Obsolete: NYT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O5 | sing | 1.43Å | 1.40Å | |
| O1 | C21 | sing | 1.43Å | 1.39Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C11 | C21 | sing | 1.53Å | 1.54Å | |
| C11 | O11 | sing | 1.43Å | 1.43Å | |
| O11 | C22 | sing | 1.43Å | 1.42Å | |
| C12 | O12 | sing | 1.43Å | 1.43Å | |
| C12 | C22 | sing | 1.53Å | 1.53Å | |
| O12 | C23 | sing | 1.43Å | 1.43Å | |
| C13 | O13 | sing | 1.43Å | 1.42Å | |
| C13 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | O21 | sing | 1.43Å | 1.42Å | |
| C21 | C31 | sing | 1.54Å | 1.56Å | |
| O21 | C51 | sing | 1.44Å | 1.45Å | |
| C22 | O22 | sing | 1.43Å | 1.44Å | |
| C22 | C32 | sing | 1.54Å | 1.49Å | |
| O22 | C52 | sing | 1.44Å | 1.43Å | |
| C23 | O23 | sing | 1.43Å | 1.40Å | |
| C23 | C33 | sing | 1.54Å | 1.52Å | |
| O23 | C53 | sing | 1.44Å | 1.42Å | |
| C31 | C41 | sing | 1.55Å | 1.54Å | |
| C31 | O31 | sing | 1.43Å | 1.45Å | |
| C32 | O32 | sing | 1.43Å | 1.42Å | |
| C32 | C42 | sing | 1.55Å | 1.51Å | |
| C33 | C43 | sing | 1.55Å | 1.49Å | |
| C33 | O33 | sing | 1.43Å | 1.42Å | |
| C41 | O41 | sing | 1.43Å | 1.46Å | |
| C41 | C51 | sing | 1.55Å | 1.55Å | |
| C42 | C52 | sing | 1.55Å | 1.52Å | |
| C42 | O42 | sing | 1.43Å | 1.41Å | |
| C43 | O43 | sing | 1.43Å | 1.44Å | |
| C43 | C53 | sing | 1.55Å | 1.51Å | |
| C51 | C61 | sing | 1.53Å | 1.52Å | |
| C52 | C62 | sing | 1.53Å | 1.53Å | |
| C53 | C63 | sing | 1.53Å | 1.53Å | |
| C61 | O61 | sing | 1.43Å | 1.41Å | |
| C62 | O62 | sing | 1.43Å | 1.43Å | |
| C63 | O63 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| O42 | HO42 | sing | 0.97Å | 0.95Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H61A | sing | 1.09Å | 1.10Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H62A | sing | 1.09Å | 1.10Å | |
| O62 | HO62 | sing | 0.97Å | 0.95Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C63 | H63A | 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) |
| O1 | C1 | C2 | 108.9° | 109.5° |
| O1 | C1 | O5 | 105.1° | 109.5° |
| C1 | O1 | C21 | 118.5° | 114.0° |
| O1 | C1 | H1 | 110.4° | 109.4° |
| C2 | C1 | O5 | 112.7° | 109.4° |
| C1 | C2 | C3 | 109.4° | 109.2° |
| C1 | C2 | O2 | 107.9° | 109.6° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C1 | C2 | H2 | 109.6° | 109.5° |
| C1 | O5 | C5 | 117.1° | 114.1° |
| O5 | C1 | H1 | 110.7° | 109.5° |
| O1 | C21 | C11 | 113.9° | 109.8° |
| O1 | C21 | O21 | 104.9° | 109.8° |
| O1 | C21 | C31 | 107.8° | 109.9° |
| C3 | C2 | O2 | 109.8° | 109.5° |
| C2 | C3 | O3 | 114.0° | 109.6° |
| C2 | C3 | C4 | 109.3° | 109.0° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| O2 | C2 | H2 | 110.6° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| O3 | C3 | C4 | 105.8° | 109.6° |
| O3 | C3 | H3 | 110.1° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 107.0° | 109.5° |
| C3 | C4 | C5 | 109.6° | 109.2° |
| C4 | C3 | H3 | 108.7° | 109.6° |
| C3 | C4 | H4 | 109.2° | 109.6° |
| O4 | C4 | C5 | 111.8° | 109.5° |
| O4 | C4 | H4 | 110.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 113.9° |
| C4 | C5 | C6 | 113.0° | 109.5° |
| C4 | C5 | O5 | 111.7° | 109.4° |
| C5 | C4 | H4 | 109.1° | 109.6° |
| C4 | C5 | H5 | 107.5° | 109.5° |
| C6 | C5 | O5 | 108.4° | 109.5° |
| C5 | C6 | O6 | 112.4° | 109.5° |
| C6 | C5 | H5 | 107.5° | 109.5° |
| C5 | C6 | H6A | 108.7° | 109.5° |
| C5 | C6 | H6 | 108.7° | 109.5° |
| O5 | C5 | H5 | 108.5° | 109.5° |
| O6 | C6 | H6A | 108.8° | 109.4° |
| O6 | C6 | H6 | 108.7° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C21 | C11 | O11 | 108.0° | 109.5° |
| C11 | C21 | O21 | 107.9° | 109.8° |
| C11 | C21 | C31 | 114.1° | 109.8° |
| C21 | C11 | H11 | 109.8° | 109.5° |
| C21 | C11 | H11A | 109.8° | 109.4° |
| C11 | O11 | C22 | 116.3° | 114.0° |
| O11 | C11 | H11 | 109.8° | 109.5° |
| O11 | C11 | H11A | 109.8° | 109.4° |
| O11 | C22 | C12 | 111.5° | 109.8° |
| O11 | C22 | O22 | 113.6° | 109.8° |
| O11 | C22 | C32 | 107.1° | 109.8° |
| O12 | C12 | C22 | 114.9° | 109.5° |
| C12 | O12 | C23 | 115.9° | 114.0° |
| O12 | C12 | H12 | 108.1° | 109.4° |
| O12 | C12 | H12A | 108.1° | 109.5° |
| C12 | C22 | O22 | 107.6° | 109.8° |
| C12 | C22 | C32 | 112.5° | 109.9° |
| C22 | C12 | H12 | 108.1° | 109.5° |
| C22 | C12 | H12A | 108.1° | 109.5° |
| O12 | C23 | C13 | 112.4° | 109.9° |
| O12 | C23 | O23 | 110.8° | 109.8° |
| O12 | C23 | C33 | 107.4° | 109.8° |
| O13 | C13 | C23 | 110.1° | 109.4° |
| O13 | C13 | H13 | 109.3° | 109.5° |
| O13 | C13 | H13A | 109.3° | 109.4° |
| C13 | O13 | HO13 | 109.5° | 114.0° |
| C13 | C23 | O23 | 106.6° | 109.8° |
| C13 | C23 | C33 | 114.9° | 109.8° |
| C23 | C13 | H13 | 109.3° | 109.5° |
| C23 | C13 | H13A | 109.3° | 109.5° |
| O21 | C21 | C31 | 107.7° | 107.7° |
| C21 | O21 | C51 | 108.2° | 109.9° |
| C21 | C31 | C41 | 103.5° | 102.3° |
| C21 | C31 | O31 | 115.9° | 110.8° |
| C21 | C31 | H31 | 107.9° | 110.8° |
| O21 | C51 | C41 | 108.1° | 105.1° |
| O21 | C51 | C61 | 111.4° | 110.3° |
| O21 | C51 | H51 | 108.2° | 110.3° |
| O22 | C22 | C32 | 104.4° | 107.7° |
| C22 | O22 | C52 | 111.4° | 110.0° |
| C22 | C32 | O32 | 106.8° | 110.9° |
| C22 | C32 | C42 | 103.3° | 102.3° |
| C22 | C32 | H32 | 111.1° | 110.8° |
| O22 | C52 | C42 | 105.1° | 105.1° |
| O22 | C52 | C62 | 110.2° | 110.3° |
| O22 | C52 | H52 | 111.5° | 110.3° |
| O23 | C23 | C33 | 104.5° | 107.7° |
| C23 | O23 | C53 | 109.9° | 109.9° |
| C23 | C33 | C43 | 101.2° | 102.3° |
| C23 | C33 | O33 | 113.2° | 110.8° |
| C23 | C33 | H33 | 109.9° | 110.9° |
| O23 | C53 | C43 | 105.7° | 105.2° |
| O23 | C53 | C63 | 110.2° | 110.3° |
| O23 | C53 | H53 | 109.7° | 110.3° |
| C41 | C31 | O31 | 111.9° | 110.8° |
| C31 | C41 | O41 | 114.3° | 111.1° |
| C31 | C41 | C51 | 99.4° | 100.9° |
| C41 | C31 | H31 | 108.1° | 110.8° |
| C31 | C41 | H41 | 108.9° | 111.1° |
| O31 | C31 | H31 | 109.2° | 110.9° |
| C31 | O31 | HO31 | 109.5° | 114.0° |
| O32 | C32 | C42 | 112.3° | 110.8° |
| O32 | C32 | H32 | 112.2° | 110.8° |
| C32 | O32 | HO32 | 109.5° | 114.0° |
| C32 | C42 | C52 | 102.9° | 100.9° |
| C32 | C42 | O42 | 112.6° | 111.2° |
| C42 | C32 | H32 | 110.8° | 111.0° |
| C32 | C42 | H42 | 109.9° | 111.1° |
| C43 | C33 | O33 | 110.3° | 110.9° |
| C33 | C43 | O43 | 114.0° | 111.2° |
| C33 | C43 | C53 | 100.2° | 100.9° |
| C43 | C33 | H33 | 110.3° | 110.8° |
| C33 | C43 | H43 | 109.8° | 111.1° |
| O33 | C33 | H33 | 111.4° | 110.9° |
| C33 | O33 | HO33 | 109.5° | 114.0° |
| O41 | C41 | C51 | 114.9° | 111.2° |
| O41 | C41 | H41 | 110.0° | 111.0° |
| C41 | O41 | HO41 | 109.5° | 113.9° |
| C41 | C51 | C61 | 114.7° | 110.4° |
| C51 | C41 | H41 | 108.8° | 111.1° |
| C41 | C51 | H51 | 107.0° | 110.2° |
| C52 | C42 | O42 | 109.8° | 111.2° |
| C42 | C52 | C62 | 109.7° | 110.4° |
| C52 | C42 | H42 | 109.8° | 111.1° |
| C42 | C52 | H52 | 110.2° | 110.2° |
| O42 | C42 | H42 | 111.5° | 111.0° |
| C42 | O42 | HO42 | 109.5° | 114.0° |
| O43 | C43 | C53 | 112.5° | 111.2° |
| O43 | C43 | H43 | 110.5° | 111.0° |
| C43 | O43 | HO43 | 109.5° | 114.1° |
| C43 | C53 | C63 | 114.5° | 110.4° |
| C53 | C43 | H43 | 109.5° | 111.1° |
| C43 | C53 | H53 | 108.4° | 110.3° |
| C51 | C61 | O61 | 105.7° | 109.5° |
| C61 | C51 | H51 | 107.2° | 110.3° |
| C51 | C61 | H61 | 110.4° | 109.5° |
| C51 | C61 | H61A | 110.4° | 109.5° |
| C52 | C62 | O62 | 109.3° | 109.4° |
| C62 | C52 | H52 | 110.0° | 110.4° |
| C52 | C62 | H62 | 109.5° | 109.5° |
| C52 | C62 | H62A | 109.5° | 109.5° |
| C53 | C63 | O63 | 109.1° | 109.5° |
| C63 | C53 | H53 | 108.2° | 110.3° |
| C53 | C63 | H63 | 109.6° | 109.5° |
| C53 | C63 | H63A | 109.5° | 109.4° |
| O61 | C61 | H61 | 110.4° | 109.4° |
| O61 | C61 | H61A | 110.4° | 109.5° |
| C61 | O61 | HO61 | 109.5° | 114.0° |
| O62 | C62 | H62 | 109.5° | 109.5° |
| O62 | C62 | H62A | 109.5° | 109.4° |
| C62 | O62 | HO62 | 109.5° | 114.0° |
| O63 | C63 | H63 | 109.6° | 109.5° |
| O63 | C63 | H63A | 109.6° | 109.4° |
| C63 | O63 | HO63 | 109.5° | 114.0° |
| H6A | C6 | H6 | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H61 | C61 | H61A | 109.5° | 109.4° |
| H62 | C62 | H62A | 109.5° | 109.5° |
| H63 | C63 | H63A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 116.2° | 120.0° |
| O1 | C1 | C2 | H1 | 120.5° | 120.0° |
| O1 | C1 | O5 | H1 | 119.1° | 120.0° |
| O1 | C1 | C2 | C3 | 61.6° | 62.4° |
| O1 | C1 | C2 | O2 | 57.9° | 57.5° |
| O1 | C1 | O5 | C5 | 67.2° | 58.8° |
| C1 | O1 | C21 | C11 | 58.5° | 55.3° |
| C1 | O1 | C21 | O21 | 59.3° | 65.5° |
| C1 | O1 | C21 | C31 | 173.9° | 176.2° |
| O1 | C1 | C2 | H2 | 178.3° | 177.8° |
| C2 | C1 | O5 | H1 | 122.4° | 120.0° |
| C2 | C1 | O1 | C21 | 145.5° | 168.7° |
| C1 | C2 | C3 | O2 | 118.2° | 120.0° |
| C1 | C2 | C3 | H2 | 120.1° | 119.9° |
| C1 | C2 | O2 | H2 | 119.8° | 120.2° |
| C1 | C2 | C3 | O3 | 176.7° | 176.8° |
| C1 | C2 | C3 | C4 | 58.6° | 56.9° |
| C2 | C1 | O5 | C5 | 51.2° | 61.2° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 60.0° | 63.0° |
| O5 | C1 | O1 | C21 | 93.6° | 71.4° |
| O5 | C1 | C2 | C3 | 54.6° | 57.6° |
| O5 | C1 | C2 | O2 | 174.0° | 177.5° |
| C1 | O5 | C5 | C4 | 49.8° | 61.2° |
| C1 | O5 | C5 | C6 | 175.0° | 178.9° |
| O5 | C1 | C2 | H2 | 65.5° | 62.3° |
| C1 | O5 | C5 | H5 | 68.5° | 58.9° |
| O1 | C21 | C11 | O21 | 116.1° | 120.9° |
| O1 | C21 | C11 | C31 | 124.3° | 120.9° |
| O1 | C21 | C11 | O11 | 179.5° | 66.9° |
| O1 | C21 | O21 | C31 | 114.6° | 119.6° |
| O1 | C21 | O21 | C51 | 113.8° | 121.2° |
| O1 | C21 | C31 | C41 | 89.9° | 98.1° |
| O1 | C21 | C31 | O31 | 33.0° | 20.1° |
| C21 | O1 | C1 | H1 | 25.8° | 48.7° |
| O1 | C21 | C11 | H11 | 60.7° | 173.1° |
| O1 | C21 | C11 | H11A | 59.8° | 53.1° |
| O1 | C21 | C31 | H31 | 155.8° | 143.7° |
| C3 | C2 | O2 | H2 | 121.0° | 120.1° |
| C2 | C3 | O3 | C4 | 120.1° | 119.5° |
| C2 | C3 | O3 | H3 | 122.6° | 120.2° |
| C2 | C3 | C4 | H3 | 118.7° | 119.8° |
| C2 | C3 | C4 | O4 | 179.1° | 176.8° |
| C2 | C3 | C4 | C5 | 57.7° | 57.0° |
| C3 | C2 | C1 | H1 | 177.9° | 177.6° |
| C3 | C2 | O2 | HO2 | 60.8° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | H4 | 61.7° | 63.0° |
| O2 | C2 | C3 | O3 | 65.0° | 63.2° |
| O2 | C2 | C3 | C4 | 176.8° | 176.9° |
| O2 | C2 | C1 | H1 | 62.6° | 62.5° |
| O2 | C2 | C3 | H3 | 58.2° | 57.0° |
| O3 | C3 | C4 | H3 | 118.2° | 120.3° |
| O3 | C3 | C4 | O4 | 57.8° | 63.3° |
| O3 | C3 | C4 | C5 | 179.1° | 176.9° |
| O3 | C3 | C2 | H2 | 56.6° | 56.9° |
| O3 | C3 | C4 | H4 | 61.4° | 56.9° |
| C3 | C4 | O4 | C5 | 120.0° | 119.7° |
| C3 | C4 | O4 | H4 | 118.6° | 120.2° |
| C3 | C4 | C5 | H4 | 119.5° | 120.0° |
| C3 | C4 | C5 | C6 | 174.4° | 177.6° |
| C3 | C4 | C5 | O5 | 51.8° | 57.7° |
| C4 | C3 | C2 | H2 | 61.5° | 63.0° |
| C4 | C3 | O3 | HO3 | 59.9° | 179.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | H5 | 67.1° | 62.4° |
| O4 | C4 | C5 | H4 | 122.1° | 120.1° |
| O4 | C4 | C5 | C6 | 67.2° | 62.5° |
| O4 | C4 | C5 | O5 | 170.2° | 177.5° |
| O4 | C4 | C3 | H3 | 60.4° | 57.0° |
| O4 | C4 | C5 | H5 | 51.3° | 57.5° |
| C4 | C5 | C6 | O5 | 124.4° | 119.9° |
| C4 | C5 | C6 | H5 | 118.5° | 120.0° |
| C4 | C5 | O5 | H5 | 118.3° | 120.0° |
| C4 | C5 | C6 | O6 | 26.6° | 176.7° |
| C5 | C4 | C3 | H3 | 60.9° | 62.9° |
| C5 | C4 | O4 | HO4 | 60.1° | 179.6° |
| C4 | C5 | C6 | H6A | 147.0° | 56.7° |
| C4 | C5 | C6 | H6 | 93.8° | 63.3° |
| C6 | C5 | O5 | H5 | 116.5° | 120.0° |
| C5 | C6 | O6 | H6A | 120.4° | 120.0° |
| C5 | C6 | O6 | H6 | 120.4° | 120.0° |
| C6 | C5 | C4 | H4 | 54.9° | 57.6° |
| C5 | C6 | H6A | H6 | 118.7° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 97.9° | 63.4° |
| C5 | O5 | C1 | H1 | 173.6° | 178.8° |
| O5 | C5 | C4 | H4 | 67.7° | 62.3° |
| O5 | C5 | C6 | H6A | 22.6° | 176.6° |
| O5 | C5 | C6 | H6 | 141.7° | 56.6° |
| O6 | C6 | C5 | H5 | 145.0° | 56.6° |
| O6 | C6 | H6A | H6 | 118.7° | 120.0° |
| C21 | C11 | O11 | H11 | 119.8° | 120.0° |
| C21 | C11 | O11 | H11A | 119.8° | 120.0° |
| C21 | C11 | O11 | C22 | 142.4° | 174.4° |
| C11 | C21 | O21 | C31 | 123.6° | 119.5° |
| C11 | C21 | O21 | C51 | 124.4° | 117.9° |
| C11 | C21 | C31 | C41 | 142.6° | 140.9° |
| C11 | C21 | C31 | O31 | 94.5° | 100.9° |
| C21 | C11 | H11 | H11A | 120.6° | 120.0° |
| C11 | C21 | C31 | H31 | 28.3° | 22.7° |
| C11 | O11 | C22 | C12 | 64.4° | 177.0° |
| O11 | C11 | C21 | O21 | 64.4° | 54.0° |
| O11 | C11 | C21 | C31 | 55.2° | 172.1° |
| C11 | O11 | C22 | O22 | 57.4° | 56.2° |
| C11 | O11 | C22 | C32 | 172.1° | 62.1° |
| O11 | C11 | H11 | H11A | 120.7° | 120.0° |
| O11 | C22 | C12 | O12 | 54.8° | 55.0° |
| O11 | C22 | C12 | O22 | 125.1° | 120.8° |
| O11 | C22 | C12 | C32 | 120.4° | 120.9° |
| O11 | C22 | O22 | C32 | 116.3° | 119.5° |
| O11 | C22 | O22 | C52 | 99.1° | 121.2° |
| O11 | C22 | C32 | O32 | 30.5° | 20.0° |
| O11 | C22 | C32 | C42 | 88.1° | 98.2° |
| C22 | O11 | C11 | H11 | 22.6° | 54.4° |
| C22 | O11 | C11 | H11A | 97.8° | 65.6° |
| O11 | C22 | C12 | H12 | 66.0° | 175.0° |
| O11 | C22 | C12 | H12A | 175.5° | 65.0° |
| O11 | C22 | C32 | H32 | 153.2° | 143.5° |
| O12 | C12 | C22 | H12 | 120.8° | 120.0° |
| O12 | C12 | C22 | H12A | 120.8° | 120.0° |
| C12 | O12 | C23 | C13 | 67.2° | 176.9° |
| O12 | C12 | C22 | O22 | 179.9° | 65.8° |
| O12 | C12 | C22 | C32 | 65.6° | 175.9° |
| C12 | O12 | C23 | O23 | 51.9° | 56.0° |
| C12 | O12 | C23 | C33 | 165.5° | 62.2° |
| O12 | C12 | H12 | H12A | 117.5° | 120.0° |
| C22 | C12 | O12 | C23 | 152.9° | 174.6° |
| C12 | C22 | O22 | C32 | 119.8° | 119.6° |
| C12 | C22 | O22 | C52 | 137.0° | 117.9° |
| C12 | C22 | C32 | O32 | 92.4° | 100.9° |
| C12 | C22 | C32 | C42 | 149.0° | 141.0° |
| C22 | C12 | H12 | H12A | 117.5° | 120.0° |
| C12 | C22 | C32 | H32 | 30.3° | 22.6° |
| O12 | C23 | C13 | O13 | 61.8° | 55.0° |
| O12 | C23 | C13 | O23 | 121.5° | 120.9° |
| O12 | C23 | C13 | C33 | 123.2° | 120.9° |
| O12 | C23 | O23 | C33 | 115.3° | 119.6° |
| O12 | C23 | O23 | C53 | 98.9° | 121.2° |
| O12 | C23 | C33 | C43 | 80.7° | 98.1° |
| O12 | C23 | C33 | O33 | 37.3° | 20.1° |
| C23 | O12 | C12 | H12 | 86.4° | 54.6° |
| C23 | O12 | C12 | H12A | 32.1° | 65.4° |
| O12 | C23 | C13 | H13 | 58.3° | 175.0° |
| O12 | C23 | C13 | H13A | 178.1° | 64.9° |
| O12 | C23 | C33 | H33 | 162.6° | 143.7° |
| O13 | C13 | C23 | H13 | 120.1° | 120.0° |
| O13 | C13 | C23 | H13A | 120.1° | 119.9° |
| O13 | C13 | C23 | O23 | 176.7° | 65.9° |
| O13 | C13 | C23 | C33 | 61.3° | 175.9° |
| O13 | C13 | H13 | H13A | 119.7° | 120.0° |
| C13 | C23 | O23 | C33 | 122.1° | 119.5° |
| C13 | C23 | O23 | C53 | 138.6° | 117.9° |
| C13 | C23 | C33 | C43 | 153.5° | 140.9° |
| C13 | C23 | C33 | O33 | 88.4° | 100.9° |
| C23 | C13 | H13 | H13A | 119.7° | 120.0° |
| C23 | C13 | O13 | HO13 | 180.0° | 179.9° |
| C13 | C23 | C33 | H33 | 36.8° | 22.8° |
| O21 | C21 | C31 | C41 | 22.9° | 21.4° |
| O21 | C21 | C31 | O31 | 145.8° | 139.6° |
| C21 | O21 | C51 | C41 | 21.9° | 24.3° |
| C21 | O21 | C51 | C61 | 148.9° | 143.3° |
| O21 | C21 | C11 | H11 | 55.4° | 66.0° |
| O21 | C21 | C11 | H11A | 175.8° | 173.9° |
| O21 | C21 | C31 | H31 | 91.5° | 96.8° |
| C21 | O21 | C51 | H51 | 93.5° | 94.5° |
| C31 | C21 | O21 | C51 | 0.8° | 1.6° |
| C21 | C31 | C41 | O31 | 125.5° | 118.2° |
| C21 | C31 | C41 | H31 | 114.2° | 118.2° |
| C21 | C31 | O31 | H31 | 122.0° | 123.6° |
| C21 | C31 | C41 | O41 | 156.2° | 152.1° |
| C21 | C31 | C41 | C51 | 33.3° | 34.1° |
| C31 | C21 | C11 | H11 | 175.0° | 52.2° |
| C31 | C21 | C11 | H11A | 64.5° | 67.9° |
| C21 | C31 | O31 | HO31 | 180.0° | 180.0° |
| C21 | C31 | C41 | H41 | 80.4° | 83.8° |
| O21 | C51 | C41 | C31 | 34.8° | 36.4° |
| O21 | C51 | C41 | O41 | 157.2° | 154.3° |
| O21 | C51 | C41 | C61 | 125.0° | 119.0° |
| O21 | C51 | C41 | H51 | 116.3° | 118.9° |
| O21 | C51 | C61 | H51 | 118.1° | 122.1° |
| O21 | C51 | C61 | O61 | 55.5° | 66.8° |
| O21 | C51 | C41 | H41 | 79.0° | 81.5° |
| O21 | C51 | C61 | H61 | 63.9° | 173.3° |
| O21 | C51 | C61 | H61A | 174.9° | 53.3° |
| O22 | C22 | C32 | O32 | 151.2° | 139.5° |
| O22 | C22 | C32 | C42 | 32.6° | 21.4° |
| C22 | O22 | C52 | C42 | 5.4° | 24.4° |
| C22 | O22 | C52 | C62 | 123.5° | 143.3° |
| O22 | C22 | C12 | H12 | 59.1° | 54.1° |
| O22 | C22 | C12 | H12A | 59.3° | 174.1° |
| O22 | C22 | C32 | H32 | 86.1° | 97.0° |
| C22 | O22 | C52 | H52 | 114.0° | 94.4° |
| C32 | C22 | O22 | C52 | 17.2° | 1.7° |
| C22 | C32 | O32 | C42 | 112.5° | 112.8° |
| C22 | C32 | O32 | H32 | 121.9° | 123.5° |
| C22 | C32 | C42 | H32 | 118.9° | 118.2° |
| C22 | C32 | C42 | C52 | 35.5° | 34.1° |
| C22 | C32 | C42 | O42 | 153.6° | 152.0° |
| C32 | C22 | C12 | H12 | 173.6° | 64.1° |
| C32 | C22 | C12 | H12A | 55.1° | 55.9° |
| C22 | C32 | O32 | HO32 | 180.0° | 180.0° |
| C22 | C32 | C42 | H42 | 81.4° | 83.8° |
| O22 | C52 | C42 | C32 | 25.4° | 36.4° |
| O22 | C52 | C42 | C62 | 118.5° | 119.0° |
| O22 | C52 | C42 | H52 | 120.2° | 118.9° |
| O22 | C52 | C42 | O42 | 145.5° | 154.3° |
| O22 | C52 | C62 | H52 | 123.4° | 122.2° |
| O22 | C52 | C62 | O62 | 51.0° | 66.5° |
| O22 | C52 | C42 | H42 | 91.6° | 81.5° |
| O22 | C52 | C62 | H62 | 170.9° | 173.5° |
| O22 | C52 | C62 | H62A | 69.0° | 53.5° |
| O23 | C23 | C33 | C43 | 37.0° | 21.4° |
| O23 | C23 | C33 | O33 | 155.0° | 139.6° |
| C23 | O23 | C53 | C43 | 10.4° | 24.3° |
| C23 | O23 | C53 | C63 | 134.7° | 143.3° |
| O23 | C23 | C13 | H13 | 63.2° | 54.1° |
| O23 | C23 | C13 | H13A | 56.6° | 174.1° |
| O23 | C23 | C33 | H33 | 79.7° | 96.7° |
| C23 | O23 | C53 | H53 | 106.3° | 94.6° |
| C33 | C23 | O23 | C53 | 16.5° | 1.6° |
| C23 | C33 | C43 | O33 | 120.1° | 118.2° |
| C23 | C33 | C43 | H33 | 116.4° | 118.2° |
| C23 | C33 | O33 | H33 | 124.5° | 123.6° |
| C23 | C33 | C43 | O43 | 161.9° | 152.1° |
| C23 | C33 | C43 | C53 | 41.5° | 34.1° |
| C33 | C23 | C13 | H13 | 178.5° | 64.1° |
| C33 | C23 | C13 | H13A | 58.8° | 56.0° |
| C23 | C33 | O33 | HO33 | 180.0° | 180.0° |
| C23 | C33 | C43 | H43 | 73.6° | 83.8° |
| O23 | C53 | C43 | C33 | 33.0° | 36.4° |
| O23 | C53 | C43 | O43 | 154.5° | 154.4° |
| O23 | C53 | C43 | C63 | 121.5° | 119.0° |
| O23 | C53 | C43 | H53 | 117.5° | 118.9° |
| O23 | C53 | C63 | H53 | 119.9° | 122.1° |
| O23 | C53 | C63 | O63 | 59.3° | 66.4° |
| O23 | C53 | C43 | H43 | 82.3° | 81.5° |
| O23 | C53 | C63 | H63 | 179.3° | 173.5° |
| O23 | C53 | C63 | H63A | 60.6° | 53.6° |
| C41 | C31 | O31 | H31 | 119.7° | 123.6° |
| C31 | C41 | O41 | C51 | 114.0° | 111.5° |
| C31 | C41 | O41 | H41 | 122.9° | 124.2° |
| C31 | C41 | C51 | H41 | 113.8° | 117.9° |
| C31 | C41 | C51 | C61 | 159.8° | 155.3° |
| C41 | C31 | O31 | HO31 | 61.6° | 67.1° |
| C31 | C41 | O41 | HO41 | 180.0° | 180.0° |
| C31 | C41 | C51 | H51 | 81.4° | 82.5° |
| O31 | C31 | C41 | O41 | 78.3° | 89.8° |
| O31 | C31 | C41 | C51 | 158.8° | 152.3° |
| O31 | C31 | C41 | H41 | 45.1° | 34.4° |
| O32 | C32 | C42 | H32 | 126.3° | 123.6° |
| O32 | C32 | C42 | C52 | 150.2° | 152.3° |
| O32 | C32 | C42 | O42 | 91.7° | 89.8° |
| O32 | C32 | C42 | H42 | 33.3° | 34.4° |
| C32 | C42 | C52 | O42 | 120.1° | 118.0° |
| C32 | C42 | C52 | H42 | 117.0° | 117.9° |
| C32 | C42 | O42 | H42 | 124.1° | 124.2° |
| C32 | C42 | C52 | C62 | 143.9° | 155.3° |
| C42 | C32 | O32 | HO32 | 67.5° | 67.2° |
| C32 | C42 | O42 | HO42 | 180.0° | 180.0° |
| C32 | C42 | C52 | H52 | 94.8° | 82.5° |
| C43 | C33 | O33 | H33 | 122.9° | 123.5° |
| C33 | C43 | O43 | C53 | 113.2° | 111.6° |
| C33 | C43 | O43 | H43 | 124.2° | 124.2° |
| C33 | C43 | C53 | H43 | 115.3° | 117.9° |
| C33 | C43 | C53 | C63 | 154.6° | 155.3° |
| C43 | C33 | O33 | HO33 | 67.4° | 67.1° |
| C33 | C43 | O43 | HO43 | 180.0° | 180.0° |
| C33 | C43 | C53 | H53 | 84.5° | 82.5° |
| O33 | C33 | C43 | O43 | 78.0° | 89.8° |
| O33 | C33 | C43 | C53 | 161.6° | 152.3° |
| O33 | C33 | C43 | H43 | 46.5° | 34.4° |
| O41 | C41 | C51 | H41 | 123.8° | 124.2° |
| O41 | C41 | C51 | C61 | 77.8° | 86.8° |
| O41 | C41 | C31 | H31 | 42.0° | 33.9° |
| O41 | C41 | C51 | H51 | 41.0° | 35.4° |
| C41 | C51 | C61 | H51 | 118.6° | 122.1° |
| C41 | C51 | C61 | O61 | 67.7° | 177.5° |
| C51 | C41 | C31 | H31 | 80.9° | 84.1° |
| C51 | C41 | O41 | HO41 | 66.1° | 68.5° |
| C41 | C51 | C61 | H61 | 172.9° | 57.5° |
| C41 | C51 | C61 | H61A | 51.7° | 62.5° |
| C52 | C42 | O42 | H42 | 121.9° | 124.2° |
| C42 | C52 | C62 | H52 | 121.4° | 122.1° |
| C42 | C52 | C62 | O62 | 166.2° | 177.8° |
| C52 | C42 | C32 | H32 | 83.4° | 84.2° |
| C52 | C42 | O42 | HO42 | 66.0° | 68.4° |
| C42 | C52 | C62 | H62 | 73.8° | 57.8° |
| C42 | C52 | C62 | H62A | 46.3° | 62.2° |
| O42 | C42 | C52 | C62 | 96.1° | 86.7° |
| O42 | C42 | C32 | H32 | 34.7° | 33.8° |
| O42 | C42 | C52 | H52 | 25.2° | 35.5° |
| O43 | C43 | C53 | H43 | 123.2° | 124.1° |
| O43 | C43 | C53 | C63 | 84.0° | 86.7° |
| O43 | C43 | C33 | H33 | 45.5° | 33.9° |
| O43 | C43 | C53 | H53 | 37.0° | 35.5° |
| C43 | C53 | C63 | H53 | 121.0° | 122.1° |
| C43 | C53 | C63 | O63 | 178.4° | 177.8° |
| C53 | C43 | C33 | H33 | 74.9° | 84.1° |
| C53 | C43 | O43 | HO43 | 66.8° | 68.4° |
| C43 | C53 | C63 | H63 | 61.7° | 57.8° |
| C43 | C53 | C63 | H63A | 58.4° | 62.2° |
| C51 | C61 | O61 | H61 | 119.4° | 120.0° |
| C51 | C61 | O61 | H61A | 119.4° | 120.0° |
| C61 | C51 | C41 | H41 | 46.0° | 37.5° |
| C51 | C61 | H61 | H61A | 121.8° | 120.0° |
| C51 | C61 | O61 | HO61 | 180.0° | 179.9° |
| C52 | C62 | O62 | H62 | 119.9° | 120.0° |
| C52 | C62 | O62 | H62A | 120.0° | 120.0° |
| C62 | C52 | C42 | H42 | 26.9° | 37.4° |
| C52 | C62 | H62 | H62A | 120.1° | 120.1° |
| C52 | C62 | O62 | HO62 | 180.0° | 180.0° |
| C53 | C63 | O63 | H63 | 120.0° | 120.0° |
| C53 | C63 | O63 | H63A | 119.9° | 120.0° |
| C63 | C53 | C43 | H43 | 39.2° | 37.4° |
| C53 | C63 | H63 | H63A | 120.2° | 119.9° |
| C53 | C63 | O63 | HO63 | 180.0° | 180.0° |
| O61 | C61 | C51 | H51 | 173.6° | 55.4° |
| O61 | C61 | H61 | H61A | 121.7° | 119.9° |
| O62 | C62 | C52 | H52 | 72.4° | 55.7° |
| O62 | C62 | H62 | H62A | 120.1° | 120.0° |
| O63 | C63 | C53 | H53 | 60.6° | 55.7° |
| O63 | C63 | H63 | H63A | 120.2° | 120.0° |
| H1 | C1 | C2 | H2 | 57.8° | 57.8° |
| H2 | C2 | O2 | HO2 | 60.2° | 60.2° |
| H2 | C2 | C3 | H3 | 179.9° | 177.1° |
| H3 | C3 | O3 | HO3 | 57.4° | 60.2° |
| H3 | C3 | C4 | H4 | 179.6° | 177.1° |
| H4 | C4 | O4 | HO4 | 61.4° | 60.2° |
| H4 | C4 | C5 | H5 | 173.4° | 177.6° |
| H5 | C5 | C6 | H6A | 94.5° | 63.3° |
| H5 | C5 | C6 | H6 | 24.6° | 176.6° |
| H6A | C6 | O6 | HO6 | 59.6° | 60.0° |
| H6 | C6 | O6 | HO6 | 59.6° | 59.9° |
| H13 | C13 | O13 | HO13 | 59.9° | 60.0° |
| H13A | C13 | O13 | HO13 | 59.9° | 60.0° |
| H31 | C31 | O31 | HO31 | 58.0° | 56.5° |
| H31 | C31 | C41 | H41 | 165.4° | 158.0° |
| H32 | C32 | O32 | HO32 | 58.1° | 56.5° |
| H32 | C32 | C42 | H42 | 159.7° | 158.0° |
| H33 | C33 | O33 | HO33 | 55.5° | 56.4° |
| H33 | C33 | C43 | H43 | 170.0° | 158.0° |
| H41 | C41 | O41 | HO41 | 57.1° | 55.8° |
| H41 | C41 | C51 | H51 | 164.8° | 159.6° |
| H42 | C42 | O42 | HO42 | 55.9° | 55.8° |
| H42 | C42 | C52 | H52 | 148.2° | 159.6° |
| H43 | C43 | O43 | HO43 | 55.9° | 55.8° |
| H43 | C43 | C53 | H53 | 160.2° | 159.6° |
| H51 | C51 | C61 | H61 | 54.3° | 64.6° |
| H51 | C51 | C61 | H61A | 67.0° | 175.4° |
| H52 | C52 | C62 | H62 | 47.6° | 64.3° |
| H52 | C52 | C62 | H62A | 167.6° | 175.7° |
| H53 | C53 | C63 | H63 | 59.4° | 64.4° |
| H53 | C53 | C63 | H63A | 179.5° | 175.7° |
| H61 | C61 | O61 | HO61 | 60.6° | 60.0° |
| H61A | C61 | O61 | HO61 | 60.6° | 59.9° |
| H62 | C62 | O62 | HO62 | 60.1° | 60.0° |
| H62A | C62 | O62 | HO62 | 60.0° | 60.0° |
| H63 | C63 | O63 | HO63 | 60.0° | 60.0° |
| H63A | C63 | O63 | HO63 | 60.1° | 60.0° |
