42 | CH2 | 80.1° | 98.5° |
| C32 | CG2 | OG2A | OG2B | 121.1° | 120.0° |
| C32 | CG2 | OG2A | HG21 | 116.5° | 119.9° |
| C32 | CG2 | OG2B | HG21 | 119.1° | 120.0° |
| CG2 | C32 | C22 | H22 | 20.8° | 0.0° |
| CG2 | C32 | C42 | H42 | 42.6° | 23.7° |
| CG2 | C32 | O32 | HO32 | 55.9° | 57.3° |
| C32 | CG2 | OG2A | HG2A | 180.0° | 180.0° |
| C32 | CG2 | OG2B | HG2B | 180.0° | 60.1° |
| C51 | C61 | O61 | H61 | 119.7° | 120.0° |
| C61 | C51 | O51 | H51 | 118.9° | 120.0° |
| C51 | C61 | C11 | H11 | 59.0° | 60.0° |
| C61 | C51 | C41 | H41 | 56.9° | 60.0° |
| C61 | C51 | O51 | HO51 | 58.1° | 60.0° |
| C51 | C61 | O61 | HO61 | 59.1° | 60.0° |
| O61 | C61 | C51 | O51 | 59.9° | 60.0° |
| O61 | C61 | C11 | H11 | 61.9° | 60.0° |
| O61 | C61 | C51 | H51 | 59.8° | 60.0° |
| O51 | C51 | C41 | H41 | 64.5° | 60.0° |
| O51 | C51 | C61 | H61 | 60.7° | 60.0° |
| C42 | CH2 | HH23 | HH22 | 120.0° | 120.0° |
| C42 | CH2 | HH23 | HH21 | 120.0° | 120.1° |
| C42 | CH2 | HH22 | HH21 | 120.0° | 120.1° |
| OG2A | CG2 | OG2B | HG21 | 122.4° | 120.0° |
| OG2A | CG2 | OG2B | HG2B | 61.5° | 59.9° |
| OG2B | CG2 | OG2A | HG2A | 58.9° | 60.0° |
| H11 | C11 | C21 | H21 | 177.4° | 179.9° |
| H11 | C11 | C61 | H61 | 177.9° | 180.0° |
| H11 | C11 | N11 | HN11 | 159.6° | 145.0° |
| H12 | C12 | C22 | H22 | 104.4° | 98.6° |
| H13 | C13 | C23 | H23 | 61.2° | 57.6° |
| HH23 | CH2 | HH22 | HH21 | 120.0° | 119.9° |
| HH23 | CH2 | C42 | H42 | 60.5° | 62.2° |
| HH22 | CH2 | C42 | H42 | 59.5° | 57.7° |
| HH21 | CH2 | C42 | H42 | 179.5° | 177.7° |
| H21 | C21 | C31 | H31 | 178.1° | 180.0° |
| H21 | C21 | O21 | HO21 | 60.4° | 60.0° |
| H23 | C23 | C33 | H33 | 178.4° | 177.2° |
| H23 | C23 | N23 | HN24 | 118.4° | 175.1° |
| H23 | C23 | N23 | HN23 | 123.3° | 64.9° |
| H31 | C31 | C41 | H41 | 174.5° | 179.9° |
| H31 | C31 | N31 | HN31 | 156.6° | 145.0° |
| H33 | C33 | C43 | H43 | 177.7° | 177.2° |
| H33 | C33 | O33 | HO33 | 55.0° | 59.8° |
| H41 | C41 | C51 | H51 | 175.5° | 180.0° |
| H43 | C43 | C53 | H53 | 179.5° | 177.7° |
| H43 | C43 | O43 | HO43 | 60.9° | 60.1° |
| H51 | C51 | C61 | H61 | 179.6° | 180.0° |
| H51 | C51 | O51 | HO51 | 60.8° | 60.0° |
| H53 | C53 | C63 | H631 | 64.8° | 174.9° |
| H53 | C53 | C63 | H632 | 175.9° | 65.0° |
| H61 | C61 | O61 | HO61 | 60.7° | 60.0° |
| H631 | C63 | O63 | HO63 | 59.7° | 60.1° |
| H632 | C63 | O63 | HO63 | 59.7° | 60.0° |
| HI33 | CI3 | HI31 | HI32 | 120.0° | 120.1° |
| HI33 | CI3 | N23 | HN24 | 59.2° | 59.9° |
| HI33 | CI3 | N23 | HN23 | 59.1° | 180.0° |
| HI31 | CI3 | N23 | HN24 | 179.2° | 60.1° |
| HI31 | CI3 | N23 | HN23 | 60.8° | 60.0° |
| HI32 | CI3 | N23 | HN24 | 60.8° | 180.0° |
| HI32 | CI3 | N23 | HN23 | 179.1° | 60.0° |
| HG2A | OG2A | CG2 | HG21 | 63.5° | 60.0° |
| HG2B | OG2B | CG2 | HG21 | 60.9° | 179.9° |
