WSF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C31 | doub | 1.21Å | 1.20Å | |
| C3 | O31 | sing | 1.45Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C31 | O31 | sing | 1.34Å | 1.33Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O11 | sing | 1.43Å | 1.44Å | |
| O14 | P | doub | 1.48Å | 1.48Å | |
| C2 | O21 | sing | 1.45Å | 1.46Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| O11 | P | sing | 1.61Å | 1.60Å | |
| O21 | C21 | sing | 1.34Å | 1.34Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| P | O13 | sing | 1.61Å | 1.59Å | |
| P | O12 | sing | 1.61Å | 1.48Å | |
| C11 | O13 | sing | 1.43Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | O22 | doub | 1.21Å | 1.20Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| C39 | C3A | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 2.46Å | |
| C13 | C15 | sing | 1.53Å | 2.43Å | |
| C13 | C14 | sing | 1.53Å | 2.43Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C39 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C3A | H49 | sing | 1.09Å | 1.10Å | |
| C3A | H50 | sing | 1.09Å | 1.10Å | |
| C3A | H51 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | C31 | O31 | 123.7° | 120.0° |
| O32 | C31 | C32 | 124.8° | 120.0° |
| O31 | C3 | C2 | 109.5° | 109.5° |
| C3 | O31 | C31 | 117.1° | 117.0° |
| O31 | C3 | H31 | 109.5° | 109.5° |
| O31 | C3 | H32 | 109.5° | 109.4° |
| C3 | C2 | C1 | 111.6° | 109.5° |
| C3 | C2 | O21 | 106.4° | 109.5° |
| C3 | C2 | H15 | 109.7° | 109.5° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C2 | C3 | H32 | 109.5° | 109.5° |
| O31 | C31 | C32 | 111.5° | 120.0° |
| C31 | C32 | C33 | 114.1° | 109.5° |
| C31 | C32 | H33 | 108.3° | 109.5° |
| C31 | C32 | H34 | 108.3° | 109.5° |
| C2 | C1 | O11 | 110.3° | 109.4° |
| C1 | C2 | O21 | 109.0° | 109.5° |
| C2 | C1 | H13 | 109.3° | 109.4° |
| C2 | C1 | H14 | 109.2° | 109.5° |
| C1 | C2 | H15 | 109.7° | 109.5° |
| C1 | O11 | P | 120.6° | 123.0° |
| O11 | C1 | H13 | 109.2° | 109.5° |
| O11 | C1 | H14 | 109.3° | 109.5° |
| O14 | P | O11 | 110.8° | 109.5° |
| O14 | P | O13 | 108.9° | 109.5° |
| O14 | P | O12 | 118.6° | 109.5° |
| C2 | O21 | C21 | 117.6° | 117.1° |
| O21 | C2 | H15 | 110.3° | 109.4° |
| C32 | C33 | C34 | 113.4° | 109.5° |
| C33 | C32 | H33 | 108.3° | 109.4° |
| C33 | C32 | H34 | 108.3° | 109.4° |
| C32 | C33 | H35 | 108.5° | 109.4° |
| C32 | C33 | H36 | 108.4° | 109.5° |
| O11 | P | O13 | 105.0° | 109.5° |
| O11 | P | O12 | 106.7° | 109.5° |
| O21 | C21 | C22 | 111.3° | 120.0° |
| O21 | C21 | O22 | 123.8° | 119.9° |
| C28 | C27 | C26 | 114.3° | 109.5° |
| C28 | C27 | H26 | 108.3° | 109.5° |
| C28 | C27 | H27 | 108.2° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C28 | H29 | 109.5° | 109.5° |
| C27 | C28 | H30 | 109.5° | 109.4° |
| O13 | P | O12 | 105.9° | 109.5° |
| P | O13 | C11 | 123.4° | 123.0° |
| P | O12 | H1 | 109.5° | 114.0° |
| O13 | C11 | C12 | 103.7° | 109.5° |
| O13 | C11 | H2 | 110.9° | 109.5° |
| O13 | C11 | H3 | 110.9° | 109.5° |
| C11 | C12 | C13 | 150.1° | 109.5° |
| C12 | C11 | H2 | 110.9° | 109.5° |
| C12 | C11 | H3 | 110.9° | 109.4° |
| C11 | C12 | H4 | 98.6° | 109.4° |
| C11 | C12 | H5 | 98.6° | 109.4° |
| C22 | C21 | O22 | 124.9° | 120.0° |
| C21 | C22 | C23 | 113.7° | 109.5° |
| C21 | C22 | H16 | 108.4° | 109.5° |
| C21 | C22 | H17 | 108.4° | 109.4° |
| C33 | C34 | C35 | 114.2° | 109.5° |
| C34 | C33 | H35 | 108.5° | 109.5° |
| C34 | C33 | H36 | 108.5° | 109.5° |
| C33 | C34 | H37 | 108.3° | 109.4° |
| C33 | C34 | H38 | 108.3° | 109.4° |
| C22 | C23 | C24 | 112.2° | 109.4° |
| C23 | C22 | H16 | 108.4° | 109.5° |
| C23 | C22 | H17 | 108.4° | 109.5° |
| C22 | C23 | H18 | 108.8° | 109.5° |
| C22 | C23 | H19 | 108.8° | 109.4° |
| C23 | C24 | C25 | 115.7° | 109.5° |
| C24 | C23 | H18 | 108.8° | 109.5° |
| C24 | C23 | H19 | 108.8° | 109.5° |
| C23 | C24 | H20 | 107.9° | 109.5° |
| C23 | C24 | H21 | 107.9° | 109.5° |
| C24 | C25 | C26 | 112.9° | 109.5° |
| C25 | C24 | H20 | 107.9° | 109.5° |
| C25 | C24 | H21 | 107.9° | 109.4° |
| C24 | C25 | H22 | 108.6° | 109.5° |
| C24 | C25 | H23 | 108.6° | 109.4° |
| C25 | C26 | C27 | 115.1° | 109.5° |
| C26 | C25 | H22 | 108.6° | 109.5° |
| C26 | C25 | H23 | 108.6° | 109.5° |
| C25 | C26 | H24 | 108.0° | 109.5° |
| C25 | C26 | H25 | 108.0° | 109.4° |
| C27 | C26 | H24 | 108.0° | 109.5° |
| C27 | C26 | H25 | 108.0° | 109.4° |
| C26 | C27 | H26 | 108.2° | 109.5° |
| C26 | C27 | H27 | 108.3° | 109.4° |
| C34 | C35 | C36 | 114.9° | 109.5° |
| C35 | C34 | H37 | 108.3° | 109.5° |
| C35 | C34 | H38 | 108.3° | 109.5° |
| C34 | C35 | H39 | 108.1° | 109.5° |
| C34 | C35 | H40 | 108.1° | 109.5° |
| C35 | C36 | C37 | 113.3° | 109.5° |
| C36 | C35 | H39 | 108.1° | 109.5° |
| C36 | C35 | H40 | 108.1° | 109.5° |
| C35 | C36 | H41 | 108.5° | 109.4° |
| C35 | C36 | H42 | 108.5° | 109.4° |
| C36 | C37 | C38 | 115.8° | 109.5° |
| C37 | C36 | H41 | 108.5° | 109.5° |
| C37 | C36 | H42 | 108.5° | 109.5° |
| C36 | C37 | H43 | 107.8° | 109.5° |
| C36 | C37 | H44 | 107.8° | 109.5° |
| C37 | C38 | C39 | 114.1° | 109.5° |
| C38 | C37 | H43 | 107.9° | 109.5° |
| C38 | C37 | H44 | 107.9° | 109.5° |
| C37 | C38 | H45 | 108.3° | 109.5° |
| C37 | C38 | H46 | 108.3° | 109.5° |
| C38 | C39 | C3A | 114.3° | 109.4° |
| C39 | C38 | H45 | 108.3° | 109.4° |
| C39 | C38 | H46 | 108.3° | 109.5° |
| C38 | C39 | H47 | 108.2° | 109.4° |
| C38 | C39 | H48 | 108.2° | 109.5° |
| C3A | C39 | H47 | 108.3° | 109.5° |
| C3A | C39 | H48 | 108.3° | 109.5° |
| C39 | C3A | H49 | 109.5° | 109.5° |
| C39 | C3A | H50 | 109.4° | 109.5° |
| C39 | C3A | H51 | 109.5° | 109.4° |
| C12 | C13 | C15 | 60.7° | 109.5° |
| C12 | C13 | C14 | 61.0° | 109.4° |
| C13 | C12 | H4 | 98.6° | 109.5° |
| C13 | C12 | H5 | 98.6° | 109.5° |
| C12 | C13 | H6 | 143.7° | 109.5° |
| C15 | C13 | C14 | 60.1° | 109.4° |
| C15 | C13 | H6 | 144.7° | 109.4° |
| C13 | C15 | H10 | 109.5° | 109.5° |
| C13 | C15 | H11 | 109.5° | 109.5° |
| C13 | C15 | H12 | 109.4° | 109.5° |
| C14 | C13 | H6 | 144.7° | 109.5° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C13 | C14 | H8 | 109.4° | 109.5° |
| C13 | C14 | H9 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.4° | 109.4° |
| H8 | C14 | H9 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H12 | 109.5° | 109.4° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.4° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H28 | C28 | H30 | 109.5° | 109.4° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.4° |
| H37 | C34 | H38 | 109.5° | 109.5° |
| H39 | C35 | H40 | 109.5° | 109.4° |
| H41 | C36 | H42 | 109.5° | 109.5° |
| H43 | C37 | H44 | 109.5° | 109.4° |
| H45 | C38 | H46 | 109.5° | 109.5° |
| H47 | C39 | H48 | 109.5° | 109.5° |
| H49 | C3A | H50 | 109.5° | 109.5° |
| H49 | C3A | H51 | 109.5° | 109.5° |
| H50 | C3A | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C31 | O31 | C3 | 5.0° | 0.0° |
| O32 | C31 | O31 | C32 | 179.0° | 180.0° |
| O32 | C31 | C32 | C33 | 156.1° | 0.0° |
| O32 | C31 | C32 | H33 | 83.2° | 119.9° |
| O32 | C31 | C32 | H34 | 35.4° | 120.0° |
| O31 | C3 | C2 | H31 | 120.0° | 120.0° |
| O31 | C3 | C2 | H32 | 120.0° | 120.0° |
| C3 | O31 | C31 | C32 | 174.0° | 180.0° |
| O31 | C3 | C2 | C1 | 161.6° | 55.0° |
| O31 | C3 | C2 | O21 | 79.6° | 65.0° |
| O31 | C3 | C2 | H15 | 39.8° | 175.0° |
| O31 | C3 | H31 | H32 | 120.0° | 119.9° |
| C2 | C3 | O31 | C31 | 150.5° | 180.0° |
| C3 | C2 | C1 | O21 | 117.3° | 120.0° |
| C3 | C2 | C1 | H15 | 121.8° | 120.0° |
| C3 | C2 | C1 | O11 | 164.8° | 55.0° |
| C3 | C2 | O21 | H15 | 119.0° | 120.0° |
| C3 | C2 | O21 | C21 | 94.4° | 150.0° |
| C3 | C2 | C1 | H13 | 75.1° | 174.9° |
| C3 | C2 | C1 | H14 | 44.6° | 65.0° |
| C2 | C3 | H31 | H32 | 120.0° | 120.0° |
| O31 | C31 | C32 | C33 | 24.9° | 180.0° |
| C31 | O31 | C3 | H31 | 30.5° | 60.0° |
| C31 | O31 | C3 | H32 | 89.5° | 60.0° |
| O31 | C31 | C32 | H33 | 95.8° | 60.0° |
| O31 | C31 | C32 | H34 | 145.6° | 60.0° |
| C31 | C32 | C33 | H33 | 120.7° | 120.0° |
| C31 | C32 | C33 | H34 | 120.7° | 120.0° |
| C31 | C32 | C33 | C34 | 88.3° | 180.0° |
| C31 | C32 | H33 | H34 | 117.9° | 120.0° |
| C31 | C32 | C33 | H35 | 32.3° | 60.0° |
| C31 | C32 | C33 | H36 | 151.1° | 59.9° |
| C2 | C1 | O11 | H13 | 120.1° | 119.9° |
| C2 | C1 | O11 | H14 | 120.1° | 120.0° |
| C1 | C2 | O21 | H15 | 120.5° | 120.0° |
| C2 | C1 | O11 | P | 100.8° | 180.0° |
| C1 | C2 | O21 | C21 | 145.1° | 90.0° |
| C2 | C1 | H13 | H14 | 119.6° | 120.0° |
| C1 | C2 | C3 | H31 | 78.4° | 175.0° |
| C1 | C2 | C3 | H32 | 41.6° | 65.0° |
| C1 | O11 | P | O14 | 47.3° | 55.0° |
| O11 | C1 | C2 | O21 | 77.9° | 65.0° |
| C1 | O11 | P | O13 | 164.7° | 175.0° |
| C1 | O11 | P | O12 | 83.1° | 65.0° |
| O11 | C1 | H13 | H14 | 119.6° | 120.0° |
| O11 | C1 | C2 | H15 | 43.0° | 175.0° |
| O14 | P | O11 | O13 | 117.4° | 120.0° |
| O14 | P | O11 | O12 | 130.4° | 120.0° |
| O14 | P | O13 | O12 | 128.6° | 120.0° |
| O14 | P | O13 | C11 | 55.9° | 54.9° |
| O14 | P | O12 | H1 | 0.0° | 180.0° |
| C2 | O21 | C21 | C22 | 175.8° | 180.0° |
| C2 | O21 | C21 | O22 | 4.2° | 0.1° |
| O21 | C2 | C1 | H13 | 42.2° | 54.9° |
| O21 | C2 | C1 | H14 | 161.9° | 175.0° |
| O21 | C2 | C3 | H31 | 40.4° | 55.0° |
| O21 | C2 | C3 | H32 | 160.4° | 175.0° |
| C32 | C33 | C34 | H35 | 120.6° | 120.0° |
| C32 | C33 | C34 | H36 | 120.6° | 120.0° |
| C32 | C33 | C34 | C35 | 63.7° | 180.0° |
| C33 | C32 | H33 | H34 | 117.9° | 120.0° |
| C32 | C33 | H35 | H36 | 118.1° | 119.9° |
| C32 | C33 | C34 | H37 | 57.0° | 60.0° |
| C32 | C33 | C34 | H38 | 175.6° | 60.0° |
| O11 | P | O13 | O12 | 112.7° | 120.0° |
| O11 | P | O13 | C11 | 62.8° | 175.0° |
| O11 | P | O12 | H1 | 125.8° | 60.0° |
| P | O11 | C1 | H13 | 139.1° | 60.1° |
| P | O11 | C1 | H14 | 19.3° | 60.0° |
| O21 | C21 | C22 | O22 | 180.0° | 179.9° |
| O21 | C21 | C22 | C23 | 125.5° | 180.0° |
| C21 | O21 | C2 | H15 | 24.6° | 30.0° |
| O21 | C21 | C22 | H16 | 4.8° | 59.9° |
| O21 | C21 | C22 | H17 | 113.9° | 60.0° |
| C28 | C27 | C26 | C25 | 63.9° | 180.0° |
| C28 | C27 | C26 | H26 | 120.7° | 120.1° |
| C28 | C27 | C26 | H27 | 120.7° | 120.0° |
| C28 | C27 | C26 | H24 | 56.9° | 60.0° |
| C28 | C27 | C26 | H25 | 175.3° | 60.1° |
| C28 | C27 | H26 | H27 | 117.8° | 120.0° |
| C27 | C28 | H28 | H29 | 120.0° | 120.1° |
| C27 | C28 | H28 | H30 | 120.0° | 119.9° |
| C27 | C28 | H29 | H30 | 120.0° | 120.0° |
| P | O13 | C11 | C12 | 120.5° | 180.0° |
| O13 | P | O12 | H1 | 122.7° | 60.0° |
| P | O13 | C11 | H2 | 1.4° | 60.0° |
| P | O13 | C11 | H3 | 120.4° | 60.0° |
| O12 | P | O13 | C11 | 175.5° | 65.0° |
| O13 | C11 | C12 | H2 | 119.1° | 120.1° |
| O13 | C11 | C12 | H3 | 119.1° | 120.0° |
| O13 | C11 | C12 | C13 | 116.0° | 180.0° |
| O13 | C11 | H2 | H3 | 122.7° | 120.0° |
| O13 | C11 | C12 | H4 | 8.3° | 60.0° |
| O13 | C11 | C12 | H5 | 119.7° | 60.0° |
| C11 | C12 | C13 | H4 | 124.3° | 119.9° |
| C11 | C12 | C13 | H5 | 124.3° | 119.9° |
| C11 | C12 | C13 | C15 | 59.4° | 65.0° |
| C11 | C12 | C13 | C14 | 10.6° | 175.1° |
| C12 | C11 | H2 | H3 | 122.6° | 120.0° |
| C11 | C12 | H4 | H5 | 102.3° | 119.9° |
| C11 | C12 | C13 | H6 | 155.7° | 55.0° |
| C21 | C22 | C23 | H16 | 120.6° | 120.1° |
| C21 | C22 | C23 | H17 | 120.6° | 120.0° |
| C21 | C22 | C23 | C24 | 168.0° | 180.0° |
| C21 | C22 | H16 | H17 | 118.1° | 119.9° |
| C21 | C22 | C23 | H18 | 47.6° | 60.0° |
| C21 | C22 | C23 | H19 | 71.6° | 60.0° |
| O22 | C21 | C22 | C23 | 54.5° | 0.1° |
| O22 | C21 | C22 | H16 | 175.1° | 120.0° |
| O22 | C21 | C22 | H17 | 66.1° | 120.1° |
| C33 | C34 | C35 | H37 | 120.7° | 120.0° |
| C33 | C34 | C35 | H38 | 120.7° | 120.0° |
| C33 | C34 | C35 | C36 | 174.9° | 180.0° |
| C34 | C33 | C32 | H33 | 151.0° | 60.0° |
| C34 | C33 | C32 | H34 | 32.4° | 60.0° |
| C34 | C33 | H35 | H36 | 118.2° | 120.0° |
| C33 | C34 | H37 | H38 | 117.9° | 119.9° |
| C33 | C34 | C35 | H39 | 54.1° | 60.0° |
| C33 | C34 | C35 | H40 | 64.2° | 60.0° |
| C22 | C23 | C24 | H18 | 120.4° | 120.0° |
| C22 | C23 | C24 | H19 | 120.4° | 120.0° |
| C22 | C23 | C24 | C25 | 164.4° | 180.0° |
| C23 | C22 | H16 | H17 | 118.1° | 120.0° |
| C22 | C23 | H18 | H19 | 118.7° | 120.0° |
| C22 | C23 | C24 | H20 | 43.5° | 60.0° |
| C22 | C23 | C24 | H21 | 74.7° | 60.0° |
| C23 | C24 | C25 | H20 | 120.9° | 120.0° |
| C23 | C24 | C25 | H21 | 120.9° | 120.0° |
| C23 | C24 | C25 | C26 | 179.3° | 180.0° |
| C24 | C23 | C22 | H16 | 71.4° | 59.9° |
| C24 | C23 | C22 | H17 | 47.4° | 60.0° |
| C24 | C23 | H18 | H19 | 118.8° | 120.0° |
| C23 | C24 | H20 | H21 | 117.2° | 120.0° |
| C23 | C24 | C25 | H22 | 60.2° | 60.0° |
| C23 | C24 | C25 | H23 | 58.8° | 60.0° |
| C24 | C25 | C26 | H22 | 120.5° | 120.0° |
| C24 | C25 | C26 | H23 | 120.5° | 120.0° |
| C24 | C25 | C26 | C27 | 167.8° | 180.0° |
| C25 | C24 | C23 | H18 | 75.2° | 60.0° |
| C25 | C24 | C23 | H19 | 44.0° | 60.0° |
| C25 | C24 | H20 | H21 | 117.1° | 120.0° |
| C24 | C25 | H22 | H23 | 118.4° | 120.0° |
| C24 | C25 | C26 | H24 | 47.0° | 60.0° |
| C24 | C25 | C26 | H25 | 71.4° | 60.1° |
| C25 | C26 | C27 | H24 | 120.8° | 120.0° |
| C25 | C26 | C27 | H25 | 120.8° | 119.9° |
| C26 | C25 | C24 | H20 | 58.4° | 60.0° |
| C26 | C25 | C24 | H21 | 59.8° | 60.0° |
| C26 | C25 | H22 | H23 | 118.4° | 120.0° |
| C25 | C26 | H24 | H25 | 117.4° | 120.0° |
| C25 | C26 | C27 | H26 | 56.8° | 59.9° |
| C25 | C26 | C27 | H27 | 175.4° | 60.0° |
| C27 | C26 | C25 | H22 | 71.8° | 60.0° |
| C27 | C26 | C25 | H23 | 47.3° | 60.0° |
| C27 | C26 | H24 | H25 | 117.4° | 120.0° |
| C26 | C27 | H26 | H27 | 117.8° | 119.9° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C26 | C27 | C28 | H29 | 60.0° | 59.9° |
| C26 | C27 | C28 | H30 | 60.0° | 60.1° |
| C34 | C35 | C36 | H39 | 120.8° | 120.0° |
| C34 | C35 | C36 | H40 | 120.8° | 120.0° |
| C34 | C35 | C36 | C37 | 179.3° | 180.0° |
| C35 | C34 | C33 | H35 | 175.7° | 60.0° |
| C35 | C34 | C33 | H36 | 56.8° | 60.0° |
| C35 | C34 | H37 | H38 | 117.8° | 120.1° |
| C34 | C35 | H39 | H40 | 117.5° | 120.0° |
| C34 | C35 | C36 | H41 | 60.1° | 60.0° |
| C34 | C35 | C36 | H42 | 58.7° | 60.0° |
| C35 | C36 | C37 | H41 | 120.5° | 120.0° |
| C35 | C36 | C37 | H42 | 120.6° | 120.0° |
| C35 | C36 | C37 | C38 | 174.7° | 180.0° |
| C36 | C35 | C34 | H37 | 64.4° | 60.0° |
| C36 | C35 | C34 | H38 | 54.3° | 60.0° |
| C36 | C35 | H39 | H40 | 117.5° | 120.0° |
| C35 | C36 | H41 | H42 | 118.3° | 119.9° |
| C35 | C36 | C37 | H43 | 53.8° | 60.0° |
| C35 | C36 | C37 | H44 | 64.4° | 60.0° |
| C36 | C37 | C38 | H43 | 120.9° | 120.0° |
| C36 | C37 | C38 | H44 | 120.9° | 120.0° |
| C36 | C37 | C38 | C39 | 70.9° | 180.0° |
| C37 | C36 | C35 | H39 | 58.5° | 60.0° |
| C37 | C36 | C35 | H40 | 59.9° | 60.0° |
| C37 | C36 | H41 | H42 | 118.3° | 120.1° |
| C36 | C37 | H43 | H44 | 117.1° | 120.0° |
| C36 | C37 | C38 | H45 | 49.7° | 60.0° |
| C36 | C37 | C38 | H46 | 168.4° | 60.0° |
| C37 | C38 | C39 | H45 | 120.6° | 120.0° |
| C37 | C38 | C39 | H46 | 120.7° | 120.0° |
| C37 | C38 | C39 | C3A | 167.3° | 180.0° |
| C38 | C37 | C36 | H41 | 64.8° | 60.0° |
| C38 | C37 | C36 | H42 | 54.1° | 60.0° |
| C38 | C37 | H43 | H44 | 117.1° | 120.0° |
| C37 | C38 | H45 | H46 | 117.9° | 120.0° |
| C37 | C38 | C39 | H47 | 46.6° | 60.0° |
| C37 | C38 | C39 | H48 | 72.0° | 60.0° |
| C38 | C39 | C3A | H47 | 120.7° | 119.9° |
| C38 | C39 | C3A | H48 | 120.7° | 120.0° |
| C39 | C38 | C37 | H43 | 168.2° | 60.0° |
| C39 | C38 | C37 | H44 | 50.0° | 59.9° |
| C39 | C38 | H45 | H46 | 117.9° | 120.0° |
| C38 | C39 | H47 | H48 | 117.8° | 120.0° |
| C38 | C39 | C3A | H49 | 180.0° | 59.9° |
| C38 | C39 | C3A | H50 | 60.0° | 180.0° |
| C38 | C39 | C3A | H51 | 60.0° | 60.1° |
| C3A | C39 | C38 | H45 | 72.1° | 60.1° |
| C3A | C39 | C38 | H46 | 46.6° | 59.9° |
| C3A | C39 | H47 | H48 | 117.8° | 120.1° |
| C39 | C3A | H49 | H50 | 120.0° | 120.0° |
| C39 | C3A | H49 | H51 | 120.0° | 119.9° |
| C39 | C3A | H50 | H51 | 120.0° | 119.9° |
| C12 | C13 | C15 | C14 | 71.4° | 119.9° |
| C12 | C13 | C15 | H6 | 143.9° | 120.0° |
| C12 | C13 | C14 | H6 | 144.2° | 120.1° |
| C13 | C12 | C11 | H2 | 124.9° | 60.0° |
| C13 | C12 | C11 | H3 | 3.1° | 60.0° |
| C13 | C12 | H4 | H5 | 102.3° | 120.1° |
| C12 | C13 | C14 | H7 | 180.0° | 59.9° |
| C12 | C13 | C14 | H8 | 60.0° | 180.0° |
| C12 | C13 | C14 | H9 | 60.0° | 60.1° |
| C12 | C13 | C15 | H10 | 180.0° | 60.0° |
| C12 | C13 | C15 | H11 | 60.0° | 180.0° |
| C12 | C13 | C15 | H12 | 60.0° | 59.9° |
| C15 | C13 | C14 | H6 | 144.8° | 120.0° |
| C15 | C13 | C12 | H4 | 64.9° | 175.1° |
| C15 | C13 | C12 | H5 | 176.2° | 54.9° |
| C15 | C13 | C14 | H7 | 109.1° | 60.0° |
| C15 | C13 | C14 | H8 | 130.9° | 60.1° |
| C15 | C13 | C14 | H9 | 10.9° | 180.0° |
| C13 | C15 | H10 | H11 | 120.0° | 120.0° |
| C13 | C15 | H10 | H12 | 120.0° | 120.0° |
| C13 | C15 | H11 | H12 | 120.0° | 120.0° |
| C14 | C13 | C12 | H4 | 134.9° | 55.1° |
| C14 | C13 | C12 | H5 | 113.7° | 65.0° |
| C13 | C14 | H7 | H8 | 120.0° | 120.0° |
| C13 | C14 | H7 | H9 | 120.0° | 120.0° |
| C13 | C14 | H8 | H9 | 120.0° | 119.9° |
| C14 | C13 | C15 | H10 | 108.7° | 180.0° |
| C14 | C13 | C15 | H11 | 11.4° | 60.1° |
| C14 | C13 | C15 | H12 | 131.4° | 60.0° |
| H2 | C11 | C12 | H4 | 110.8° | 180.0° |
| H2 | C11 | C12 | H5 | 0.6° | 60.0° |
| H3 | C11 | C12 | H4 | 127.4° | 60.0° |
| H3 | C11 | C12 | H5 | 121.2° | 180.0° |
| H4 | C12 | C13 | H6 | 80.0° | 65.0° |
| H5 | C12 | C13 | H6 | 31.4° | 174.9° |
| H6 | C13 | C14 | H7 | 35.8° | 180.0° |
| H6 | C13 | C14 | H8 | 84.3° | 59.9° |
| H6 | C13 | C14 | H9 | 155.8° | 60.0° |
| H6 | C13 | C15 | H10 | 36.1° | 60.0° |
| H6 | C13 | C15 | H11 | 156.1° | 60.0° |
| H6 | C13 | C15 | H12 | 83.9° | 180.0° |
| H7 | C14 | H8 | H9 | 120.0° | 120.0° |
| H10 | C15 | H11 | H12 | 120.0° | 119.9° |
| H13 | C1 | C2 | H15 | 163.1° | 65.0° |
| H14 | C1 | C2 | H15 | 77.2° | 55.0° |
| H15 | C2 | C3 | H31 | 159.8° | 64.9° |
| H15 | C2 | C3 | H32 | 80.2° | 55.0° |
| H16 | C22 | C23 | H18 | 168.2° | 179.9° |
| H16 | C22 | C23 | H19 | 49.0° | 60.0° |
| H17 | C22 | C23 | H18 | 73.0° | 60.0° |
| H17 | C22 | C23 | H19 | 167.8° | 180.0° |
| H18 | C23 | C24 | H20 | 163.9° | 180.0° |
| H18 | C23 | C24 | H21 | 45.7° | 60.0° |
| H19 | C23 | C24 | H20 | 76.9° | 60.0° |
| H19 | C23 | C24 | H21 | 164.9° | 180.0° |
| H20 | C24 | C25 | H22 | 178.9° | 180.0° |
| H20 | C24 | C25 | H23 | 62.1° | 60.0° |
| H21 | C24 | C25 | H22 | 60.7° | 60.0° |
| H21 | C24 | C25 | H23 | 179.7° | 180.0° |
| H22 | C25 | C26 | H24 | 167.4° | 180.0° |
| H22 | C25 | C26 | H25 | 49.1° | 59.9° |
| H23 | C25 | C26 | H24 | 73.6° | 60.0° |
| H23 | C25 | C26 | H25 | 168.1° | 180.0° |
| H24 | C26 | C27 | H26 | 177.6° | 179.9° |
| H24 | C26 | C27 | H27 | 63.8° | 60.0° |
| H25 | C26 | C27 | H26 | 64.0° | 60.0° |
| H25 | C26 | C27 | H27 | 54.5° | 179.9° |
| H26 | C27 | C28 | H28 | 59.3° | 59.9° |
| H26 | C27 | C28 | H29 | 60.7° | 180.0° |
| H26 | C27 | C28 | H30 | 179.3° | 60.0° |
| H27 | C27 | C28 | H28 | 59.3° | 60.0° |
| H27 | C27 | C28 | H29 | 179.3° | 60.0° |
| H27 | C27 | C28 | H30 | 60.7° | 180.0° |
| H28 | C28 | H29 | H30 | 120.0° | 119.9° |
| H33 | C32 | C33 | H35 | 88.4° | 179.9° |
| H33 | C32 | C33 | H36 | 30.4° | 60.0° |
| H34 | C32 | C33 | H35 | 153.0° | 60.0° |
| H34 | C32 | C33 | H36 | 88.2° | 179.9° |
| H35 | C33 | C34 | H37 | 63.6° | 180.0° |
| H35 | C33 | C34 | H38 | 55.0° | 60.0° |
| H36 | C33 | C34 | H37 | 177.5° | 60.0° |
| H36 | C33 | C34 | H38 | 63.8° | 180.0° |
| H37 | C34 | C35 | H39 | 174.8° | 179.9° |
| H37 | C34 | C35 | H40 | 56.5° | 60.0° |
| H38 | C34 | C35 | H39 | 66.6° | 60.0° |
| H38 | C34 | C35 | H40 | 175.1° | 179.9° |
| H39 | C35 | C36 | H41 | 179.1° | 180.0° |
| H39 | C35 | C36 | H42 | 62.1° | 60.1° |
| H40 | C35 | C36 | H41 | 60.7° | 60.0° |
| H40 | C35 | C36 | H42 | 179.5° | 180.0° |
| H41 | C36 | C37 | H43 | 174.3° | 179.9° |
| H41 | C36 | C37 | H44 | 56.1° | 60.0° |
| H42 | C36 | C37 | H43 | 66.8° | 60.0° |
| H42 | C36 | C37 | H44 | 175.0° | 180.0° |
| H43 | C37 | C38 | H45 | 71.2° | 179.9° |
| H43 | C37 | C38 | H46 | 47.5° | 60.1° |
| H44 | C37 | C38 | H45 | 170.6° | 60.0° |
| H44 | C37 | C38 | H46 | 70.7° | 180.0° |
| H45 | C38 | C39 | H47 | 167.2° | 180.0° |
| H45 | C38 | C39 | H48 | 48.6° | 60.0° |
| H46 | C38 | C39 | H47 | 74.1° | 60.0° |
| H46 | C38 | C39 | H48 | 167.2° | 180.0° |
| H47 | C39 | C3A | H49 | 59.3° | 60.0° |
| H47 | C39 | C3A | H50 | 179.3° | 60.1° |
| H47 | C39 | C3A | H51 | 60.7° | 180.0° |
| H48 | C39 | C3A | H49 | 59.4° | 180.0° |
| H48 | C39 | C3A | H50 | 60.7° | 60.0° |
| H48 | C39 | C3A | H51 | 179.4° | 60.0° |
| H49 | C3A | H50 | H51 | 120.0° | 120.0° |
