LPY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | C34 | sing | 1.53Å | 1.56Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.56Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C40 | C42 | sing | 1.51Å | 1.52Å | |
| C42 | O7 | doub | 1.21Å | 1.22Å | |
| C42 | O9 | sing | 1.34Å | 1.44Å | |
| O9 | C45 | sing | 1.45Å | 1.44Å | |
| C45 | C15 | sing | 1.53Å | 1.54Å | |
| O8 | C15 | sing | 1.43Å | 1.40Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | O10 | sing | 1.43Å | 1.44Å | |
| O10 | P | sing | 1.61Å | 1.61Å | |
| O5 | P | doub | 1.48Å | 1.51Å | |
| P | O3 | sing | 1.61Å | 1.60Å | |
| P | O4 | sing | 1.61Å | 1.50Å | |
| O3 | C43 | sing | 1.43Å | 1.42Å | |
| O2 | C41 | sing | 1.43Å | 1.42Å | |
| C43 | C41 | sing | 1.53Å | 1.51Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C41 | C26 | sing | 1.53Å | 1.52Å | |
| C44 | O11 | sing | 1.43Å | 1.41Å | |
| C44 | C20 | sing | 1.53Å | 1.53Å | |
| C26 | O1 | sing | 1.43Å | 1.42Å | |
| C26 | C17 | sing | 1.53Å | 1.52Å | |
| C20 | C17 | sing | 1.53Å | 1.51Å | |
| C20 | O12 | sing | 1.43Å | 1.41Å | |
| C17 | O13 | sing | 1.43Å | 1.43Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| O8 | H4 | sing | 0.97Å | 0.95Å | |
| O11 | H5 | sing | 0.97Å | 0.95Å | |
| O12 | H6 | sing | 0.97Å | 0.95Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C35 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C45 | H42 | sing | 1.09Å | 1.10Å | |
| C45 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C30 | C31 | 109.5° | 109.5° |
| C30 | C29 | H14 | 109.5° | 109.4° |
| C30 | C29 | H15 | 109.5° | 109.4° |
| C30 | C29 | H16 | 109.4° | 109.4° |
| C29 | C30 | H17 | 109.4° | 109.5° |
| C29 | C30 | H18 | 109.4° | 109.5° |
| C30 | C31 | C32 | 109.4° | 109.5° |
| C31 | C30 | H17 | 109.5° | 109.4° |
| C31 | C30 | H18 | 109.5° | 109.5° |
| C30 | C31 | H19 | 109.5° | 109.5° |
| C30 | C31 | H20 | 109.5° | 109.5° |
| C31 | C32 | C33 | 109.6° | 109.5° |
| C32 | C31 | H19 | 109.5° | 109.5° |
| C32 | C31 | H20 | 109.5° | 109.5° |
| C31 | C32 | H21 | 109.4° | 109.5° |
| C31 | C32 | H22 | 109.4° | 109.5° |
| C32 | C33 | C34 | 109.4° | 109.5° |
| C33 | C32 | H21 | 109.4° | 109.4° |
| C33 | C32 | H22 | 109.5° | 109.5° |
| C32 | C33 | H23 | 109.5° | 109.4° |
| C32 | C33 | H24 | 109.5° | 109.5° |
| C33 | C34 | C35 | 109.5° | 109.5° |
| C34 | C33 | H23 | 109.5° | 109.5° |
| C34 | C33 | H24 | 109.5° | 109.5° |
| C33 | C34 | H25 | 109.5° | 109.5° |
| C33 | C34 | H26 | 109.5° | 109.5° |
| C34 | C35 | C36 | 109.6° | 109.5° |
| C35 | C34 | H25 | 109.5° | 109.5° |
| C35 | C34 | H26 | 109.5° | 109.4° |
| C34 | C35 | H27 | 109.5° | 109.5° |
| C34 | C35 | H28 | 109.4° | 109.4° |
| C35 | C36 | C37 | 109.5° | 109.5° |
| C36 | C35 | H27 | 109.4° | 109.5° |
| C36 | C35 | H28 | 109.4° | 109.5° |
| C35 | C36 | H29 | 109.5° | 109.5° |
| C35 | C36 | H30 | 109.5° | 109.5° |
| C36 | C37 | C38 | 109.4° | 109.5° |
| C37 | C36 | H29 | 109.4° | 109.4° |
| C37 | C36 | H30 | 109.4° | 109.5° |
| C36 | C37 | H31 | 109.5° | 109.4° |
| C36 | C37 | H32 | 109.5° | 109.5° |
| C37 | C38 | C39 | 109.6° | 109.5° |
| C38 | C37 | H31 | 109.5° | 109.5° |
| C38 | C37 | H32 | 109.5° | 109.5° |
| C37 | C38 | H33 | 109.4° | 109.4° |
| C37 | C38 | H34 | 109.4° | 109.4° |
| C38 | C39 | C40 | 109.4° | 109.5° |
| C39 | C38 | H33 | 109.4° | 109.5° |
| C39 | C38 | H34 | 109.4° | 109.5° |
| C38 | C39 | H35 | 109.5° | 109.5° |
| C38 | C39 | H36 | 109.5° | 109.5° |
| C39 | C40 | C42 | 109.5° | 109.5° |
| C40 | C39 | H35 | 109.5° | 109.4° |
| C40 | C39 | H36 | 109.5° | 109.4° |
| C39 | C40 | H37 | 109.4° | 109.4° |
| C39 | C40 | H38 | 109.4° | 109.4° |
| C40 | C42 | O7 | 120.0° | 120.0° |
| C40 | C42 | O9 | 120.0° | 120.0° |
| C42 | C40 | H37 | 109.5° | 109.5° |
| C42 | C40 | H38 | 109.5° | 109.5° |
| O7 | C42 | O9 | 120.0° | 120.0° |
| C42 | O9 | C45 | 113.9° | 117.0° |
| O9 | C45 | C15 | 109.5° | 109.5° |
| O9 | C45 | H42 | 109.5° | 109.5° |
| O9 | C45 | H43 | 109.5° | 109.5° |
| C45 | C15 | O8 | 109.5° | 109.5° |
| C45 | C15 | C16 | 109.5° | 109.5° |
| C45 | C15 | H8 | 108.7° | 109.5° |
| C15 | C45 | H42 | 109.5° | 109.5° |
| C15 | C45 | H43 | 109.5° | 109.4° |
| O8 | C15 | C16 | 109.5° | 109.5° |
| C15 | O8 | H4 | 109.5° | 114.0° |
| O8 | C15 | H8 | 110.7° | 109.4° |
| C15 | C16 | O10 | 109.5° | 109.5° |
| C16 | C15 | H8 | 109.0° | 109.5° |
| C15 | C16 | H9 | 109.5° | 109.5° |
| C15 | C16 | H10 | 109.5° | 109.5° |
| C16 | O10 | P | 118.5° | 123.0° |
| O10 | C16 | H9 | 109.5° | 109.5° |
| O10 | C16 | H10 | 109.5° | 109.4° |
| O10 | P | O5 | 109.5° | 109.5° |
| O10 | P | O3 | 109.5° | 109.5° |
| O10 | P | O4 | 109.5° | 109.4° |
| O5 | P | O3 | 109.4° | 109.5° |
| O5 | P | O4 | 109.5° | 109.5° |
| O3 | P | O4 | 109.4° | 109.5° |
| P | O3 | C43 | 118.5° | 123.0° |
| P | O4 | H3 | 109.5° | 114.0° |
| O3 | C43 | C41 | 108.9° | 109.5° |
| O3 | C43 | C44 | 108.9° | 109.4° |
| O3 | C43 | H40 | 109.8° | 109.4° |
| O2 | C41 | C43 | 108.9° | 109.5° |
| O2 | C41 | C26 | 108.9° | 109.5° |
| C41 | O2 | H2 | 109.5° | 114.0° |
| O2 | C41 | H39 | 109.8° | 109.5° |
| C41 | C43 | C44 | 112.1° | 109.5° |
| C43 | C41 | C26 | 112.1° | 109.4° |
| C43 | C41 | H39 | 108.6° | 109.5° |
| C41 | C43 | H40 | 108.6° | 109.5° |
| C43 | C44 | O11 | 109.0° | 109.5° |
| C43 | C44 | C20 | 112.1° | 109.4° |
| C44 | C43 | H40 | 108.6° | 109.5° |
| C43 | C44 | H41 | 108.5° | 109.5° |
| C41 | C26 | O1 | 109.0° | 109.4° |
| C41 | C26 | C17 | 112.1° | 109.5° |
| C41 | C26 | H13 | 108.5° | 109.5° |
| C26 | C41 | H39 | 108.5° | 109.5° |
| O11 | C44 | C20 | 109.0° | 109.4° |
| C44 | O11 | H5 | 109.5° | 114.0° |
| O11 | C44 | H41 | 109.9° | 109.5° |
| C44 | C20 | C17 | 112.1° | 109.5° |
| C44 | C20 | O12 | 109.0° | 109.5° |
| C44 | C20 | H12 | 108.4° | 109.5° |
| C20 | C44 | H41 | 108.4° | 109.5° |
| O1 | C26 | C17 | 109.0° | 109.5° |
| C26 | O1 | H1 | 109.5° | 114.0° |
| O1 | C26 | H13 | 109.9° | 109.4° |
| C26 | C17 | C20 | 112.1° | 109.5° |
| C26 | C17 | O13 | 108.9° | 109.5° |
| C26 | C17 | H11 | 108.6° | 109.5° |
| C17 | C26 | H13 | 108.5° | 109.5° |
| C17 | C20 | O12 | 108.9° | 109.5° |
| C20 | C17 | O13 | 108.9° | 109.4° |
| C20 | C17 | H11 | 108.6° | 109.4° |
| C17 | C20 | H12 | 108.5° | 109.5° |
| C20 | O12 | H6 | 109.5° | 114.0° |
| O12 | C20 | H12 | 109.9° | 109.4° |
| C17 | O13 | H7 | 109.5° | 114.0° |
| O13 | C17 | H11 | 109.8° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H14 | C29 | H15 | 109.4° | 109.5° |
| H14 | C29 | H16 | 109.5° | 109.5° |
| H15 | C29 | H16 | 109.5° | 109.5° |
| H17 | C30 | H18 | 109.5° | 109.5° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.4° |
| H23 | C33 | H24 | 109.5° | 109.4° |
| H25 | C34 | H26 | 109.4° | 109.4° |
| H27 | C35 | H28 | 109.5° | 109.4° |
| H29 | C36 | H30 | 109.5° | 109.4° |
| H31 | C37 | H32 | 109.5° | 109.4° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H35 | C39 | H36 | 109.4° | 109.4° |
| H37 | C40 | H38 | 109.5° | 109.5° |
| H42 | C45 | H43 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C30 | C31 | H17 | 120.0° | 120.0° |
| C29 | C30 | C31 | H18 | 120.0° | 120.0° |
| C29 | C30 | C31 | C32 | 171.5° | 180.0° |
| C30 | C29 | H14 | H15 | 120.0° | 120.0° |
| C30 | C29 | H14 | H16 | 120.0° | 120.0° |
| C30 | C29 | H15 | H16 | 120.0° | 119.9° |
| C29 | C30 | H17 | H18 | 119.9° | 120.1° |
| C29 | C30 | C31 | H19 | 68.5° | 60.0° |
| C29 | C30 | C31 | H20 | 51.5° | 60.0° |
| C30 | C31 | C32 | H19 | 120.0° | 120.0° |
| C30 | C31 | C32 | H20 | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 162.9° | 180.0° |
| C31 | C30 | C29 | H14 | 180.0° | 60.0° |
| C31 | C30 | C29 | H15 | 60.0° | 180.0° |
| C31 | C30 | C29 | H16 | 60.0° | 60.0° |
| C31 | C30 | H17 | H18 | 120.0° | 120.0° |
| C30 | C31 | H19 | H20 | 120.0° | 120.0° |
| C30 | C31 | C32 | H21 | 42.9° | 60.0° |
| C30 | C31 | C32 | H22 | 77.1° | 60.0° |
| C31 | C32 | C33 | H21 | 120.0° | 120.0° |
| C31 | C32 | C33 | H22 | 120.0° | 120.1° |
| C31 | C32 | C33 | C34 | 130.7° | NaN° |
| C32 | C31 | C30 | H17 | 51.5° | 60.0° |
| C32 | C31 | C30 | H18 | 68.5° | 60.0° |
| C32 | C31 | H19 | H20 | 120.0° | 120.0° |
| C31 | C32 | H21 | H22 | 119.9° | 120.0° |
| C31 | C32 | C33 | H23 | 10.7° | 60.0° |
| C31 | C32 | C33 | H24 | 109.3° | 59.9° |
| C32 | C33 | C34 | H23 | 120.0° | 120.0° |
| C32 | C33 | C34 | H24 | 120.0° | 120.0° |
| C32 | C33 | C34 | C35 | 148.8° | 180.0° |
| C33 | C32 | C31 | H19 | 77.1° | 60.0° |
| C33 | C32 | C31 | H20 | 42.9° | 60.0° |
| C33 | C32 | H21 | H22 | 120.0° | 119.9° |
| C32 | C33 | H23 | H24 | 120.0° | 120.0° |
| C32 | C33 | C34 | H25 | 91.2° | 60.0° |
| C32 | C33 | C34 | H26 | 28.8° | 60.0° |
| C33 | C34 | C35 | H25 | 120.0° | 120.1° |
| C33 | C34 | C35 | H26 | 120.0° | 120.0° |
| C33 | C34 | C35 | C36 | 157.2° | 180.0° |
| C34 | C33 | C32 | H21 | 109.3° | 60.0° |
| C34 | C33 | C32 | H22 | 10.7° | 59.9° |
| C34 | C33 | H23 | H24 | 120.0° | 120.0° |
| C33 | C34 | H25 | H26 | 120.0° | 120.0° |
| C33 | C34 | C35 | H27 | 82.8° | 59.9° |
| C33 | C34 | C35 | H28 | 37.2° | 60.0° |
| C34 | C35 | C36 | H27 | 120.0° | 120.0° |
| C34 | C35 | C36 | H28 | 120.0° | 120.0° |
| C34 | C35 | C36 | C37 | 173.4° | 180.0° |
| C35 | C34 | C33 | H23 | 28.8° | 60.0° |
| C35 | C34 | C33 | H24 | 91.3° | 60.0° |
| C35 | C34 | H25 | H26 | 120.0° | 119.9° |
| C34 | C35 | H27 | H28 | 120.0° | 119.9° |
| C34 | C35 | C36 | H29 | 66.6° | 60.0° |
| C34 | C35 | C36 | H30 | 53.5° | 60.0° |
| C35 | C36 | C37 | H29 | 120.0° | 120.0° |
| C35 | C36 | C37 | H30 | 120.0° | 120.0° |
| C35 | C36 | C37 | C38 | 163.3° | 180.0° |
| C36 | C35 | C34 | H25 | 37.2° | 59.9° |
| C36 | C35 | C34 | H26 | 82.8° | 60.0° |
| C36 | C35 | H27 | H28 | 119.9° | 120.0° |
| C35 | C36 | H29 | H30 | 120.0° | 120.0° |
| C35 | C36 | C37 | H31 | 76.7° | 60.0° |
| C35 | C36 | C37 | H32 | 43.3° | 59.9° |
| C36 | C37 | C38 | H31 | 120.0° | 120.0° |
| C36 | C37 | C38 | H32 | 120.0° | 120.1° |
| C36 | C37 | C38 | C39 | 172.5° | 180.0° |
| C37 | C36 | C35 | H27 | 53.4° | 60.0° |
| C37 | C36 | C35 | H28 | 66.6° | 60.0° |
| C37 | C36 | H29 | H30 | 119.9° | 119.9° |
| C36 | C37 | H31 | H32 | 120.0° | 119.9° |
| C36 | C37 | C38 | H33 | 67.4° | 60.0° |
| C36 | C37 | C38 | H34 | 52.5° | 60.0° |
| C37 | C38 | C39 | H33 | 120.0° | 120.0° |
| C37 | C38 | C39 | H34 | 120.0° | 119.9° |
| C37 | C38 | C39 | C40 | 154.6° | 180.0° |
| C38 | C37 | C36 | H29 | 43.3° | 60.0° |
| C38 | C37 | C36 | H30 | 76.7° | 60.0° |
| C38 | C37 | H31 | H32 | 120.0° | 120.0° |
| C37 | C38 | H33 | H34 | 119.9° | 119.9° |
| C37 | C38 | C39 | H35 | 85.4° | 60.0° |
| C37 | C38 | C39 | H36 | 34.6° | 60.0° |
| C38 | C39 | C40 | H35 | 120.0° | 120.1° |
| C38 | C39 | C40 | H36 | 120.0° | 120.0° |
| C38 | C39 | C40 | C42 | 173.9° | 179.9° |
| C39 | C38 | C37 | H31 | 52.6° | 60.0° |
| C39 | C38 | C37 | H32 | 67.5° | 60.0° |
| C39 | C38 | H33 | H34 | 120.0° | 120.0° |
| C38 | C39 | H35 | H36 | 120.0° | 120.0° |
| C38 | C39 | C40 | H37 | 66.0° | 60.0° |
| C38 | C39 | C40 | H38 | 53.9° | 60.0° |
| C39 | C40 | C42 | H37 | 120.0° | 119.9° |
| C39 | C40 | C42 | H38 | 120.0° | 120.0° |
| C39 | C40 | C42 | O7 | 61.9° | 0.1° |
| C39 | C40 | C42 | O9 | 118.1° | 179.9° |
| C40 | C39 | C38 | H33 | 34.6° | 60.0° |
| C40 | C39 | C38 | H34 | 85.4° | 60.1° |
| C40 | C39 | H35 | H36 | 120.0° | 119.9° |
| C39 | C40 | H37 | H38 | 119.9° | 119.9° |
| C40 | C42 | O7 | O9 | 180.0° | 179.9° |
| C40 | C42 | O9 | C45 | 137.1° | 180.0° |
| C42 | C40 | C39 | H35 | 54.0° | 60.0° |
| C42 | C40 | C39 | H36 | 66.0° | 59.9° |
| C42 | C40 | H37 | H38 | 120.0° | 120.1° |
| O7 | C42 | O9 | C45 | 42.9° | 0.1° |
| O7 | C42 | C40 | H37 | 178.1° | 120.0° |
| O7 | C42 | C40 | H38 | 58.1° | 119.9° |
| C42 | O9 | C45 | C15 | 147.3° | 179.9° |
| O9 | C42 | C40 | H37 | 1.9° | 60.1° |
| O9 | C42 | C40 | H38 | 121.9° | 59.9° |
| C42 | O9 | C45 | H42 | 92.7° | 60.1° |
| C42 | O9 | C45 | H43 | 27.3° | 60.0° |
| O9 | C45 | C15 | H42 | 120.0° | 120.0° |
| O9 | C45 | C15 | H43 | 120.0° | 120.0° |
| O9 | C45 | C15 | O8 | 26.3° | 65.0° |
| O9 | C45 | C15 | C16 | 146.4° | 175.0° |
| O9 | C45 | C15 | H8 | 94.7° | 54.9° |
| O9 | C45 | H42 | H43 | 120.0° | 120.0° |
| C45 | C15 | O8 | C16 | 120.1° | 120.0° |
| C45 | C15 | O8 | H8 | 119.8° | 120.0° |
| C45 | C15 | C16 | H8 | 118.8° | 120.1° |
| C45 | C15 | C16 | O10 | 146.4° | 175.0° |
| C45 | C15 | O8 | H4 | 180.0° | 60.0° |
| C45 | C15 | C16 | H9 | 93.6° | 55.0° |
| C45 | C15 | C16 | H10 | 26.4° | 65.0° |
| C15 | C45 | H42 | H43 | 120.0° | 119.9° |
| O8 | C15 | C16 | H8 | 121.2° | 119.9° |
| O8 | C15 | C16 | O10 | 93.5° | 64.9° |
| O8 | C15 | C16 | H9 | 26.5° | 175.0° |
| O8 | C15 | C16 | H10 | 146.5° | 55.0° |
| O8 | C15 | C45 | H42 | 93.7° | 55.0° |
| O8 | C15 | C45 | H43 | 146.3° | 175.0° |
| C15 | C16 | O10 | H9 | 120.0° | 120.0° |
| C15 | C16 | O10 | H10 | 120.0° | 120.0° |
| C15 | C16 | O10 | P | 130.6° | 180.0° |
| C16 | C15 | O8 | H4 | 59.9° | 60.0° |
| C15 | C16 | H9 | H10 | 120.0° | 120.0° |
| C16 | C15 | C45 | H42 | 26.3° | 65.0° |
| C16 | C15 | C45 | H43 | 93.6° | 55.0° |
| C16 | O10 | P | O5 | 63.7° | 54.9° |
| C16 | O10 | P | O3 | 56.3° | 175.0° |
| C16 | O10 | P | O4 | 176.3° | 65.1° |
| O10 | C16 | C15 | H8 | 27.6° | 55.0° |
| O10 | C16 | H9 | H10 | 120.0° | 120.0° |
| O10 | P | O5 | O3 | 120.1° | 120.0° |
| O10 | P | O5 | O4 | 120.0° | 120.0° |
| O10 | P | O3 | O4 | 120.0° | 119.9° |
| O10 | P | O3 | C43 | 166.2° | 175.0° |
| O10 | P | O4 | H3 | 120.0° | 60.0° |
| P | O10 | C16 | H9 | 10.6° | 59.9° |
| P | O10 | C16 | H10 | 109.5° | 60.0° |
| O5 | P | O3 | O4 | 119.9° | 120.1° |
| O5 | P | O3 | C43 | 46.2° | 55.0° |
| O5 | P | O4 | H3 | 0.0° | 180.0° |
| P | O3 | C43 | C41 | 173.0° | 120.0° |
| P | O3 | C43 | C44 | 64.5° | 120.0° |
| O3 | P | O4 | H3 | 119.9° | 60.0° |
| P | O3 | C43 | H40 | 54.2° | 0.0° |
| O4 | P | O3 | C43 | 73.8° | 65.1° |
| O3 | C43 | C41 | O2 | 65.8° | 60.0° |
| O3 | C43 | C41 | C44 | 120.5° | 119.9° |
| O3 | C43 | C41 | H40 | 119.6° | 120.0° |
| O3 | C43 | C44 | H40 | 119.6° | 120.0° |
| O3 | C43 | C41 | C26 | 173.6° | 180.0° |
| O3 | C43 | C44 | O11 | 52.9° | 60.0° |
| O3 | C43 | C44 | C20 | 173.6° | 180.0° |
| O3 | C43 | C41 | H39 | 53.8° | 60.0° |
| O3 | C43 | C44 | H41 | 66.7° | 60.0° |
| O2 | C41 | C43 | C26 | 120.6° | 120.0° |
| O2 | C41 | C43 | H39 | 119.6° | 120.0° |
| O2 | C41 | C43 | C44 | 173.7° | 180.0° |
| O2 | C41 | C26 | H39 | 119.5° | 120.0° |
| O2 | C41 | C26 | O1 | 65.8° | 60.0° |
| O2 | C41 | C26 | C17 | 173.5° | 180.0° |
| O2 | C41 | C26 | H13 | 53.8° | 60.0° |
| O2 | C41 | C43 | H40 | 53.8° | 60.0° |
| C41 | C43 | C44 | H40 | 119.9° | 120.1° |
| C43 | C41 | C26 | H39 | 119.9° | 120.0° |
| C41 | C43 | C44 | O11 | 67.6° | 59.9° |
| C41 | C43 | C44 | C20 | 53.1° | 60.0° |
| C43 | C41 | C26 | O1 | 173.7° | 179.9° |
| C43 | C41 | C26 | C17 | 53.0° | 60.0° |
| C43 | C41 | O2 | H2 | 180.0° | 180.0° |
| C43 | C41 | C26 | H13 | 66.7° | 60.0° |
| C41 | C43 | C44 | H41 | 172.8° | 180.0° |
| C44 | C43 | C41 | C26 | 53.1° | 60.0° |
| C43 | C44 | O11 | C20 | 122.6° | 120.0° |
| C43 | C44 | O11 | H41 | 118.8° | 120.1° |
| C43 | C44 | C20 | H41 | 119.8° | 120.0° |
| C43 | C44 | C20 | C17 | 53.0° | 60.0° |
| C43 | C44 | C20 | O12 | 173.6° | 180.0° |
| C43 | C44 | O11 | H5 | 180.0° | 180.0° |
| C43 | C44 | C20 | H12 | 66.8° | 60.0° |
| C44 | C43 | C41 | H39 | 66.7° | 60.0° |
| C41 | C26 | O1 | C17 | 122.6° | 120.0° |
| C41 | C26 | O1 | H13 | 118.7° | 120.0° |
| C41 | C26 | C17 | H13 | 119.7° | 120.0° |
| C41 | C26 | C17 | C20 | 52.9° | 60.0° |
| C41 | C26 | C17 | O13 | 173.5° | 180.0° |
| C41 | C26 | O1 | H1 | 180.0° | 180.0° |
| C26 | C41 | O2 | H2 | 57.5° | 60.0° |
| C41 | C26 | C17 | H11 | 67.0° | 60.0° |
| C26 | C41 | C43 | H40 | 66.8° | 60.1° |
| O11 | C44 | C20 | H41 | 119.6° | 120.0° |
| O11 | C44 | C20 | C17 | 67.7° | 60.0° |
| O11 | C44 | C20 | O12 | 52.9° | 60.0° |
| O11 | C44 | C20 | H12 | 172.5° | 179.9° |
| O11 | C44 | C43 | H40 | 172.5° | 180.0° |
| C44 | C20 | C17 | C26 | 52.9° | 60.0° |
| C44 | C20 | C17 | O12 | 120.6° | 120.0° |
| C44 | C20 | C17 | H12 | 119.7° | 120.0° |
| C44 | C20 | O12 | H12 | 118.7° | 120.0° |
| C44 | C20 | C17 | O13 | 173.5° | 180.0° |
| C20 | C44 | O11 | H5 | 57.4° | 60.0° |
| C44 | C20 | O12 | H6 | 180.0° | 180.0° |
| C44 | C20 | C17 | H11 | 67.0° | 60.0° |
| C20 | C44 | C43 | H40 | 66.8° | 60.0° |
| O1 | C26 | C17 | H13 | 119.6° | 120.0° |
| O1 | C26 | C17 | C20 | 173.5° | 180.0° |
| O1 | C26 | C17 | O13 | 65.9° | 60.0° |
| O1 | C26 | C17 | H11 | 53.6° | 60.0° |
| O1 | C26 | C41 | H39 | 53.7° | 60.1° |
| C26 | C17 | C20 | O13 | 120.6° | 120.1° |
| C26 | C17 | C20 | H11 | 119.9° | 120.0° |
| C26 | C17 | C20 | O12 | 173.5° | 180.0° |
| C26 | C17 | O13 | H11 | 118.7° | 120.0° |
| C17 | C26 | O1 | H1 | 57.4° | 59.9° |
| C26 | C17 | O13 | H7 | 180.0° | 59.9° |
| C26 | C17 | C20 | H12 | 66.9° | 60.0° |
| C17 | C26 | C41 | H39 | 66.9° | 60.0° |
| C17 | C20 | O12 | H12 | 118.8° | 120.0° |
| C20 | C17 | O13 | H11 | 118.8° | 119.9° |
| C17 | C20 | O12 | H6 | 57.5° | 60.0° |
| C20 | C17 | O13 | H7 | 57.5° | 180.0° |
| C20 | C17 | C26 | H13 | 66.8° | 60.0° |
| C17 | C20 | C44 | H41 | 172.8° | 180.0° |
| O12 | C20 | C17 | O13 | 65.9° | 60.0° |
| O12 | C20 | C17 | H11 | 53.6° | 60.0° |
| O12 | C20 | C44 | H41 | 66.6° | 60.0° |
| O13 | C17 | C20 | H12 | 53.7° | 60.0° |
| O13 | C17 | C26 | H13 | 53.8° | 60.0° |
| H1 | O1 | C26 | H13 | 61.3° | 60.0° |
| H2 | O2 | C41 | H39 | 61.2° | 60.0° |
| H4 | O8 | C15 | H8 | 60.2° | 180.0° |
| H5 | O11 | C44 | H41 | 61.2° | 59.9° |
| H6 | O12 | C20 | H12 | 61.3° | 60.0° |
| H7 | O13 | C17 | H11 | 61.3° | 60.1° |
| H8 | C15 | C16 | H9 | 147.6° | 65.1° |
| H8 | C15 | C16 | H10 | 92.4° | 175.0° |
| H8 | C15 | C45 | H42 | 145.3° | 175.0° |
| H8 | C15 | C45 | H43 | 25.3° | 65.0° |
| H11 | C17 | C20 | H12 | 173.2° | 180.0° |
| H11 | C17 | C26 | H13 | 173.2° | 180.0° |
| H12 | C20 | C44 | H41 | 53.0° | 60.0° |
| H13 | C26 | C41 | H39 | 173.3° | 180.0° |
| H14 | C29 | H15 | H16 | 120.0° | 120.1° |
| H14 | C29 | C30 | H17 | 60.0° | 179.9° |
| H14 | C29 | C30 | H18 | 60.0° | 60.0° |
| H15 | C29 | C30 | H17 | 60.0° | 60.0° |
| H15 | C29 | C30 | H18 | 179.9° | 60.0° |
| H16 | C29 | C30 | H17 | 180.0° | 59.9° |
| H16 | C29 | C30 | H18 | 60.0° | 180.0° |
| H17 | C30 | C31 | H19 | 171.5° | 179.9° |
| H17 | C30 | C31 | H20 | 68.5° | 59.9° |
| H18 | C30 | C31 | H19 | 51.5° | 60.0° |
| H18 | C30 | C31 | H20 | 171.5° | 180.0° |
| H19 | C31 | C32 | H21 | 162.9° | NaN° |
| H19 | C31 | C32 | H22 | 42.9° | 60.0° |
| H20 | C31 | C32 | H21 | 77.1° | 60.0° |
| H20 | C31 | C32 | H22 | 162.9° | 179.9° |
| H21 | C32 | C33 | H23 | 130.7° | 180.0° |
| H21 | C32 | C33 | H24 | 10.7° | 60.1° |
| H22 | C32 | C33 | H23 | 109.3° | 60.1° |
| H22 | C32 | C33 | H24 | 130.7° | 180.0° |
| H23 | C33 | C34 | H25 | 148.8° | 180.0° |
| H23 | C33 | C34 | H26 | 91.2° | 60.0° |
| H24 | C33 | C34 | H25 | 28.8° | 60.0° |
| H24 | C33 | C34 | H26 | 148.7° | 180.0° |
| H25 | C34 | C35 | H27 | 157.2° | 180.0° |
| H25 | C34 | C35 | H28 | 82.8° | 60.1° |
| H26 | C34 | C35 | H27 | 37.2° | 60.1° |
| H26 | C34 | C35 | H28 | 157.2° | 180.0° |
| H27 | C35 | C36 | H29 | 173.4° | 180.0° |
| H27 | C35 | C36 | H30 | 66.6° | 60.0° |
| H28 | C35 | C36 | H29 | 53.4° | 60.0° |
| H28 | C35 | C36 | H30 | 173.5° | 180.0° |
| H29 | C36 | C37 | H31 | 163.2° | 180.0° |
| H29 | C36 | C37 | H32 | 76.7° | 60.1° |
| H30 | C36 | C37 | H31 | 43.3° | 60.1° |
| H30 | C36 | C37 | H32 | 163.3° | 180.0° |
| H31 | C37 | C38 | H33 | 172.6° | 180.0° |
| H31 | C37 | C38 | H34 | 67.5° | 60.0° |
| H32 | C37 | C38 | H33 | 52.5° | 60.1° |
| H32 | C37 | C38 | H34 | 172.5° | 180.0° |
| H33 | C38 | C39 | H35 | 154.6° | NaN° |
| H33 | C38 | C39 | H36 | 85.4° | 60.0° |
| H34 | C38 | C39 | H35 | 34.6° | 60.0° |
| H34 | C38 | C39 | H36 | 154.6° | 180.0° |
| H35 | C39 | C40 | H37 | 174.0° | 179.9° |
| H35 | C39 | C40 | H38 | 66.0° | 60.1° |
| H36 | C39 | C40 | H37 | 54.0° | 60.0° |
| H36 | C39 | C40 | H38 | 174.0° | 180.0° |
| H39 | C41 | C43 | H40 | 173.3° | 179.9° |
| H40 | C43 | C44 | H41 | 52.8° | 60.0° |
