SRY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N11 | sing | 1.46Å | 1.52Å | |
| C11 | C21 | sing | 1.53Å | 1.54Å | |
| C11 | C61 | sing | 1.53Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N11 | CA1 | sing | 1.37Å | 1.32Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| CA1 | NB1 | sing | 1.37Å | 1.28Å | |
| CA1 | NC1 | doub | 1.30Å | 1.29Å | |
| NB1 | HB11 | sing | 0.97Å | 1.00Å | |
| NB1 | HB12 | sing | 0.97Å | 1.00Å | |
| NC1 | HC11 | sing | 0.97Å | 1.00Å | |
| C21 | O21 | sing | 1.43Å | 1.40Å | |
| C21 | C31 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| C31 | N31 | sing | 1.47Å | 1.48Å | |
| C31 | C41 | sing | 1.53Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| N31 | CD1 | sing | 1.38Å | 1.29Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| CD1 | NE1 | sing | 1.37Å | 1.31Å | |
| CD1 | NF1 | doub | 1.30Å | 1.28Å | |
| NE1 | HE11 | sing | 0.97Å | 1.00Å | |
| NE1 | HE12 | sing | 0.97Å | 1.00Å | |
| NF1 | HF11 | sing | 0.97Å | 1.00Å | |
| C41 | O41 | sing | 1.43Å | 1.42Å | |
| C41 | C51 | sing | 1.53Å | 1.56Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O41 | C12 | sing | 1.43Å | 1.44Å | |
| C51 | O51 | sing | 1.43Å | 1.43Å | |
| C51 | C61 | sing | 1.53Å | 1.54Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| O51 | HO51 | sing | 0.97Å | 0.95Å | |
| C61 | O61 | sing | 1.43Å | 1.44Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| C12 | C22 | sing | 1.54Å | 1.52Å | |
| C12 | O42 | sing | 1.44Å | 1.41Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | C32 | sing | 1.54Å | 1.47Å | |
| C22 | O13 | sing | 1.43Å | 1.32Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | O32 | sing | 1.43Å | 1.43Å | |
| C32 | CG2 | sing | 1.51Å | 1.51Å | |
| C32 | C42 | sing | 1.54Å | 1.47Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| CG2 | OG2 | doub | 1.21Å | 1.21Å | |
| CG2 | HG21 | sing | 1.08Å | 1.08Å | |
| C42 | CH2 | sing | 1.53Å | 1.50Å | |
| C42 | O42 | sing | 1.44Å | 1.42Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| CH2 | HH21 | sing | 1.09Å | 1.10Å | |
| CH2 | HH22 | sing | 1.09Å | 1.10Å | |
| CH2 | HH23 | sing | 1.09Å | 1.10Å | |
| O13 | C13 | sing | 1.43Å | 1.38Å | |
| C13 | C23 | sing | 1.53Å | 1.51Å | |
| C13 | O53 | sing | 1.43Å | 1.35Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | N23 | sing | 1.47Å | 1.42Å | |
| C23 | C33 | sing | 1.53Å | 1.39Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N23 | CI3 | sing | 1.47Å | 1.45Å | |
| N23 | HN23 | sing | 1.01Å | 1.00Å | |
| CI3 | HI31 | sing | 1.09Å | 1.10Å | |
| CI3 | HI32 | sing | 1.09Å | 1.10Å | |
| CI3 | HI33 | sing | 1.09Å | 1.10Å | |
| C33 | O33 | sing | 1.43Å | 1.41Å | |
| C33 | C43 | sing | 1.53Å | 1.51Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C43 | O43 | sing | 1.43Å | 1.40Å | |
| C43 | C53 | sing | 1.53Å | 1.49Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å | |
| C53 | O53 | sing | 1.43Å | 1.40Å | |
| C53 | C63 | sing | 1.53Å | 1.54Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C63 | O63 | sing | 1.43Å | 1.42Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| O63 | HO63 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C11 | C21 | 110.1° | 109.5° |
| N11 | C11 | C61 | 109.5° | 109.5° |
| N11 | C11 | H11 | 108.9° | 109.5° |
| C11 | N11 | CA1 | 112.6° | 120.0° |
| C11 | N11 | HN11 | 123.7° | 120.0° |
| C21 | C11 | C61 | 109.2° | 109.5° |
| C21 | C11 | H11 | 109.3° | 109.5° |
| C11 | C21 | O21 | 107.1° | 109.5° |
| C11 | C21 | C31 | 112.4° | 109.5° |
| C11 | C21 | H21 | 108.4° | 109.5° |
| C61 | C11 | H11 | 109.8° | 109.4° |
| C11 | C61 | C51 | 109.6° | 109.5° |
| C11 | C61 | O61 | 109.0° | 109.5° |
| C11 | C61 | H61 | 109.9° | 109.5° |
| CA1 | N11 | HN11 | 123.7° | 120.0° |
| N11 | CA1 | NB1 | 115.5° | 120.0° |
| N11 | CA1 | NC1 | 122.0° | 120.0° |
| NB1 | CA1 | NC1 | 122.4° | 120.0° |
| CA1 | NB1 | HB11 | 110.7° | 120.0° |
| CA1 | NB1 | HB12 | 124.7° | 120.0° |
| CA1 | NC1 | HC11 | 110.6° | 120.0° |
| HB11 | NB1 | HB12 | 124.7° | 120.0° |
| O21 | C21 | C31 | 107.3° | 109.4° |
| O21 | C21 | H21 | 113.4° | 109.5° |
| C21 | O21 | HO21 | 109.5° | 114.0° |
| C31 | C21 | H21 | 108.3° | 109.5° |
| C21 | C31 | N31 | 113.8° | 109.5° |
| C21 | C31 | C41 | 108.1° | 109.4° |
| C21 | C31 | H31 | 107.4° | 109.5° |
| N31 | C31 | C41 | 109.1° | 109.5° |
| N31 | C31 | H31 | 106.3° | 109.5° |
| C31 | N31 | CD1 | 111.6° | 120.0° |
| C31 | N31 | HN31 | 124.2° | 120.0° |
| C41 | C31 | H31 | 112.3° | 109.5° |
| C31 | C41 | O41 | 107.8° | 109.4° |
| C31 | C41 | C51 | 110.2° | 109.5° |
| C31 | C41 | H41 | 110.6° | 109.5° |
| CD1 | N31 | HN31 | 124.2° | 120.0° |
| N31 | CD1 | NE1 | 125.0° | 120.0° |
| N31 | CD1 | NF1 | 115.2° | 120.0° |
| NE1 | CD1 | NF1 | 119.8° | 120.0° |
| CD1 | NE1 | HE11 | 112.7° | 120.0° |
| CD1 | NE1 | HE12 | 123.6° | 120.0° |
| CD1 | NF1 | HF11 | 112.6° | 120.1° |
| HE11 | NE1 | HE12 | 123.7° | 120.0° |
| O41 | C41 | C51 | 110.8° | 109.5° |
| O41 | C41 | H41 | 109.9° | 109.5° |
| C41 | O41 | C12 | 111.2° | 114.0° |
| C51 | C41 | H41 | 107.5° | 109.4° |
| C41 | C51 | O51 | 109.4° | 109.5° |
| C41 | C51 | C61 | 109.2° | 109.5° |
| C41 | C51 | H51 | 109.7° | 109.4° |
| O41 | C12 | C22 | 105.0° | 110.4° |
| O41 | C12 | O42 | 106.8° | 110.4° |
| O41 | C12 | H12 | 113.4° | 110.4° |
| O51 | C51 | C61 | 109.4° | 109.5° |
| O51 | C51 | H51 | 109.5° | 109.5° |
| C51 | O51 | HO51 | 109.5° | 114.0° |
| C61 | C51 | H51 | 109.7° | 109.5° |
| C51 | C61 | O61 | 110.1° | 109.4° |
| C51 | C61 | H61 | 108.8° | 109.5° |
| O61 | C61 | H61 | 109.5° | 109.5° |
| C61 | O61 | HO61 | 109.5° | 114.0° |
| C22 | C12 | O42 | 107.7° | 104.8° |
| C22 | C12 | H12 | 112.6° | 110.4° |
| C12 | C22 | C32 | 101.1° | 104.1° |
| C12 | C22 | O13 | 110.5° | 110.5° |
| C12 | C22 | H22 | 118.9° | 110.5° |
| O42 | C12 | H12 | 111.0° | 110.4° |
| C12 | O42 | C42 | 104.3° | 105.3° |
| C32 | C22 | O13 | 120.7° | 110.5° |
| C32 | C22 | H22 | 108.4° | 110.6° |
| C22 | C32 | O32 | 107.2° | 110.5° |
| C22 | C32 | CG2 | 109.0° | 110.5° |
| C22 | C32 | C42 | 108.7° | 104.1° |
| O13 | C22 | H22 | 98.4° | 110.5° |
| C22 | O13 | C13 | 112.7° | 114.0° |
| O32 | C32 | CG2 | 112.1° | 110.5° |
| O32 | C32 | C42 | 108.4° | 110.5° |
| C32 | O32 | HO32 | 109.5° | 114.0° |
| CG2 | C32 | C42 | 111.2° | 110.6° |
| C32 | CG2 | OG2 | 124.9° | 120.0° |
| C32 | CG2 | HG21 | 117.5° | 120.0° |
| C32 | C42 | CH2 | 118.4° | 110.4° |
| C32 | C42 | O42 | 104.0° | 104.8° |
| C32 | C42 | H42 | 108.1° | 110.4° |
| OG2 | CG2 | HG21 | 117.6° | 119.9° |
| CH2 | C42 | O42 | 111.6° | 110.4° |
| CH2 | C42 | H42 | 99.9° | 110.3° |
| C42 | CH2 | HH21 | 109.5° | 109.4° |
| C42 | CH2 | HH22 | 109.5° | 109.5° |
| C42 | CH2 | HH23 | 109.5° | 109.4° |
| O42 | C42 | H42 | 115.3° | 110.4° |
| HH21 | CH2 | HH22 | 109.4° | 109.5° |
| HH21 | CH2 | HH23 | 109.4° | 109.5° |
| HH22 | CH2 | HH23 | 109.5° | 109.5° |
| O13 | C13 | C23 | 115.4° | 109.5° |
| O13 | C13 | O53 | 108.0° | 109.4° |
| O13 | C13 | H13 | 107.2° | 109.5° |
| C23 | C13 | O53 | 111.5° | 109.4° |
| C23 | C13 | H13 | 103.3° | 109.5° |
| C13 | C23 | N23 | 108.7° | 109.5° |
| C13 | C23 | C33 | 111.1° | 109.2° |
| C13 | C23 | H23 | 108.7° | 109.5° |
| O53 | C13 | H13 | 111.4° | 109.5° |
| C13 | O53 | C53 | 105.6° | 114.1° |
| N23 | C23 | C33 | 108.9° | 109.5° |
| N23 | C23 | H23 | 110.9° | 109.6° |
| C23 | N23 | CI3 | 107.1° | 111.0° |
| C23 | N23 | HN23 | 110.3° | 111.0° |
| C33 | C23 | H23 | 108.5° | 109.6° |
| C23 | C33 | O33 | 107.6° | 109.5° |
| C23 | C33 | C43 | 110.4° | 109.0° |
| C23 | C33 | H33 | 110.1° | 109.5° |
| CI3 | N23 | HN23 | 110.3° | 111.0° |
| N23 | CI3 | HI31 | 109.5° | 109.5° |
| N23 | CI3 | HI32 | 109.5° | 109.5° |
| N23 | CI3 | HI33 | 109.5° | 109.4° |
| HI31 | CI3 | HI32 | 109.4° | 109.5° |
| HI31 | CI3 | HI33 | 109.5° | 109.4° |
| HI32 | CI3 | HI33 | 109.5° | 109.5° |
| O33 | C33 | C43 | 109.5° | 109.6° |
| O33 | C33 | H33 | 111.0° | 109.6° |
| C33 | O33 | HO33 | 109.5° | 114.0° |
| C43 | C33 | H33 | 108.3° | 109.6° |
| C33 | C43 | O43 | 109.0° | 109.5° |
| C33 | C43 | C53 | 109.8° | 109.2° |
| C33 | C43 | H43 | 109.3° | 109.5° |
| O43 | C43 | C53 | 108.3° | 109.5° |
| O43 | C43 | H43 | 110.6° | 109.5° |
| C43 | O43 | HO43 | 109.5° | 114.0° |
| C53 | C43 | H43 | 109.9° | 109.6° |
| C43 | C53 | O53 | 107.8° | 109.4° |
| C43 | C53 | C63 | 111.3° | 109.5° |
| C43 | C53 | H53 | 108.8° | 109.5° |
| O53 | C53 | C63 | 107.7° | 109.4° |
| O53 | C53 | H53 | 112.4° | 109.5° |
| C63 | C53 | H53 | 108.9° | 109.5° |
| C53 | C63 | O63 | 109.2° | 109.5° |
| C53 | C63 | H631 | 109.5° | 109.5° |
| C53 | C63 | H632 | 109.6° | 109.4° |
| O63 | C63 | H631 | 109.6° | 109.5° |
| O63 | C63 | H632 | 109.6° | 109.5° |
| C63 | O63 | HO63 | 109.5° | 114.0° |
| H631 | C63 | H632 | 109.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C11 | C21 | C61 | 120.3° | 120.0° |
| N11 | C11 | C21 | H11 | 119.6° | 120.0° |
| N11 | C11 | C61 | H11 | 119.6° | 120.0° |
| C11 | N11 | CA1 | HN11 | 180.0° | 179.9° |
| C11 | N11 | CA1 | NB1 | 80.0° | 0.0° |
| C11 | N11 | CA1 | NC1 | 100.2° | 180.0° |
| N11 | C11 | C21 | O21 | 63.3° | 60.0° |
| N11 | C11 | C21 | C31 | 179.0° | 180.0° |
| N11 | C11 | C21 | H21 | 59.4° | 60.0° |
| N11 | C11 | C61 | C51 | 179.1° | 180.0° |
| N11 | C11 | C61 | O61 | 60.3° | 60.0° |
| N11 | C11 | C61 | H61 | 59.6° | 60.0° |
| C21 | C11 | C61 | H11 | 119.8° | 120.0° |
| C21 | C11 | N11 | CA1 | 136.6° | 155.0° |
| C21 | C11 | N11 | HN11 | 43.4° | 25.1° |
| C11 | C21 | O21 | C31 | 120.9° | 120.0° |
| C11 | C21 | O21 | H21 | 119.6° | 120.0° |
| C11 | C21 | C31 | H21 | 119.7° | 120.0° |
| C11 | C21 | O21 | HO21 | 108.8° | 60.0° |
| C11 | C21 | C31 | N31 | 179.8° | 180.0° |
| C11 | C21 | C31 | C41 | 58.4° | 60.0° |
| C11 | C21 | C31 | H31 | 62.9° | 60.0° |
| C21 | C11 | C61 | C51 | 58.5° | 60.0° |
| C21 | C11 | C61 | O61 | 179.0° | 180.0° |
| C21 | C11 | C61 | H61 | 61.0° | 60.0° |
| C61 | C11 | N11 | CA1 | 103.3° | 85.0° |
| C61 | C11 | N11 | HN11 | 76.6° | 95.0° |
| C61 | C11 | C21 | O21 | 176.4° | 180.0° |
| C61 | C11 | C21 | C31 | 58.8° | 60.0° |
| C61 | C11 | C21 | H21 | 60.9° | 60.0° |
| C11 | C61 | C51 | C41 | 60.2° | 60.0° |
| C11 | C61 | C51 | O51 | 179.8° | 180.0° |
| C11 | C61 | C51 | O61 | 119.9° | 120.0° |
| C11 | C61 | C51 | H61 | 120.2° | 120.0° |
| C11 | C61 | C51 | H51 | 60.1° | 60.0° |
| C11 | C61 | O61 | H61 | 120.2° | 120.0° |
| C11 | C61 | O61 | HO61 | 75.9° | 180.0° |
| H11 | C11 | N11 | CA1 | 16.8° | 35.0° |
| H11 | C11 | N11 | HN11 | 163.2° | 145.1° |
| H11 | C11 | C21 | O21 | 56.2° | 60.0° |
| H11 | C11 | C21 | C31 | 61.4° | 60.0° |
| H11 | C11 | C21 | H21 | 179.0° | 180.0° |
| H11 | C11 | C61 | C51 | 61.3° | 60.0° |
| H11 | C11 | C61 | O61 | 59.2° | 60.0° |
| H11 | C11 | C61 | H61 | 179.2° | 180.0° |
| N11 | CA1 | NB1 | NC1 | 179.7° | 180.0° |
| N11 | CA1 | NB1 | HB11 | 180.0° | 0.0° |
| N11 | CA1 | NB1 | HB12 | 0.1° | 180.0° |
| N11 | CA1 | NC1 | HC11 | 0.1° | 0.0° |
| HN11 | N11 | CA1 | NB1 | 100.0° | 180.0° |
| HN11 | N11 | CA1 | NC1 | 79.8° | 0.1° |
| CA1 | NB1 | HB11 | HB12 | 180.0° | 179.9° |
| NB1 | CA1 | NC1 | HC11 | 179.9° | 180.0° |
| NC1 | CA1 | NB1 | HB11 | 0.3° | 180.0° |
| NC1 | CA1 | NB1 | HB12 | 179.7° | 0.0° |
| O21 | C21 | C31 | H21 | 122.8° | 120.0° |
| O21 | C21 | C31 | N31 | 62.7° | 60.0° |
| O21 | C21 | C31 | C41 | 175.9° | 180.0° |
| O21 | C21 | C31 | H31 | 54.6° | 60.0° |
| C31 | C21 | O21 | HO21 | 130.3° | 180.0° |
| C21 | C31 | N31 | C41 | 120.8° | 120.0° |
| C21 | C31 | N31 | H31 | 117.9° | 120.0° |
| C21 | C31 | C41 | H31 | 118.2° | 120.0° |
| C21 | C31 | N31 | CD1 | 28.2° | 85.0° |
| C21 | C31 | N31 | HN31 | 151.8° | 95.0° |
| C21 | C31 | C41 | O41 | 179.8° | 180.0° |
| C21 | C31 | C41 | C51 | 58.7° | 60.0° |
| C21 | C31 | C41 | H41 | 59.9° | 60.0° |
| H21 | C21 | O21 | HO21 | 10.7° | 60.0° |
| H21 | C21 | C31 | N31 | 60.1° | 60.0° |
| H21 | C21 | C31 | C41 | 61.3° | 60.0° |
| H21 | C21 | C31 | H31 | 177.4° | 180.0° |
| N31 | C31 | C41 | H31 | 117.5° | 120.1° |
| C31 | N31 | CD1 | HN31 | 180.0° | 180.0° |
| C31 | N31 | CD1 | NE1 | 11.7° | 180.0° |
| C31 | N31 | CD1 | NF1 | 167.1° | 0.0° |
| N31 | C31 | C41 | O41 | 55.9° | 60.0° |
| N31 | C31 | C41 | C51 | 177.0° | 180.0° |
| N31 | C31 | C41 | H41 | 64.3° | 60.0° |
| C41 | C31 | N31 | CD1 | 92.6° | 155.0° |
| C41 | C31 | N31 | HN31 | 87.4° | 24.9° |
| C31 | C41 | O41 | C51 | 120.7° | 120.0° |
| C31 | C41 | O41 | H41 | 120.6° | 120.0° |
| C31 | C41 | C51 | H41 | 120.6° | 120.0° |
| C31 | C41 | O41 | C12 | 120.6° | 150.0° |
| C31 | C41 | C51 | O51 | 179.6° | 179.9° |
| C31 | C41 | C51 | C61 | 60.8° | 60.0° |
| C31 | C41 | C51 | H51 | 59.4° | 60.0° |
| H31 | C31 | N31 | CD1 | 146.1° | 35.0° |
| H31 | C31 | N31 | HN31 | 33.9° | 145.0° |
| H31 | C31 | C41 | O41 | 61.6° | 60.0° |
| H31 | C31 | C41 | C51 | 59.5° | 60.0° |
| H31 | C31 | C41 | H41 | 178.1° | 180.0° |
| N31 | CD1 | NE1 | NF1 | 178.7° | 180.0° |
| N31 | CD1 | NE1 | HE11 | 180.0° | 0.0° |
| N31 | CD1 | NE1 | HE12 | 0.0° | 180.0° |
| N31 | CD1 | NF1 | HF11 | 0.5° | 0.0° |
| HN31 | N31 | CD1 | NE1 | 168.4° | 0.0° |
| HN31 | N31 | CD1 | NF1 | 12.9° | 180.0° |
| CD1 | NE1 | HE11 | HE12 | 180.0° | 180.0° |
| NE1 | CD1 | NF1 | HF11 | 179.3° | 180.0° |
| NF1 | CD1 | NE1 | HE11 | 1.3° | 180.0° |
| NF1 | CD1 | NE1 | HE12 | 178.7° | 0.0° |
| O41 | C41 | C51 | H41 | 120.2° | 120.0° |
| O41 | C41 | C51 | O51 | 60.3° | 60.0° |
| O41 | C41 | C51 | C61 | 179.9° | 180.0° |
| O41 | C41 | C51 | H51 | 59.8° | 60.0° |
| C41 | O41 | C12 | C22 | 175.2° | 175.0° |
| C41 | O41 | C12 | O42 | 70.7° | 69.6° |
| C41 | O41 | C12 | H12 | 51.9° | 52.8° |
| C51 | C41 | O41 | C12 | 118.7° | 90.0° |
| C41 | C51 | O51 | C61 | 119.6° | 120.0° |
| C41 | C51 | O51 | H51 | 120.2° | 120.0° |
| C41 | C51 | C61 | H51 | 120.2° | 119.9° |
| C41 | C51 | O51 | HO51 | 106.7° | 180.0° |
| C41 | C51 | C61 | O61 | 180.0° | 180.0° |
| C41 | C51 | C61 | H61 | 60.0° | 60.1° |
| H41 | C41 | O41 | C12 | 0.0° | 30.0° |
| H41 | C41 | C51 | O51 | 59.9° | 60.0° |
| H41 | C41 | C51 | C61 | 59.8° | 60.0° |
| H41 | C41 | C51 | H51 | 180.0° | 180.0° |
| O41 | C12 | C22 | O42 | 113.5° | 118.8° |
| O41 | C12 | C22 | H12 | 123.9° | 122.3° |
| O41 | C12 | O42 | H12 | 124.1° | 122.3° |
| O41 | C12 | C22 | C32 | 95.4° | 94.8° |
| O41 | C12 | C22 | O13 | 135.7° | 146.5° |
| O41 | C12 | C22 | H22 | 23.0° | 23.9° |
| O41 | C12 | O42 | C42 | 77.0° | 78.3° |
| O51 | C51 | C61 | H51 | 120.1° | 120.0° |
| O51 | C51 | C61 | O61 | 60.3° | 60.0° |
| O51 | C51 | C61 | H61 | 59.6° | 60.0° |
| C61 | C51 | O51 | HO51 | 133.7° | 59.9° |
| C51 | C61 | O61 | H61 | 119.5° | 120.0° |
| C51 | C61 | O61 | HO61 | 44.4° | 60.0° |
| H51 | C51 | O51 | HO51 | 13.5° | 60.1° |
| H51 | C51 | C61 | O61 | 59.8° | 60.0° |
| H51 | C51 | C61 | H61 | 179.8° | 180.0° |
| H61 | C61 | O61 | HO61 | 163.9° | 60.0° |
| C22 | C12 | O42 | H12 | 123.6° | 118.9° |
| C12 | C22 | C32 | O13 | 122.1° | 118.6° |
| C12 | C22 | C32 | H22 | 125.7° | 118.7° |
| C12 | C22 | O13 | H22 | 125.3° | 122.6° |
| C12 | C22 | C32 | O32 | 111.8° | 118.6° |
| C12 | C22 | C32 | CG2 | 126.6° | 118.8° |
| C12 | C22 | C32 | C42 | 5.3° | 0.0° |
| C22 | C12 | O42 | C42 | 35.3° | 40.5° |
| C12 | C22 | O13 | C13 | 56.6° | 96.2° |
| O42 | C12 | C22 | C32 | 18.1° | 24.0° |
| O42 | C12 | C22 | O13 | 110.8° | 94.7° |
| O42 | C12 | C22 | H22 | 136.5° | 142.7° |
| C12 | O42 | C42 | C32 | 37.5° | 40.5° |
| C12 | O42 | C42 | CH2 | 166.3° | 159.4° |
| C12 | O42 | C42 | H42 | 80.6° | 78.4° |
| H12 | C12 | C22 | C32 | 140.8° | 142.9° |
| H12 | C12 | C22 | O13 | 11.8° | 24.2° |
| H12 | C12 | C22 | H22 | 100.9° | 98.4° |
| H12 | C12 | O42 | C42 | 158.9° | 159.4° |
| C32 | C22 | O13 | H22 | 117.3° | 122.7° |
| C22 | C32 | O32 | CG2 | 119.6° | 122.6° |
| C22 | C32 | O32 | C42 | 117.2° | 114.6° |
| C22 | C32 | CG2 | C42 | 119.8° | 114.7° |
| C22 | C32 | O32 | HO32 | 32.4° | 180.0° |
| C22 | C32 | CG2 | OG2 | 177.1° | 120.0° |
| C22 | C32 | CG2 | HG21 | 3.0° | 60.0° |
| C22 | C32 | C42 | CH2 | 151.0° | 142.8° |
| C22 | C32 | C42 | O42 | 26.5° | 23.9° |
| C22 | C32 | C42 | H42 | 96.6° | 94.9° |
| C32 | C22 | O13 | C13 | 174.1° | 149.1° |
| O13 | C22 | C32 | O32 | 10.4° | 0.0° |
| O13 | C22 | C32 | CG2 | 111.2° | 122.6° |
| O13 | C22 | C32 | C42 | 127.4° | 118.6° |
| C22 | O13 | C13 | C23 | 103.6° | 164.9° |
| C22 | O13 | C13 | O53 | 131.0° | 75.2° |
| C22 | O13 | C13 | H13 | 10.9° | 44.8° |
| H22 | C22 | C32 | O32 | 122.5° | 122.7° |
| H22 | C22 | C32 | CG2 | 0.9° | 0.1° |
| H22 | C22 | C32 | C42 | 120.5° | 118.7° |
| H22 | C22 | O13 | C13 | 68.6° | 26.4° |
| O32 | C32 | CG2 | C42 | 121.6° | 122.6° |
| O32 | C32 | CG2 | OG2 | 64.4° | 117.4° |
| O32 | C32 | CG2 | HG21 | 115.6° | 62.7° |
| O32 | C32 | C42 | CH2 | 34.7° | 24.2° |
| O32 | C32 | C42 | O42 | 89.8° | 94.7° |
| O32 | C32 | C42 | H42 | 147.1° | 146.4° |
| CG2 | C32 | O32 | HO32 | 152.1° | 57.3° |
| C32 | CG2 | OG2 | HG21 | 180.0° | 180.0° |
| CG2 | C32 | C42 | CH2 | 89.0° | 98.4° |
| CG2 | C32 | C42 | O42 | 146.5° | 142.7° |
| CG2 | C32 | C42 | H42 | 23.4° | 23.8° |
| C42 | C32 | O32 | HO32 | 84.8° | 65.4° |
| C42 | C32 | CG2 | OG2 | 57.2° | 5.2° |
| C42 | C32 | CG2 | HG21 | 122.8° | 174.7° |
| C32 | C42 | CH2 | O42 | 120.7° | 115.4° |
| C32 | C42 | CH2 | H42 | 116.8° | 122.3° |
| C32 | C42 | O42 | H42 | 118.2° | 118.9° |
| C32 | C42 | CH2 | HH21 | 68.4° | 60.0° |
| C32 | C42 | CH2 | HH22 | 171.6° | 180.0° |
| C32 | C42 | CH2 | HH23 | 51.5° | 60.0° |
| CH2 | C42 | O42 | H42 | 113.1° | 122.2° |
| C42 | CH2 | HH21 | HH22 | 120.0° | 120.0° |
| C42 | CH2 | HH21 | HH23 | 120.0° | 119.9° |
| C42 | CH2 | HH22 | HH23 | 120.0° | 120.0° |
| O42 | C42 | CH2 | HH21 | 170.9° | 175.4° |
| O42 | C42 | CH2 | HH22 | 50.9° | 64.6° |
| O42 | C42 | CH2 | HH23 | 69.2° | 55.4° |
| H42 | C42 | CH2 | HH21 | 48.4° | 62.3° |
| H42 | C42 | CH2 | HH22 | 71.6° | 57.7° |
| H42 | C42 | CH2 | HH23 | 168.4° | 177.7° |
| HH21 | CH2 | HH22 | HH23 | 120.0° | 120.0° |
| O13 | C13 | C23 | O53 | 123.6° | 119.9° |
| O13 | C13 | C23 | H13 | 116.6° | 120.1° |
| O13 | C13 | O53 | H13 | 117.4° | 120.0° |
| O13 | C13 | C23 | N23 | 55.0° | 57.6° |
| O13 | C13 | C23 | C33 | 64.8° | 62.3° |
| O13 | C13 | C23 | H23 | 175.8° | 177.7° |
| O13 | C13 | O53 | C53 | 59.9° | 58.8° |
| C23 | C13 | O53 | H13 | 114.9° | 120.0° |
| C13 | C23 | N23 | C33 | 121.2° | 119.7° |
| C13 | C23 | N23 | H23 | 119.5° | 120.1° |
| C13 | C23 | C33 | H23 | 119.5° | 120.0° |
| C13 | C23 | N23 | CI3 | 92.9° | 85.0° |
| C13 | C23 | N23 | HN23 | 27.1° | 39.0° |
| C13 | C23 | C33 | O33 | 167.2° | 176.9° |
| C13 | C23 | C33 | C43 | 47.7° | 57.0° |
| C13 | C23 | C33 | H33 | 71.7° | 62.9° |
| C23 | C13 | O53 | C53 | 67.9° | 61.2° |
| O53 | C13 | C23 | N23 | 178.6° | 177.5° |
| O53 | C13 | C23 | C33 | 58.8° | 57.6° |
| O53 | C13 | C23 | H23 | 60.5° | 62.4° |
| C13 | O53 | C53 | C43 | 69.6° | 61.2° |
| C13 | O53 | C53 | C63 | 170.2° | 178.9° |
| C13 | O53 | C53 | H53 | 50.3° | 58.8° |
| H13 | C13 | C23 | N23 | 61.6° | 62.5° |
| H13 | C13 | C23 | C33 | 178.5° | 177.6° |
| H13 | C13 | C23 | H23 | 59.2° | 57.6° |
| H13 | C13 | O53 | C53 | 177.3° | 178.8° |
| N23 | C23 | C33 | H23 | 120.8° | 120.2° |
| C23 | N23 | CI3 | HN23 | 120.0° | 124.0° |
| C23 | N23 | CI3 | HI31 | 164.1° | 60.0° |
| C23 | N23 | CI3 | HI32 | 75.9° | 60.0° |
| C23 | N23 | CI3 | HI33 | 44.1° | 180.0° |
| N23 | C23 | C33 | O33 | 73.1° | 63.3° |
| N23 | C23 | C33 | C43 | 167.4° | 176.8° |
| N23 | C23 | C33 | H33 | 47.9° | 56.9° |
| C33 | C23 | N23 | CI3 | 145.9° | 155.3° |
| C33 | C23 | N23 | HN23 | 94.1° | 80.7° |
| C23 | C33 | O33 | C43 | 120.0° | 119.5° |
| C23 | C33 | O33 | H33 | 120.5° | 120.2° |
| C23 | C33 | C43 | H33 | 120.6° | 119.9° |
| C23 | C33 | O33 | HO33 | 91.8° | 180.0° |
| C23 | C33 | C43 | O43 | 169.4° | 176.9° |
| C23 | C33 | C43 | C53 | 51.0° | 57.0° |
| C23 | C33 | C43 | H43 | 69.6° | 63.0° |
| H23 | C23 | N23 | CI3 | 26.6° | 35.1° |
| H23 | C23 | N23 | HN23 | 146.6° | 159.1° |
| H23 | C23 | C33 | O33 | 47.7° | 56.9° |
| H23 | C23 | C33 | C43 | 71.7° | 63.0° |
| H23 | C23 | C33 | H33 | 168.8° | 177.1° |
| N23 | CI3 | HI31 | HI32 | 120.0° | 120.0° |
| N23 | CI3 | HI31 | HI33 | 120.0° | 119.9° |
| N23 | CI3 | HI32 | HI33 | 120.0° | 120.0° |
| HN23 | N23 | CI3 | HI31 | 44.1° | 176.0° |
| HN23 | N23 | CI3 | HI32 | 164.1° | 64.0° |
| HN23 | N23 | CI3 | HI33 | 75.9° | 56.0° |
| HI31 | CI3 | HI32 | HI33 | 120.0° | 120.0° |
| O33 | C33 | C43 | H33 | 121.1° | 120.3° |
| O33 | C33 | C43 | O43 | 72.2° | 63.2° |
| O33 | C33 | C43 | C53 | 169.3° | 176.9° |
| O33 | C33 | C43 | H43 | 48.7° | 56.9° |
| C43 | C33 | O33 | HO33 | 28.2° | 60.4° |
| C33 | C43 | O43 | C53 | 119.4° | 119.7° |
| C33 | C43 | O43 | H43 | 120.1° | 120.1° |
| C33 | C43 | C53 | H43 | 120.2° | 119.9° |
| C33 | C43 | O43 | HO43 | 145.3° | 180.0° |
| C33 | C43 | C53 | O53 | 61.3° | 57.6° |
| C33 | C43 | C53 | C63 | 179.2° | 177.6° |
| C33 | C43 | C53 | H53 | 60.8° | 62.3° |
| H33 | C33 | O33 | HO33 | 147.6° | 59.8° |
| H33 | C33 | C43 | O43 | 48.9° | 57.1° |
| H33 | C33 | C43 | C53 | 69.6° | 62.9° |
| H33 | C33 | C43 | H43 | 169.8° | 177.2° |
| O43 | C43 | C53 | H43 | 121.0° | 120.1° |
| O43 | C43 | C53 | O53 | 179.8° | 177.5° |
| O43 | C43 | C53 | C63 | 62.0° | 62.5° |
| O43 | C43 | C53 | H53 | 58.1° | 57.6° |
| C53 | C43 | O43 | HO43 | 95.4° | 60.3° |
| C43 | C53 | O53 | C63 | 120.2° | 119.9° |
| C43 | C53 | O53 | H53 | 119.8° | 120.0° |
| C43 | C53 | C63 | H53 | 119.9° | 120.1° |
| C43 | C53 | C63 | O63 | 33.7° | 175.0° |
| C43 | C53 | C63 | H631 | 86.3° | 65.0° |
| C43 | C53 | C63 | H632 | 153.8° | 55.1° |
| H43 | C43 | O43 | HO43 | 25.1° | 59.9° |
| H43 | C43 | C53 | O53 | 58.9° | 62.3° |
| H43 | C43 | C53 | C63 | 59.0° | 57.6° |
| H43 | C43 | C53 | H53 | 179.0° | 177.7° |
| O53 | C53 | C63 | H53 | 122.1° | 120.0° |
| O53 | C53 | C63 | O63 | 84.2° | 65.1° |
| O53 | C53 | C63 | H631 | 155.8° | 54.9° |
| O53 | C53 | C63 | H632 | 35.9° | 174.9° |
| C53 | C63 | O63 | H631 | 120.0° | 120.1° |
| C53 | C63 | O63 | H632 | 120.1° | 120.0° |
| C53 | C63 | H631 | H632 | 120.1° | 120.0° |
| C53 | C63 | O63 | HO63 | 151.3° | 179.9° |
| H53 | C53 | C63 | O63 | 153.7° | 54.9° |
| H53 | C53 | C63 | H631 | 33.7° | 175.0° |
| H53 | C53 | C63 | H632 | 86.2° | 65.0° |
| O63 | C63 | H631 | H632 | 120.1° | 120.0° |
| H631 | C63 | O63 | HO63 | 88.7° | 60.0° |
| H632 | C63 | O63 | HO63 | 31.2° | 59.9° |
