A1H1A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C52 | O52 | sing | 1.43Å | 1.42Å | |
| C52 | C42 | sing | 1.53Å | 1.51Å | |
| O42 | C42 | sing | 1.44Å | 1.45Å | |
| O42 | C12 | sing | 1.44Å | 1.42Å | |
| C42 | C32 | sing | 1.54Å | 1.53Å | |
| C12 | O11 | sing | 1.43Å | 1.38Å | |
| C12 | C22 | sing | 1.54Å | 1.53Å | |
| C32 | C22 | sing | 1.55Å | 1.52Å | |
| C32 | O32 | sing | 1.43Å | 1.43Å | |
| O22 | C22 | sing | 1.43Å | 1.41Å | |
| O1P | P | doub | 1.48Å | 1.49Å | |
| O51 | C51 | sing | 1.43Å | 1.42Å | |
| O32 | P | sing | 1.61Å | 1.60Å | |
| P | O5 | sing | 1.61Å | 1.60Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| C51 | C41 | sing | 1.53Å | 1.51Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C41 | O41 | sing | 1.44Å | 1.45Å | |
| C41 | C31 | sing | 1.54Å | 1.52Å | |
| O41 | C11 | sing | 1.44Å | 1.41Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C31 | O31 | sing | 1.43Å | 1.43Å | |
| C31 | C21 | sing | 1.55Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| O31 | P1 | sing | 1.61Å | 1.60Å | |
| C11 | O1 | sing | 1.43Å | 1.39Å | |
| C11 | C21 | sing | 1.55Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| O12 | P1 | doub | 1.48Å | 1.49Å | |
| O21 | C21 | sing | 1.43Å | 1.41Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| P1 | O10 | sing | 1.61Å | 1.61Å | |
| P1 | O13 | sing | 1.61Å | 1.49Å | |
| O10 | C10 | sing | 1.43Å | 1.44Å | |
| O7 | C7 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | O9 | sing | 1.43Å | 1.43Å | |
| C8 | O8 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| O8 | H10 | sing | 0.97Å | 0.95Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| O2P | H19 | sing | 0.97Å | 0.95Å | |
| C41 | H20 | sing | 1.09Å | 1.10Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C51 | H23 | sing | 1.09Å | 1.10Å | |
| C51 | H24 | sing | 1.09Å | 1.10Å | |
| O51 | H25 | sing | 0.97Å | 0.95Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C52 | H29 | sing | 1.09Å | 1.10Å | |
| C52 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| O11 | H33 | sing | 0.97Å | 0.95Å | |
| O22 | H34 | sing | 0.97Å | 0.95Å | |
| O52 | H35 | sing | 0.97Å | 0.95Å | |
| O7 | H36 | sing | 0.97Å | 0.95Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| O9 | H38 | sing | 0.97Å | 0.95Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C10 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O52 | C52 | C42 | 111.8° | 109.4° |
| O52 | C52 | H29 | 108.9° | 109.5° |
| O52 | C52 | H30 | 108.9° | 109.5° |
| C52 | O52 | H35 | 109.5° | 114.0° |
| C52 | C42 | O42 | 111.4° | 110.5° |
| C52 | C42 | C32 | 117.0° | 110.3° |
| C52 | C42 | H28 | 108.0° | 110.4° |
| C42 | C52 | H29 | 108.9° | 109.5° |
| C42 | C52 | H30 | 108.9° | 109.5° |
| C42 | O42 | C12 | 108.1° | 105.3° |
| O42 | C42 | C32 | 103.5° | 104.8° |
| O42 | C42 | H28 | 108.8° | 110.4° |
| O42 | C12 | O11 | 110.0° | 110.4° |
| O42 | C12 | C22 | 102.9° | 104.8° |
| O42 | C12 | H26 | 109.3° | 110.4° |
| C42 | C32 | C22 | 98.4° | 104.1° |
| C42 | C32 | O32 | 113.2° | 110.6° |
| C42 | C32 | H27 | 109.8° | 110.5° |
| C32 | C42 | H28 | 107.8° | 110.3° |
| O11 | C12 | C22 | 116.5° | 110.3° |
| O11 | C12 | H26 | 109.9° | 110.3° |
| C12 | O11 | H33 | 109.5° | 113.9° |
| C12 | C22 | C32 | 95.5° | 104.0° |
| C12 | C22 | O22 | 114.5° | 110.5° |
| C12 | C22 | H15 | 110.8° | 110.5° |
| C22 | C12 | H26 | 107.9° | 110.4° |
| C22 | C32 | O32 | 113.9° | 110.5° |
| C32 | C22 | O22 | 111.5° | 110.6° |
| C32 | C22 | H15 | 110.9° | 110.5° |
| C22 | C32 | H27 | 109.8° | 110.5° |
| C32 | O32 | P | 120.4° | 123.0° |
| O32 | C32 | H27 | 111.1° | 110.5° |
| O22 | C22 | H15 | 112.6° | 110.5° |
| C22 | O22 | H34 | 109.5° | 114.0° |
| O1P | P | O32 | 110.3° | 109.5° |
| O1P | P | O5 | 108.6° | 109.5° |
| O1P | P | O2P | 117.2° | 109.4° |
| O51 | C51 | C41 | 111.5° | 109.5° |
| O51 | C51 | H23 | 108.9° | 109.5° |
| O51 | C51 | H24 | 108.9° | 109.5° |
| C51 | O51 | H25 | 109.5° | 114.0° |
| O32 | P | O5 | 101.4° | 109.5° |
| O32 | P | O2P | 109.6° | 109.4° |
| O5 | P | O2P | 108.6° | 109.4° |
| P | O5 | C5 | 119.6° | 123.0° |
| P | O2P | H19 | 109.5° | 114.0° |
| C51 | C41 | O41 | 111.7° | 110.4° |
| C51 | C41 | C31 | 115.2° | 110.4° |
| C51 | C41 | H20 | 108.4° | 110.4° |
| C41 | C51 | H23 | 109.0° | 109.5° |
| C41 | C51 | H24 | 109.0° | 109.5° |
| O5 | C5 | C4 | 111.3° | 109.4° |
| O5 | C5 | H6 | 109.0° | 109.5° |
| O5 | C5 | H7 | 109.0° | 109.4° |
| O41 | C41 | C31 | 103.9° | 104.8° |
| C41 | O41 | C11 | 108.8° | 105.3° |
| O41 | C41 | H20 | 109.2° | 110.4° |
| C41 | C31 | O31 | 113.8° | 110.5° |
| C41 | C31 | C21 | 98.9° | 104.1° |
| C31 | C41 | H20 | 108.2° | 110.4° |
| C41 | C31 | H22 | 110.5° | 110.5° |
| O41 | C11 | O1 | 110.7° | 110.4° |
| O41 | C11 | C21 | 102.9° | 104.8° |
| O41 | C11 | H12 | 112.1° | 110.4° |
| O4 | C4 | C5 | 108.0° | 109.5° |
| O4 | C4 | C3 | 110.7° | 109.4° |
| O4 | C4 | H5 | 109.7° | 109.5° |
| C4 | O4 | H18 | 109.5° | 114.0° |
| C5 | C4 | C3 | 111.6° | 109.4° |
| C5 | C4 | H5 | 108.6° | 109.5° |
| C4 | C5 | H6 | 109.1° | 109.5° |
| C4 | C5 | H7 | 109.0° | 109.5° |
| O31 | C31 | C21 | 110.4° | 110.5° |
| C31 | O31 | P1 | 120.0° | 123.0° |
| O31 | C31 | H22 | 111.9° | 110.5° |
| C31 | C21 | C11 | 96.8° | 104.0° |
| C31 | C21 | O21 | 110.8° | 110.7° |
| C31 | C21 | H14 | 110.9° | 110.5° |
| C21 | C31 | H22 | 110.5° | 110.6° |
| C4 | C3 | C2 | 116.9° | 109.5° |
| C4 | C3 | O3 | 108.1° | 109.5° |
| C4 | C3 | H4 | 107.4° | 109.5° |
| C3 | C4 | H5 | 108.3° | 109.5° |
| O1 | C1 | C2 | 109.2° | 109.4° |
| C1 | O1 | C11 | 110.9° | 114.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | C3 | 115.4° | 109.5° |
| C1 | C2 | O2 | 108.9° | 109.5° |
| C2 | C1 | H1 | 109.6° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 107.2° | 109.5° |
| O31 | P1 | O12 | 108.7° | 109.5° |
| O31 | P1 | O10 | 102.8° | 109.4° |
| O31 | P1 | O13 | 110.2° | 109.5° |
| O1 | C11 | C21 | 107.9° | 110.4° |
| O1 | C11 | H12 | 112.5° | 110.3° |
| C11 | C21 | O21 | 113.9° | 110.5° |
| C21 | C11 | H12 | 110.3° | 110.5° |
| C11 | C21 | H14 | 110.8° | 110.5° |
| C2 | C3 | O3 | 108.2° | 109.5° |
| C3 | C2 | O2 | 109.8° | 109.5° |
| C3 | C2 | H3 | 107.0° | 109.5° |
| C2 | C3 | H4 | 107.4° | 109.4° |
| O3 | C3 | H4 | 108.7° | 109.5° |
| C3 | O3 | H17 | 109.5° | 114.0° |
| O12 | P1 | O10 | 108.9° | 109.5° |
| O12 | P1 | O13 | 115.6° | 109.4° |
| O21 | C21 | H14 | 112.6° | 110.5° |
| C21 | O21 | H21 | 109.5° | 114.0° |
| O2 | C2 | H3 | 108.2° | 109.5° |
| C2 | O2 | H16 | 109.5° | 114.0° |
| O10 | P1 | O13 | 110.0° | 109.5° |
| P1 | O10 | C10 | 120.8° | 123.0° |
| P1 | O13 | H13 | 109.5° | 114.0° |
| O10 | C10 | C9 | 118.6° | 109.5° |
| O10 | C10 | H39 | 107.1° | 109.4° |
| O10 | C10 | H40 | 107.2° | 109.5° |
| O7 | C7 | C6 | 109.6° | 109.5° |
| O7 | C7 | C8 | 109.7° | 109.4° |
| O7 | C7 | H9 | 109.4° | 109.4° |
| C7 | O7 | H36 | 109.5° | 113.9° |
| C10 | C9 | C8 | 113.2° | 109.5° |
| C10 | C9 | O9 | 109.6° | 109.5° |
| C10 | C9 | H11 | 108.0° | 109.5° |
| C9 | C10 | H39 | 107.2° | 109.4° |
| C9 | C10 | H40 | 107.1° | 109.5° |
| O6 | C6 | C7 | 111.5° | 109.5° |
| C6 | O6 | H8 | 109.5° | 114.0° |
| O6 | C6 | H31 | 109.0° | 109.5° |
| O6 | C6 | H32 | 109.0° | 109.5° |
| C6 | C7 | C8 | 111.9° | 109.5° |
| C6 | C7 | H9 | 108.2° | 109.5° |
| C7 | C6 | H31 | 109.0° | 109.5° |
| C7 | C6 | H32 | 109.0° | 109.5° |
| C7 | C8 | C9 | 114.3° | 109.5° |
| C7 | C8 | O8 | 108.9° | 109.5° |
| C8 | C7 | H9 | 108.0° | 109.5° |
| C7 | C8 | H37 | 107.7° | 109.5° |
| C8 | C9 | O9 | 109.2° | 109.5° |
| C9 | C8 | O8 | 109.1° | 109.5° |
| C8 | C9 | H11 | 107.8° | 109.4° |
| C9 | C8 | H37 | 107.7° | 109.5° |
| O9 | C9 | H11 | 109.1° | 109.5° |
| C9 | O9 | H38 | 109.5° | 114.0° |
| C8 | O8 | H10 | 109.5° | 114.0° |
| O8 | C8 | H37 | 109.0° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| H23 | C51 | H24 | 109.5° | 109.4° |
| H29 | C52 | H30 | 109.5° | 109.5° |
| H31 | C6 | H32 | 109.4° | 109.4° |
| H39 | C10 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O52 | C52 | C42 | H29 | 120.4° | 120.0° |
| O52 | C52 | C42 | H30 | 120.3° | 120.0° |
| O52 | C52 | C42 | O42 | 178.2° | 69.6° |
| O52 | C52 | C42 | C32 | 62.9° | 175.0° |
| O52 | C52 | C42 | H28 | 58.8° | 52.8° |
| O52 | C52 | H29 | H30 | 118.9° | 120.0° |
| C52 | C42 | O42 | C32 | 126.6° | 118.9° |
| C52 | C42 | O42 | H28 | 118.9° | 122.4° |
| C52 | C42 | O42 | C12 | 135.3° | 159.4° |
| C52 | C42 | C32 | H28 | 121.8° | 122.2° |
| C52 | C42 | C32 | C22 | 162.6° | 142.9° |
| C52 | C42 | C32 | O32 | 76.9° | 98.4° |
| C52 | C42 | C32 | H27 | 47.9° | 24.3° |
| C42 | C52 | H29 | H30 | 119.0° | 120.0° |
| C42 | C52 | O52 | H35 | 71.0° | 180.0° |
| O42 | C42 | C32 | H28 | 115.2° | 118.8° |
| C42 | O42 | C12 | O11 | 98.9° | 159.3° |
| C42 | O42 | C12 | C22 | 25.9° | 40.5° |
| O42 | C42 | C32 | C22 | 39.6° | 23.9° |
| O42 | C42 | C32 | O32 | 160.2° | 142.6° |
| C42 | O42 | C12 | H26 | 140.3° | 78.4° |
| O42 | C42 | C32 | H27 | 75.1° | 94.7° |
| O42 | C42 | C52 | H29 | 57.9° | 170.4° |
| O42 | C42 | C52 | H30 | 61.4° | 50.4° |
| C12 | O42 | C42 | C32 | 8.7° | 40.5° |
| O42 | C12 | O11 | C22 | 116.6° | 115.4° |
| O42 | C12 | O11 | H26 | 120.4° | 122.3° |
| O42 | C12 | C22 | H26 | 115.5° | 118.9° |
| O42 | C12 | C22 | C32 | 49.3° | 24.0° |
| O42 | C12 | C22 | O22 | 67.3° | 142.7° |
| O42 | C12 | C22 | H15 | 164.1° | 94.6° |
| C12 | O42 | C42 | H28 | 105.8° | 78.3° |
| O42 | C12 | O11 | H33 | 180.0° | 61.5° |
| C42 | C32 | C22 | C12 | 52.7° | 0.0° |
| C42 | C32 | C22 | O32 | 120.0° | 118.7° |
| C42 | C32 | C22 | H27 | 114.6° | 118.6° |
| C42 | C32 | O32 | H27 | 124.0° | 122.7° |
| C42 | C32 | C22 | O22 | 66.3° | 118.7° |
| C42 | C32 | O32 | P | 104.8° | 120.0° |
| C42 | C32 | C22 | H15 | 167.4° | 118.6° |
| C32 | C42 | C52 | H29 | 176.7° | 55.0° |
| C32 | C42 | C52 | H30 | 57.4° | 65.1° |
| O11 | C12 | C22 | H26 | 124.1° | 122.3° |
| O11 | C12 | C22 | C32 | 71.1° | 142.8° |
| O11 | C12 | C22 | O22 | 172.3° | 98.4° |
| O11 | C12 | C22 | H15 | 43.7° | 24.2° |
| C12 | C22 | C32 | O22 | 119.0° | 118.7° |
| C12 | C22 | C32 | H15 | 114.7° | 118.6° |
| C12 | C22 | C32 | O32 | 172.7° | 118.7° |
| C12 | C22 | O22 | H15 | 127.7° | 122.7° |
| C12 | C22 | C32 | H27 | 61.9° | 118.7° |
| C22 | C12 | O11 | H33 | 63.5° | 176.9° |
| C12 | C22 | O22 | H34 | 180.0° | 61.5° |
| C22 | C32 | O32 | H27 | 124.7° | 122.6° |
| C32 | C22 | O22 | H15 | 125.3° | 122.7° |
| C22 | C32 | O32 | P | 143.9° | 125.3° |
| C32 | C22 | C12 | H26 | 164.8° | 94.9° |
| C22 | C32 | C42 | H28 | 75.6° | 94.8° |
| C32 | C22 | O22 | H34 | 73.0° | 176.2° |
| O32 | C32 | C22 | O22 | 53.7° | 0.0° |
| C32 | O32 | P | O1P | 50.8° | 55.0° |
| C32 | O32 | P | O5 | 64.1° | 175.0° |
| C32 | O32 | P | O2P | 178.7° | 65.0° |
| O32 | C32 | C22 | H15 | 72.6° | 122.7° |
| O32 | C32 | C42 | H28 | 44.9° | 23.8° |
| O22 | C22 | C12 | H26 | 48.1° | 23.8° |
| O22 | C22 | C32 | H27 | 179.1° | 122.6° |
| O1P | P | O32 | O5 | 114.9° | 120.1° |
| O1P | P | O32 | O2P | 130.5° | 120.0° |
| O1P | P | O5 | O2P | 128.5° | 120.0° |
| O1P | P | O5 | C5 | 180.0° | 54.9° |
| O1P | P | O2P | H19 | 0.0° | 180.0° |
| O51 | C51 | C41 | H23 | 120.3° | 120.1° |
| O51 | C51 | C41 | H24 | 120.3° | 120.0° |
| O51 | C51 | C41 | O41 | 56.9° | 66.4° |
| O51 | C51 | C41 | C31 | 175.2° | 178.2° |
| O51 | C51 | C41 | H20 | 63.4° | 55.9° |
| O51 | C51 | H23 | H24 | 119.0° | 120.0° |
| O32 | P | O5 | O2P | 115.3° | 119.9° |
| O32 | P | O5 | C5 | 63.8° | 175.0° |
| O32 | P | O2P | H19 | 126.7° | 60.0° |
| P | O32 | C32 | H27 | 19.2° | 2.7° |
| P | O5 | C5 | C4 | 173.2° | 180.0° |
| P | O5 | C5 | H6 | 66.5° | 60.0° |
| P | O5 | C5 | H7 | 52.9° | 60.0° |
| O5 | P | O2P | H19 | 123.5° | 59.9° |
| O2P | P | O5 | C5 | 51.6° | 65.1° |
| C51 | C41 | O41 | C31 | 124.9° | 118.8° |
| C51 | C41 | O41 | H20 | 119.9° | 122.4° |
| C51 | C41 | C31 | H20 | 121.5° | 122.3° |
| C51 | C41 | O41 | C11 | 132.1° | 159.3° |
| C51 | C41 | C31 | O31 | 83.4° | 98.6° |
| C51 | C41 | C31 | C21 | 159.5° | 142.8° |
| C51 | C41 | C31 | H22 | 43.6° | 24.0° |
| C41 | C51 | H23 | H24 | 119.1° | 120.0° |
| C41 | C51 | O51 | H25 | 180.0° | 180.0° |
| O5 | C5 | C4 | O4 | 67.5° | 65.0° |
| O5 | C5 | C4 | H6 | 120.3° | 120.0° |
| O5 | C5 | C4 | H7 | 120.3° | 120.0° |
| O5 | C5 | C4 | C3 | 54.3° | 175.0° |
| O5 | C5 | C4 | H5 | 173.6° | 55.0° |
| O5 | C5 | H6 | H7 | 119.1° | 120.0° |
| O41 | C41 | C31 | H20 | 116.0° | 118.8° |
| O41 | C41 | C31 | O31 | 154.1° | 142.6° |
| O41 | C41 | C31 | C21 | 37.0° | 24.0° |
| C41 | O41 | C11 | O1 | 89.4° | 159.4° |
| C41 | O41 | C11 | C21 | 25.6° | 40.5° |
| C41 | O41 | C11 | H12 | 144.1° | 78.5° |
| O41 | C41 | C31 | H22 | 79.0° | 94.8° |
| O41 | C41 | C51 | H23 | 63.4° | 173.5° |
| O41 | C41 | C51 | H24 | 177.2° | 53.6° |
| C31 | C41 | O41 | C11 | 7.2° | 40.5° |
| C41 | C31 | O31 | C21 | 110.2° | 114.7° |
| C41 | C31 | O31 | H22 | 126.2° | 122.6° |
| C41 | C31 | C21 | H22 | 116.0° | 118.7° |
| C41 | C31 | O31 | P1 | 152.9° | 120.0° |
| C41 | C31 | C21 | C11 | 50.3° | 0.0° |
| C41 | C31 | C21 | O21 | 68.4° | 118.7° |
| C41 | C31 | C21 | H14 | 165.7° | 118.6° |
| C31 | C41 | C51 | H23 | 54.9° | 58.1° |
| C31 | C41 | C51 | H24 | 64.5° | 61.8° |
| O41 | C11 | C21 | C31 | 47.6° | 24.0° |
| O41 | C11 | O1 | C1 | 71.5° | 66.4° |
| O41 | C11 | O1 | C21 | 111.9° | 115.4° |
| O41 | C11 | O1 | H12 | 126.2° | 122.2° |
| O41 | C11 | C21 | H12 | 119.8° | 118.9° |
| O41 | C11 | C21 | O21 | 68.7° | 142.7° |
| O41 | C11 | C21 | H14 | 163.1° | 94.6° |
| C11 | O41 | C41 | H20 | 108.0° | 78.3° |
| O4 | C4 | C5 | C3 | 121.8° | 120.0° |
| O4 | C4 | C5 | H5 | 118.9° | 120.1° |
| O4 | C4 | C3 | H5 | 120.3° | 120.0° |
| O4 | C4 | C3 | C2 | 60.0° | 60.0° |
| O4 | C4 | C3 | O3 | 177.7° | 180.0° |
| O4 | C4 | C3 | H4 | 60.6° | 60.0° |
| O4 | C4 | C5 | H6 | 172.2° | 175.0° |
| O4 | C4 | C5 | H7 | 52.8° | 54.9° |
| C5 | C4 | C3 | H5 | 119.5° | 120.0° |
| C5 | C4 | C3 | C2 | 179.7° | 180.0° |
| C5 | C4 | C3 | O3 | 57.5° | 60.0° |
| C5 | C4 | C3 | H4 | 59.6° | 60.0° |
| C4 | C5 | H6 | H7 | 119.2° | 120.1° |
| C5 | C4 | O4 | H18 | 180.0° | 60.0° |
| O31 | C31 | C21 | H22 | 124.4° | 122.6° |
| O31 | C31 | C21 | C11 | 169.9° | 118.7° |
| C31 | O31 | P1 | O12 | 90.4° | 55.0° |
| O31 | C31 | C21 | O21 | 51.2° | 0.0° |
| C31 | O31 | P1 | O10 | 154.4° | 175.0° |
| C31 | O31 | P1 | O13 | 37.2° | 65.0° |
| O31 | C31 | C21 | H14 | 74.7° | 122.7° |
| O31 | C31 | C41 | H20 | 38.1° | 23.8° |
| C21 | C31 | O31 | P1 | 96.9° | 125.3° |
| C31 | C21 | C11 | O1 | 69.4° | 142.8° |
| C31 | C21 | C11 | O21 | 116.3° | 118.8° |
| C31 | C21 | C11 | H14 | 115.5° | 118.6° |
| C31 | C21 | O21 | H14 | 124.9° | 122.7° |
| C31 | C21 | C11 | H12 | 167.4° | 94.9° |
| C21 | C31 | C41 | H20 | 79.0° | 94.8° |
| C31 | C21 | O21 | H21 | 180.0° | 176.1° |
| C4 | C3 | C2 | C1 | 62.4° | 180.0° |
| C4 | C3 | C2 | O3 | 122.2° | 120.0° |
| C4 | C3 | C2 | H4 | 120.7° | 120.0° |
| C4 | C3 | O3 | H4 | 116.2° | 120.1° |
| C4 | C3 | C2 | O2 | 61.1° | 60.0° |
| C4 | C3 | C2 | H3 | 178.4° | 60.0° |
| C3 | C4 | C5 | H6 | 65.9° | 55.0° |
| C3 | C4 | C5 | H7 | 174.6° | 65.0° |
| C4 | C3 | O3 | H17 | 180.0° | 60.0° |
| C3 | C4 | O4 | H18 | 57.7° | 60.0° |
| O1 | C1 | C2 | H1 | 119.9° | 120.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | O1 | C11 | C21 | 176.6° | 178.1° |
| O1 | C1 | C2 | C3 | 162.9° | 175.0° |
| O1 | C1 | C2 | O2 | 73.1° | 65.0° |
| O1 | C1 | H1 | H2 | 120.1° | 120.0° |
| O1 | C1 | C2 | H3 | 43.8° | 55.0° |
| C1 | O1 | C11 | H12 | 54.7° | 55.8° |
| C2 | C1 | O1 | C11 | 74.8° | 180.0° |
| C1 | C2 | C3 | O2 | 123.5° | 120.0° |
| C1 | C2 | C3 | H3 | 119.2° | 120.0° |
| C1 | C2 | C3 | O3 | 175.4° | 60.0° |
| C1 | C2 | O2 | H3 | 116.2° | 120.0° |
| C2 | C1 | H1 | H2 | 120.1° | 120.0° |
| C1 | C2 | C3 | H4 | 58.3° | 60.0° |
| C1 | C2 | O2 | H16 | 180.0° | 60.0° |
| O31 | P1 | O12 | O10 | 111.2° | 120.0° |
| O31 | P1 | O12 | O13 | 124.4° | 120.0° |
| O31 | P1 | O10 | O13 | 117.3° | 120.0° |
| O31 | P1 | O10 | C10 | 54.3° | 175.0° |
| O31 | P1 | O13 | H13 | 123.6° | 60.0° |
| P1 | O31 | C31 | H22 | 26.7° | 2.6° |
| O1 | C11 | C21 | H12 | 123.2° | 122.3° |
| O1 | C11 | C21 | O21 | 174.3° | 98.4° |
| C11 | O1 | C1 | H1 | 45.1° | 60.0° |
| C11 | O1 | C1 | H2 | 165.2° | 60.0° |
| O1 | C11 | C21 | H14 | 46.1° | 24.2° |
| C11 | C21 | O21 | H14 | 127.3° | 122.6° |
| C11 | C21 | O21 | H21 | 72.1° | 61.5° |
| C11 | C21 | C31 | H22 | 65.7° | 118.7° |
| C2 | C3 | O3 | H4 | 116.3° | 119.9° |
| C3 | C2 | O2 | H3 | 116.5° | 120.0° |
| C3 | C2 | C1 | H1 | 42.9° | 65.0° |
| C3 | C2 | C1 | H2 | 77.2° | 55.1° |
| C2 | C3 | C4 | H5 | 60.3° | 60.0° |
| C3 | C2 | O2 | H16 | 52.7° | 60.0° |
| C2 | C3 | O3 | H17 | 52.6° | 60.0° |
| O3 | C3 | C2 | O2 | 61.1° | 180.0° |
| O3 | C3 | C2 | H3 | 56.2° | 60.0° |
| O3 | C3 | C4 | H5 | 62.0° | 60.0° |
| O12 | P1 | O10 | O13 | 127.6° | 120.0° |
| O12 | P1 | O10 | C10 | 169.4° | 55.0° |
| O12 | P1 | O13 | H13 | 0.0° | 180.0° |
| O21 | C21 | C11 | H12 | 51.1° | 23.8° |
| O21 | C21 | C31 | H22 | 175.6° | 122.6° |
| O2 | C2 | C1 | H1 | 166.9° | 55.0° |
| O2 | C2 | C1 | H2 | 46.8° | 175.0° |
| O2 | C2 | C3 | H4 | 178.2° | 60.0° |
| P1 | O10 | C10 | C9 | 33.1° | 180.0° |
| O10 | P1 | O13 | H13 | 123.8° | 60.0° |
| P1 | O10 | C10 | H39 | 154.4° | 60.0° |
| P1 | O10 | C10 | H40 | 88.2° | 59.9° |
| O13 | P1 | O10 | C10 | 63.0° | 65.0° |
| O10 | C10 | C9 | H39 | 121.3° | 120.0° |
| O10 | C10 | C9 | H40 | 121.3° | 120.1° |
| O10 | C10 | C9 | C8 | 171.3° | 175.0° |
| O10 | C10 | C9 | O9 | 49.2° | 65.0° |
| O10 | C10 | C9 | H11 | 69.5° | 55.0° |
| O10 | C10 | H39 | H40 | 115.9° | 120.1° |
| O7 | C7 | C6 | O6 | 59.8° | 65.0° |
| O7 | C7 | C6 | C8 | 121.9° | 120.0° |
| O7 | C7 | C6 | H9 | 119.2° | 120.0° |
| O7 | C7 | C8 | H9 | 119.2° | 119.9° |
| O7 | C7 | C8 | C9 | 57.1° | 60.0° |
| O7 | C7 | C8 | O8 | 179.4° | 180.0° |
| O7 | C7 | C6 | H31 | 179.8° | 55.0° |
| O7 | C7 | C6 | H32 | 60.5° | 175.0° |
| O7 | C7 | C8 | H37 | 62.5° | 60.1° |
| C10 | C9 | C8 | C7 | 56.3° | 180.0° |
| C10 | C9 | C8 | O9 | 122.3° | 120.0° |
| C10 | C9 | C8 | H11 | 119.3° | 120.0° |
| C10 | C9 | O9 | H11 | 118.0° | 120.0° |
| C10 | C9 | C8 | O8 | 65.9° | 60.0° |
| C10 | C9 | C8 | H37 | 176.0° | 60.0° |
| C10 | C9 | O9 | H38 | 180.0° | 60.0° |
| C9 | C10 | H39 | H40 | 115.9° | 120.0° |
| O6 | C6 | C7 | H31 | 120.3° | 120.0° |
| O6 | C6 | C7 | H32 | 120.3° | 120.0° |
| O6 | C6 | C7 | C8 | 178.2° | 175.0° |
| O6 | C6 | C7 | H9 | 59.4° | 55.0° |
| O6 | C6 | H31 | H32 | 119.1° | 120.0° |
| C6 | C7 | C8 | H9 | 119.0° | 120.1° |
| C6 | C7 | C8 | C9 | 179.0° | 180.0° |
| C6 | C7 | C8 | O8 | 58.7° | 60.0° |
| C7 | C6 | O6 | H8 | 180.0° | 180.0° |
| C7 | C6 | H31 | H32 | 119.1° | 120.0° |
| C6 | C7 | O7 | H36 | 180.0° | 60.0° |
| C6 | C7 | C8 | H37 | 59.4° | 60.0° |
| C7 | C8 | C9 | O8 | 122.2° | 120.0° |
| C7 | C8 | C9 | H37 | 119.6° | 120.0° |
| C7 | C8 | C9 | O9 | 178.6° | 60.0° |
| C7 | C8 | O8 | H37 | 117.3° | 120.0° |
| C7 | C8 | O8 | H10 | 180.0° | 60.0° |
| C7 | C8 | C9 | H11 | 63.0° | 60.0° |
| C8 | C7 | C6 | H31 | 57.9° | 65.0° |
| C8 | C7 | C6 | H32 | 61.4° | 55.0° |
| C8 | C7 | O7 | H36 | 56.8° | 60.1° |
| C8 | C9 | O9 | H11 | 117.6° | 120.0° |
| C9 | C8 | O8 | H37 | 117.3° | 120.0° |
| C9 | C8 | C7 | H9 | 62.0° | 59.9° |
| C9 | C8 | O8 | H10 | 54.6° | 60.1° |
| C8 | C9 | O9 | H38 | 55.5° | 60.1° |
| C8 | C9 | C10 | H39 | 50.0° | 55.0° |
| C8 | C9 | C10 | H40 | 67.4° | 64.9° |
| O9 | C9 | C8 | O8 | 56.4° | 180.0° |
| O9 | C9 | C8 | H37 | 61.7° | 60.1° |
| O9 | C9 | C10 | H39 | 72.1° | 175.0° |
| O9 | C9 | C10 | H40 | 170.5° | 55.1° |
| O8 | C8 | C7 | H9 | 60.3° | 60.1° |
| O8 | C8 | C9 | H11 | 174.8° | 60.0° |
| H1 | C1 | C2 | H3 | 76.2° | 175.0° |
| H2 | C1 | C2 | H3 | 163.7° | 64.9° |
| H3 | C2 | C3 | H4 | 60.9° | 180.0° |
| H3 | C2 | O2 | H16 | 63.8° | 180.0° |
| H4 | C3 | C4 | H5 | 179.1° | 180.0° |
| H4 | C3 | O3 | H17 | 63.7° | 179.9° |
| H5 | C4 | C5 | H6 | 53.4° | 65.0° |
| H5 | C4 | C5 | H7 | 66.1° | 175.0° |
| H5 | C4 | O4 | H18 | 61.8° | 180.0° |
| H8 | O6 | C6 | H31 | 59.7° | 60.0° |
| H8 | O6 | C6 | H32 | 59.7° | 60.0° |
| H9 | C7 | C6 | H31 | 61.0° | 175.0° |
| H9 | C7 | C6 | H32 | 179.7° | 65.1° |
| H9 | C7 | O7 | H36 | 61.5° | 180.0° |
| H9 | C7 | C8 | H37 | 178.3° | 180.0° |
| H10 | O8 | C8 | H37 | 62.7° | 180.0° |
| H11 | C9 | C8 | H37 | 56.7° | 179.9° |
| H11 | C9 | O9 | H38 | 62.0° | 180.0° |
| H11 | C9 | C10 | H39 | 169.2° | 65.0° |
| H11 | C9 | C10 | H40 | 51.8° | 175.1° |
| H12 | C11 | C21 | H14 | 77.1° | 146.5° |
| H14 | C21 | O21 | H21 | 55.1° | 61.2° |
| H14 | C21 | C31 | H22 | 49.7° | 0.1° |
| H15 | C22 | C12 | H26 | 80.5° | 146.5° |
| H15 | C22 | C32 | H27 | 52.8° | 0.0° |
| H15 | C22 | O22 | H34 | 52.3° | 61.1° |
| H20 | C41 | C31 | H22 | 165.0° | 146.4° |
| H20 | C41 | C51 | H23 | 176.3° | 64.2° |
| H20 | C41 | C51 | H24 | 56.9° | 175.9° |
| H23 | C51 | O51 | H25 | 59.7° | 60.0° |
| H24 | C51 | O51 | H25 | 59.7° | 60.0° |
| H26 | C12 | O11 | H33 | 59.6° | 60.8° |
| H27 | C32 | C42 | H28 | 169.7° | 146.5° |
| H28 | C42 | C52 | H29 | 61.6° | 67.2° |
| H28 | C42 | C52 | H30 | 179.1° | 172.7° |
| H29 | C52 | O52 | H35 | 168.7° | 60.0° |
| H30 | C52 | O52 | H35 | 49.4° | 60.0° |
