Obsolete: 9QZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C03 | sing | 1.43Å | 1.41Å | |
| C03 | C04 | sing | 1.53Å | 1.49Å | |
| C04 | O05 | sing | 1.43Å | 1.52Å | |
| C04 | C43 | sing | 1.53Å | 1.53Å | |
| O05 | C06 | sing | 1.43Å | 1.46Å | |
| O07 | C06 | sing | 1.43Å | 1.43Å | |
| O07 | C08 | sing | 1.43Å | 1.48Å | |
| C06 | C31 | sing | 1.53Å | 1.53Å | |
| O44 | C43 | sing | 1.43Å | 1.48Å | |
| O44 | S45 | sing | 1.52Å | 1.72Å | |
| O10 | C09 | sing | 1.43Å | 1.48Å | |
| O10 | C11 | sing | 1.43Å | 1.52Å | |
| C43 | C37 | sing | 1.53Å | 1.49Å | |
| O12 | C11 | sing | 1.43Å | 1.37Å | |
| O48 | S45 | doub | 1.42Å | 1.66Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C09 | C25 | sing | 1.53Å | 1.54Å | |
| O26 | C25 | sing | 1.43Å | 1.44Å | |
| O38 | C37 | sing | 1.43Å | 1.47Å | |
| O38 | S39 | sing | 1.52Å | 1.68Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| S45 | O47 | doub | 1.42Å | 1.66Å | |
| S45 | O46 | sing | 1.52Å | 1.66Å | |
| C37 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | O32 | sing | 1.43Å | 1.45Å | |
| C25 | C19 | sing | 1.53Å | 1.52Å | |
| O32 | S33 | sing | 1.52Å | 1.68Å | |
| O40 | S39 | doub | 1.42Å | 1.66Å | |
| C19 | C13 | sing | 1.53Å | 1.49Å | |
| C19 | O20 | sing | 1.43Å | 1.45Å | |
| O41 | S39 | doub | 1.42Å | 1.66Å | |
| S39 | O42 | sing | 1.52Å | 1.66Å | |
| C13 | O14 | sing | 1.43Å | 1.47Å | |
| O18 | S15 | doub | 1.42Å | 1.67Å | |
| O14 | S15 | sing | 1.52Å | 1.68Å | |
| O24 | S21 | doub | 1.42Å | 1.66Å | |
| S33 | O35 | doub | 1.42Å | 1.65Å | |
| S33 | O36 | doub | 1.42Å | 1.67Å | |
| S33 | O34 | sing | 1.52Å | 1.68Å | |
| O20 | S21 | sing | 1.52Å | 1.67Å | |
| S15 | O17 | doub | 1.42Å | 1.66Å | |
| S15 | O16 | sing | 1.52Å | 1.69Å | |
| S21 | O22 | doub | 1.42Å | 1.66Å | |
| S21 | O23 | sing | 1.52Å | 1.66Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| C43 | H14 | sing | 1.09Å | 1.10Å | |
| O02 | H15 | sing | 0.97Å | 0.95Å | |
| O12 | H16 | sing | 0.97Å | 0.95Å | |
| O26 | H17 | sing | 0.97Å | 0.95Å | |
| O16 | H18 | sing | 0.97Å | 0.95Å | |
| O23 | H19 | sing | 0.97Å | 0.95Å | |
| O34 | H20 | sing | 0.97Å | 0.95Å | |
| O42 | H21 | sing | 0.97Å | 0.95Å | |
| O46 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C03 | C04 | 108.7° | 109.5° |
| O02 | C03 | H1 | 109.6° | 109.5° |
| O02 | C03 | H2 | 109.7° | 109.4° |
| C03 | O02 | H15 | 109.5° | 114.0° |
| C03 | C04 | O05 | 108.2° | 109.5° |
| C03 | C04 | C43 | 108.1° | 109.5° |
| C04 | C03 | H1 | 109.7° | 109.5° |
| C04 | C03 | H2 | 109.6° | 109.5° |
| C03 | C04 | H3 | 108.9° | 109.5° |
| O05 | C04 | C43 | 114.7° | 109.4° |
| C04 | O05 | C06 | 111.3° | 114.1° |
| O05 | C04 | H3 | 108.5° | 109.4° |
| C04 | C43 | O44 | 111.7° | 109.5° |
| C04 | C43 | C37 | 116.9° | 109.2° |
| C43 | C04 | H3 | 108.3° | 109.5° |
| C04 | C43 | H14 | 103.4° | 109.5° |
| O05 | C06 | O07 | 113.5° | 109.5° |
| O05 | C06 | C31 | 110.3° | 109.4° |
| O05 | C06 | H4 | 105.1° | 109.4° |
| C06 | O07 | C08 | 117.0° | 114.0° |
| O07 | C06 | C31 | 116.7° | 109.5° |
| O07 | C06 | H4 | 105.6° | 109.5° |
| O07 | C08 | C09 | 112.1° | 109.5° |
| O07 | C08 | H5 | 108.8° | 109.5° |
| O07 | C08 | H6 | 108.8° | 109.5° |
| C06 | C31 | C37 | 107.4° | 109.1° |
| C06 | C31 | O32 | 109.0° | 109.5° |
| C31 | C06 | H4 | 104.4° | 109.5° |
| C06 | C31 | H12 | 109.7° | 109.5° |
| C43 | O44 | S45 | 118.9° | 114.0° |
| O44 | C43 | C37 | 115.1° | 109.5° |
| O44 | C43 | H14 | 103.9° | 109.6° |
| O44 | S45 | O48 | 111.7° | 106.4° |
| O44 | S45 | O47 | 109.7° | 106.4° |
| O44 | S45 | O46 | 109.1° | 107.2° |
| C09 | O10 | C11 | 117.4° | 114.1° |
| O10 | C09 | C08 | 108.3° | 109.5° |
| O10 | C09 | C25 | 117.5° | 109.4° |
| O10 | C09 | H7 | 107.3° | 109.5° |
| O10 | C11 | O12 | 113.3° | 109.5° |
| O10 | C11 | C13 | 116.4° | 109.4° |
| O10 | C11 | H8 | 104.5° | 109.5° |
| C43 | C37 | O38 | 112.9° | 109.7° |
| C43 | C37 | C31 | 113.0° | 109.0° |
| C43 | C37 | H13 | 107.0° | 109.5° |
| C37 | C43 | H14 | 103.8° | 109.6° |
| O12 | C11 | C13 | 110.8° | 109.5° |
| O12 | C11 | H8 | 106.2° | 109.5° |
| C11 | O12 | H16 | 109.5° | 114.0° |
| O48 | S45 | O47 | 108.5° | 123.1° |
| O48 | S45 | O46 | 108.4° | 106.4° |
| C08 | C09 | C25 | 110.0° | 109.5° |
| C09 | C08 | H5 | 108.8° | 109.4° |
| C09 | C08 | H6 | 108.8° | 109.4° |
| C08 | C09 | H7 | 106.5° | 109.5° |
| C09 | C25 | O26 | 111.1° | 109.5° |
| C09 | C25 | C19 | 119.8° | 109.2° |
| C25 | C09 | H7 | 106.6° | 109.5° |
| C09 | C25 | H11 | 104.5° | 109.5° |
| O26 | C25 | C19 | 110.0° | 109.5° |
| O26 | C25 | H11 | 105.5° | 109.6° |
| C25 | O26 | H17 | 109.5° | 114.0° |
| C37 | O38 | S39 | 119.4° | 114.0° |
| O38 | C37 | C31 | 109.6° | 109.5° |
| O38 | C37 | H13 | 107.2° | 109.6° |
| O38 | S39 | O40 | 109.5° | 106.4° |
| O38 | S39 | O41 | 108.0° | 106.4° |
| O38 | S39 | O42 | 112.0° | 107.2° |
| C11 | C13 | C19 | 110.0° | 109.1° |
| C11 | C13 | O14 | 108.1° | 109.5° |
| C13 | C11 | H8 | 104.6° | 109.4° |
| C11 | C13 | H9 | 108.3° | 109.5° |
| O47 | S45 | O46 | 109.3° | 106.4° |
| S45 | O46 | H22 | 109.5° | 114.1° |
| C37 | C31 | O32 | 109.7° | 109.5° |
| C37 | C31 | H12 | 110.0° | 109.6° |
| C31 | C37 | H13 | 106.6° | 109.5° |
| C31 | O32 | S33 | 120.2° | 114.0° |
| O32 | C31 | H12 | 110.9° | 109.6° |
| C25 | C19 | C13 | 111.5° | 109.0° |
| C25 | C19 | O20 | 104.2° | 109.5° |
| C25 | C19 | H10 | 109.7° | 109.6° |
| C19 | C25 | H11 | 104.6° | 109.5° |
| O32 | S33 | O35 | 109.9° | 106.4° |
| O32 | S33 | O36 | 109.2° | 106.4° |
| O32 | S33 | O34 | 110.5° | 107.2° |
| O40 | S39 | O41 | 109.0° | 123.2° |
| O40 | S39 | O42 | 108.5° | 106.4° |
| C13 | C19 | O20 | 110.4° | 109.5° |
| C19 | C13 | O14 | 113.0° | 109.5° |
| C19 | C13 | H9 | 108.6° | 109.6° |
| C13 | C19 | H10 | 110.2° | 109.6° |
| C19 | O20 | S21 | 120.9° | 114.0° |
| O20 | C19 | H10 | 110.7° | 109.6° |
| O41 | S39 | O42 | 109.7° | 106.3° |
| S39 | O42 | H21 | 109.5° | 114.0° |
| C13 | O14 | S15 | 118.0° | 114.0° |
| O14 | C13 | H9 | 108.8° | 109.5° |
| O18 | S15 | O14 | 110.6° | 106.4° |
| O18 | S15 | O17 | 107.9° | 123.1° |
| O18 | S15 | O16 | 109.6° | 106.4° |
| O14 | S15 | O17 | 111.3° | 106.4° |
| O14 | S15 | O16 | 108.8° | 107.2° |
| O24 | S21 | O20 | 110.4° | 106.4° |
| O24 | S21 | O22 | 111.0° | 123.2° |
| O24 | S21 | O23 | 109.5° | 106.4° |
| O35 | S33 | O36 | 109.4° | 123.2° |
| O35 | S33 | O34 | 108.5° | 106.4° |
| O36 | S33 | O34 | 109.2° | 106.4° |
| S33 | O34 | H20 | 109.5° | 114.0° |
| O20 | S21 | O22 | 107.7° | 106.4° |
| O20 | S21 | O23 | 110.1° | 107.2° |
| O17 | S15 | O16 | 108.6° | 106.4° |
| S15 | O16 | H18 | 109.5° | 114.0° |
| O22 | S21 | O23 | 108.1° | 106.4° |
| S21 | O23 | H19 | 109.5° | 114.0° |
| H1 | C03 | H2 | 109.5° | 109.5° |
| H5 | C08 | H6 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C03 | C04 | H1 | 119.9° | 120.0° |
| O02 | C03 | C04 | H2 | 119.9° | 120.0° |
| O02 | C03 | C04 | O05 | 49.1° | 65.2° |
| O02 | C03 | C04 | C43 | 173.9° | 174.9° |
| O02 | C03 | H1 | H2 | 120.4° | 119.9° |
| O02 | C03 | C04 | H3 | 68.7° | 54.8° |
| C03 | C04 | O05 | C43 | 120.7° | 120.0° |
| C03 | C04 | O05 | H3 | 118.0° | 120.0° |
| C03 | C04 | C43 | H3 | 117.8° | 120.1° |
| C03 | C04 | O05 | C06 | 163.8° | 178.9° |
| C03 | C04 | C43 | O44 | 70.9° | 62.5° |
| C03 | C04 | C43 | C37 | 153.6° | 177.6° |
| C04 | C03 | H1 | H2 | 120.4° | 120.1° |
| C03 | C04 | C43 | H14 | 40.2° | 57.6° |
| C04 | C03 | O02 | H15 | 180.0° | 180.0° |
| O05 | C04 | C43 | H3 | 121.4° | 120.0° |
| C04 | O05 | C06 | O07 | 165.7° | 178.8° |
| C04 | O05 | C06 | C31 | 61.2° | 61.2° |
| O05 | C04 | C43 | O44 | 168.3° | 177.5° |
| O05 | C04 | C43 | C37 | 32.8° | 57.7° |
| O05 | C04 | C03 | H1 | 70.8° | 174.8° |
| O05 | C04 | C03 | H2 | 169.0° | 54.8° |
| C04 | O05 | C06 | H4 | 50.8° | 58.8° |
| O05 | C04 | C43 | H14 | 80.6° | 62.3° |
| C43 | C04 | O05 | C06 | 43.1° | 61.2° |
| C04 | C43 | O44 | C37 | 136.3° | 119.6° |
| C04 | C43 | O44 | H14 | 110.8° | 120.1° |
| C04 | C43 | O44 | S45 | 144.5° | 143.4° |
| C04 | C43 | C37 | H14 | 113.1° | 119.9° |
| C04 | C43 | C37 | O38 | 85.6° | 62.9° |
| C04 | C43 | C37 | C31 | 39.6° | 57.0° |
| C43 | C04 | C03 | H1 | 54.0° | 54.9° |
| C43 | C04 | C03 | H2 | 66.2° | 65.1° |
| C04 | C43 | C37 | H13 | 156.7° | 176.8° |
| O05 | C06 | O07 | C31 | 130.0° | 119.9° |
| O05 | C06 | O07 | H4 | 114.6° | 120.0° |
| O05 | C06 | O07 | C08 | 162.9° | 65.0° |
| O05 | C06 | C31 | H4 | 112.5° | 119.9° |
| O05 | C06 | C31 | C37 | 67.1° | 57.6° |
| O05 | C06 | C31 | O32 | 51.8° | 62.3° |
| C06 | O05 | C04 | H3 | 78.2° | 58.8° |
| O05 | C06 | C31 | H12 | 173.4° | 177.6° |
| O07 | C06 | C31 | H4 | 116.1° | 120.1° |
| C06 | O07 | C08 | C09 | 151.4° | 180.0° |
| O07 | C06 | C31 | C37 | 161.5° | 177.6° |
| O07 | C06 | C31 | O32 | 79.7° | 57.7° |
| C06 | O07 | C08 | H5 | 88.2° | 60.0° |
| C06 | O07 | C08 | H6 | 31.0° | 60.0° |
| O07 | C06 | C31 | H12 | 42.0° | 62.4° |
| C08 | O07 | C06 | C31 | 33.0° | 175.0° |
| O07 | C08 | C09 | O10 | 95.9° | 65.1° |
| O07 | C08 | C09 | H5 | 120.4° | 120.1° |
| O07 | C08 | C09 | H6 | 120.4° | 120.0° |
| O07 | C08 | C09 | C25 | 134.4° | 175.0° |
| C08 | O07 | C06 | H4 | 82.5° | 55.0° |
| O07 | C08 | H5 | H6 | 118.8° | 120.0° |
| O07 | C08 | C09 | H7 | 19.2° | 54.9° |
| C06 | C31 | C37 | C43 | 54.7° | 57.0° |
| C06 | C31 | C37 | O38 | 72.2° | 63.0° |
| C06 | C31 | C37 | O32 | 118.3° | 119.9° |
| C06 | C31 | C37 | H12 | 119.4° | 119.9° |
| C06 | C31 | O32 | H12 | 120.9° | 120.1° |
| C06 | C31 | O32 | S33 | 167.3° | 95.0° |
| C06 | C31 | C37 | H13 | 172.0° | 176.8° |
| O44 | C43 | C37 | H14 | 112.8° | 120.2° |
| C43 | O44 | S45 | O48 | 105.9° | 40.5° |
| O44 | C43 | C37 | O38 | 48.5° | 56.9° |
| C43 | O44 | S45 | O47 | 133.7° | 173.4° |
| C43 | O44 | S45 | O46 | 13.9° | 73.0° |
| O44 | C43 | C37 | C31 | 173.6° | 176.9° |
| O44 | C43 | C04 | H3 | 46.9° | 57.6° |
| O44 | C43 | C37 | H13 | 69.3° | 63.3° |
| S45 | O44 | C43 | C37 | 79.2° | 96.9° |
| O44 | S45 | O48 | O47 | 121.1° | 122.9° |
| O44 | S45 | O48 | O46 | 120.2° | 114.1° |
| O44 | S45 | O47 | O46 | 119.6° | 114.1° |
| S45 | O44 | C43 | H14 | 33.6° | 23.3° |
| O44 | S45 | O46 | H22 | 121.8° | 180.0° |
| C09 | O10 | C11 | O12 | 110.7° | 58.8° |
| O10 | C09 | C08 | C25 | 129.7° | 120.0° |
| O10 | C09 | C08 | H7 | 115.1° | 120.0° |
| O10 | C09 | C25 | H7 | 120.4° | 120.0° |
| O10 | C09 | C25 | O26 | 123.2° | 177.5° |
| C09 | O10 | C11 | C13 | 19.4° | 61.2° |
| O10 | C09 | C25 | C19 | 6.9° | 57.6° |
| O10 | C09 | C08 | H5 | 143.7° | 55.0° |
| O10 | C09 | C08 | H6 | 24.5° | 174.9° |
| C09 | O10 | C11 | H8 | 134.1° | 178.9° |
| O10 | C09 | C25 | H11 | 123.6° | 62.3° |
| O10 | C11 | O12 | C13 | 132.9° | 120.0° |
| O10 | C11 | O12 | H8 | 114.1° | 120.1° |
| C11 | O10 | C09 | C08 | 114.1° | 178.8° |
| C11 | O10 | C09 | C25 | 11.2° | 61.2° |
| O10 | C11 | C13 | H8 | 114.7° | 120.0° |
| O10 | C11 | C13 | C19 | 54.8° | 57.6° |
| O10 | C11 | C13 | O14 | 178.5° | 177.5° |
| C11 | O10 | C09 | H7 | 131.3° | 58.8° |
| O10 | C11 | C13 | H9 | 63.8° | 62.4° |
| O10 | C11 | O12 | H16 | 180.0° | 60.0° |
| C43 | C37 | O38 | C31 | 127.0° | 119.6° |
| C43 | C37 | O38 | H13 | 117.6° | 120.2° |
| C43 | C37 | O38 | S39 | 122.1° | 145.4° |
| C43 | C37 | C31 | H13 | 117.3° | 119.8° |
| C43 | C37 | C31 | O32 | 63.6° | 62.9° |
| C37 | C43 | C04 | H3 | 88.6° | 62.3° |
| C43 | C37 | C31 | H12 | 174.1° | 176.9° |
| O12 | C11 | C13 | H8 | 114.0° | 120.0° |
| O12 | C11 | C13 | C19 | 76.5° | 62.4° |
| O12 | C11 | C13 | O14 | 47.2° | 57.5° |
| O12 | C11 | C13 | H9 | 165.0° | 177.6° |
| O48 | S45 | O47 | O46 | 118.1° | 123.0° |
| O48 | S45 | O46 | H22 | 0.0° | 66.5° |
| C08 | C09 | C25 | H7 | 115.1° | 120.0° |
| C08 | C09 | C25 | O26 | 112.3° | 62.5° |
| C08 | C09 | C25 | C19 | 117.6° | 177.6° |
| C09 | C08 | H5 | H6 | 118.8° | 119.9° |
| C08 | C09 | C25 | H11 | 0.9° | 57.7° |
| C09 | C25 | O26 | C19 | 135.0° | 119.7° |
| C09 | C25 | O26 | H11 | 112.6° | 120.2° |
| C09 | C25 | C19 | H11 | 116.6° | 119.9° |
| C09 | C25 | C19 | C13 | 27.9° | 57.0° |
| C09 | C25 | C19 | O20 | 147.0° | 176.8° |
| C25 | C09 | C08 | H5 | 14.0° | 65.0° |
| C25 | C09 | C08 | H6 | 105.2° | 54.9° |
| C09 | C25 | C19 | H10 | 94.4° | 62.9° |
| C09 | C25 | O26 | H17 | 180.0° | 60.0° |
| O26 | C25 | C19 | H11 | 112.9° | 120.2° |
| O26 | C25 | C19 | C13 | 158.5° | 176.9° |
| O26 | C25 | C19 | O20 | 82.4° | 63.3° |
| O26 | C25 | C09 | H7 | 2.8° | 57.5° |
| O26 | C25 | C19 | H10 | 36.2° | 57.0° |
| O38 | C37 | C31 | H13 | 115.8° | 120.2° |
| O38 | C37 | C31 | O32 | 169.5° | 177.1° |
| C37 | O38 | S39 | O40 | 162.6° | 171.5° |
| C37 | O38 | S39 | O41 | 78.8° | 38.5° |
| C37 | O38 | S39 | O42 | 42.1° | 75.0° |
| O38 | C37 | C31 | H12 | 47.2° | 56.9° |
| O38 | C37 | C43 | H14 | 161.3° | 177.2° |
| S39 | O38 | C37 | C31 | 110.9° | 95.0° |
| O38 | S39 | O40 | O41 | 118.0° | 123.0° |
| O38 | S39 | O40 | O42 | 122.5° | 114.1° |
| O38 | S39 | O41 | O42 | 122.4° | 114.1° |
| S39 | O38 | C37 | H13 | 4.5° | 25.2° |
| O38 | S39 | O42 | H21 | 121.0° | 180.0° |
| C11 | C13 | C19 | C25 | 57.1° | 57.0° |
| C11 | C13 | C19 | O14 | 120.8° | 119.9° |
| C11 | C13 | C19 | H9 | 118.3° | 119.9° |
| C11 | C13 | C19 | O20 | 172.4° | 176.8° |
| C11 | C13 | O14 | H9 | 117.4° | 120.1° |
| C11 | C13 | O14 | S15 | 77.3° | 95.0° |
| C11 | C13 | C19 | H10 | 65.0° | 63.0° |
| C13 | C11 | O12 | H16 | 47.1° | 179.9° |
| O47 | S45 | O46 | H22 | 118.2° | 66.4° |
| C37 | C31 | O32 | H12 | 121.7° | 120.2° |
| C37 | C31 | O32 | S33 | 75.3° | 145.3° |
| C37 | C31 | C06 | H4 | 45.4° | 62.3° |
| C31 | C37 | C43 | H14 | 73.5° | 62.9° |
| C31 | O32 | S33 | O35 | 108.2° | 171.4° |
| C31 | O32 | S33 | O36 | 131.7° | 38.5° |
| C31 | O32 | S33 | O34 | 11.5° | 75.0° |
| O32 | C31 | C06 | H4 | 164.2° | 177.8° |
| O32 | C31 | C37 | H13 | 53.7° | 56.9° |
| C25 | C19 | C13 | O20 | 115.4° | 119.8° |
| C25 | C19 | C13 | H10 | 122.1° | 120.0° |
| C25 | C19 | O20 | H10 | 117.9° | 120.3° |
| C25 | C19 | C13 | O14 | 177.9° | 176.9° |
| C25 | C19 | O20 | S21 | 149.4° | 95.5° |
| C19 | C25 | C09 | H7 | 127.3° | 62.4° |
| C25 | C19 | C13 | H9 | 61.2° | 62.9° |
| C19 | C25 | O26 | H17 | 45.0° | 179.7° |
| O32 | S33 | O35 | O36 | 120.0° | 123.0° |
| O32 | S33 | O35 | O34 | 121.0° | 114.1° |
| O32 | S33 | O36 | O34 | 121.0° | 114.1° |
| S33 | O32 | C31 | H12 | 46.4° | 25.1° |
| O32 | S33 | O34 | H20 | 120.6° | 180.0° |
| O40 | S39 | O41 | O42 | 118.6° | 122.9° |
| O40 | S39 | O42 | H21 | 0.0° | 66.5° |
| C13 | C19 | O20 | H10 | 122.3° | 120.2° |
| C19 | C13 | O14 | H9 | 120.7° | 120.3° |
| C19 | C13 | O14 | S15 | 160.7° | 145.3° |
| C13 | C19 | O20 | S21 | 90.8° | 145.0° |
| C19 | C13 | C11 | H8 | 169.5° | 177.6° |
| C13 | C19 | C25 | H11 | 88.6° | 62.9° |
| O20 | C19 | C13 | O14 | 66.8° | 63.3° |
| C19 | O20 | S21 | O24 | 33.4° | 171.4° |
| C19 | O20 | S21 | O22 | 88.0° | 38.5° |
| C19 | O20 | S21 | O23 | 154.4° | 75.0° |
| O20 | C19 | C13 | H9 | 54.1° | 56.9° |
| O20 | C19 | C25 | H11 | 30.5° | 56.9° |
| O41 | S39 | O42 | H21 | 119.0° | 66.4° |
| C13 | O14 | S15 | O18 | 30.1° | 38.5° |
| C13 | O14 | S15 | O17 | 150.0° | 171.4° |
| C13 | O14 | S15 | O16 | 90.3° | 75.1° |
| O14 | C13 | C11 | H8 | 66.8° | 62.5° |
| O14 | C13 | C19 | H10 | 55.8° | 56.9° |
| O18 | S15 | O14 | O17 | 119.9° | 132.9° |
| O18 | S15 | O14 | O16 | 120.4° | 113.6° |
| O18 | S15 | O17 | O16 | 118.7° | 122.9° |
| O18 | S15 | O16 | H18 | 117.7° | 66.4° |
| O14 | S15 | O17 | O16 | 119.8° | 114.1° |
| S15 | O14 | C13 | H9 | 40.0° | 25.1° |
| O14 | S15 | O16 | H18 | 121.3° | 180.0° |
| O24 | S21 | O20 | O22 | 121.4° | 132.9° |
| O24 | S21 | O20 | O23 | 121.0° | 113.5° |
| O24 | S21 | O22 | O23 | 120.1° | 123.0° |
| O24 | S21 | O23 | H19 | 121.1° | 66.5° |
| O35 | S33 | O36 | O34 | 118.6° | 123.0° |
| O35 | S33 | O34 | H20 | 0.0° | 66.4° |
| O36 | S33 | O34 | H20 | 119.2° | 66.5° |
| O20 | S21 | O22 | O23 | 118.9° | 114.1° |
| S21 | O20 | C19 | H10 | 31.5° | 24.8° |
| O20 | S21 | O23 | H19 | 117.4° | 180.0° |
| O17 | S15 | O16 | H18 | 0.0° | 66.5° |
| O22 | S21 | O23 | H19 | 0.0° | 66.5° |
| H1 | C03 | C04 | H3 | 171.5° | 65.2° |
| H1 | C03 | O02 | H15 | 60.1° | 60.0° |
| H2 | C03 | C04 | H3 | 51.2° | 174.8° |
| H2 | C03 | O02 | H15 | 60.1° | 60.0° |
| H3 | C04 | C43 | H14 | 158.1° | 177.7° |
| H4 | C06 | C31 | H12 | 74.1° | 57.6° |
| H5 | C08 | C09 | H7 | 101.2° | 175.0° |
| H6 | C08 | C09 | H7 | 139.6° | 65.1° |
| H7 | C09 | C25 | H11 | 116.0° | 177.7° |
| H8 | C11 | C13 | H9 | 50.9° | 57.6° |
| H8 | C11 | O12 | H16 | 65.9° | 60.1° |
| H9 | C13 | C19 | H10 | 176.7° | 177.1° |
| H10 | C19 | C25 | H11 | 149.1° | 177.2° |
| H11 | C25 | O26 | H17 | 67.4° | 60.1° |
| H12 | C31 | C37 | H13 | 68.6° | 63.3° |
| H13 | C37 | C43 | H14 | 43.6° | 56.9° |
