A1EO4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | P11 | doub | 1.48Å | 1.50Å | |
| O42 | P11 | sing | 1.61Å | 1.49Å | |
| O14 | P13 | doub | 1.48Å | 1.49Å | |
| P11 | O12 | sing | 1.61Å | 1.67Å | |
| P11 | O10 | sing | 1.61Å | 1.78Å | |
| O41 | P13 | sing | 1.61Å | 1.50Å | |
| P13 | O12 | sing | 1.61Å | 1.63Å | |
| P13 | O15 | sing | 1.61Å | 1.83Å | |
| C09 | O10 | sing | 1.43Å | 1.36Å | |
| C09 | C08 | sing | 1.53Å | 1.60Å | |
| C08 | O07 | sing | 1.44Å | 1.45Å | |
| C08 | C44 | sing | 1.55Å | 1.53Å | |
| O07 | C06 | sing | 1.44Å | 1.41Å | |
| C48 | N49 | doub | 1.30Å | 1.36Å | Aromatic |
| C48 | N05 | sing | 1.36Å | 1.42Å | Aromatic |
| O45 | C44 | sing | 1.43Å | 1.40Å | |
| O15 | C16 | sing | 1.43Å | 1.35Å | |
| C44 | C46 | sing | 1.55Å | 1.56Å | |
| C06 | N05 | sing | 1.47Å | 1.56Å | |
| C06 | C46 | sing | 1.54Å | 1.59Å | |
| N49 | C03 | sing | 1.35Å | 1.41Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.43Å | Aromatic |
| C46 | O47 | sing | 1.43Å | 1.39Å | |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.60Å | |
| C21 | N20 | sing | 1.32Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C17 | O18 | sing | 1.44Å | 1.44Å | |
| C17 | C39 | sing | 1.54Å | 1.56Å | |
| O18 | C19 | sing | 1.44Å | 1.39Å | |
| C03 | C04 | doub | 1.41Å | 1.45Å | Aromatic |
| C03 | C02 | sing | 1.41Å | 1.45Å | Aromatic |
| C04 | C50 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | C25 | doub | 1.40Å | 1.44Å | Aromatic |
| N20 | C19 | sing | 1.46Å | 1.56Å | |
| N20 | C36 | doub | 1.32Å | 1.39Å | Aromatic |
| C19 | C37 | sing | 1.55Å | 1.55Å | |
| C02 | N01 | sing | 1.39Å | 1.40Å | |
| C02 | N52 | doub | 1.32Å | 1.40Å | Aromatic |
| C50 | N51 | doub | 1.32Å | 1.36Å | Aromatic |
| C25 | C36 | sing | 1.39Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.58Å | |
| C39 | O40 | sing | 1.43Å | 1.38Å | |
| C39 | C37 | sing | 1.55Å | 1.54Å | |
| C37 | O38 | sing | 1.43Å | 1.40Å | |
| N52 | N51 | sing | 1.28Å | 1.30Å | Aromatic |
| C26 | C35 | doub | 1.39Å | 1.44Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.42Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | O32 | sing | 1.36Å | 1.41Å | |
| C34 | C29 | doub | 1.40Å | 1.42Å | Aromatic |
| O32 | C31 | sing | 1.34Å | 1.40Å | |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | N30 | sing | 1.39Å | 1.44Å | |
| C31 | O33 | doub | 1.22Å | 1.22Å | |
| C31 | N30 | sing | 1.35Å | 1.41Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C35 | H16 | sing | 1.08Å | 1.08Å | |
| C36 | H17 | sing | 1.08Å | 1.08Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C44 | H20 | sing | 1.09Å | 1.10Å | |
| C46 | H21 | sing | 1.09Å | 1.10Å | |
| C48 | H22 | sing | 1.08Å | 1.08Å | |
| C50 | H23 | sing | 1.08Å | 1.08Å | |
| N01 | H24 | sing | 0.97Å | 1.00Å | |
| N01 | H25 | sing | 0.97Å | 1.00Å | |
| N30 | H26 | sing | 0.97Å | 1.00Å | |
| O38 | H27 | sing | 0.97Å | 0.95Å | |
| O40 | H28 | sing | 0.97Å | 0.95Å | |
| O41 | H29 | sing | 0.97Å | 0.95Å | |
| O42 | H30 | sing | 0.97Å | 0.95Å | |
| O45 | H31 | sing | 0.97Å | 0.95Å | |
| O47 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | P11 | O42 | 117.5° | 109.5° |
| O43 | P11 | O12 | 116.4° | 109.5° |
| O43 | P11 | O10 | 102.6° | 109.5° |
| O42 | P11 | O12 | 106.9° | 109.5° |
| O42 | P11 | O10 | 107.6° | 109.5° |
| P11 | O42 | H30 | 109.5° | 114.0° |
| O14 | P13 | O41 | 118.5° | 109.5° |
| O14 | P13 | O12 | 110.6° | 109.5° |
| O14 | P13 | O15 | 104.6° | 109.5° |
| O12 | P11 | O10 | 104.6° | 109.5° |
| P11 | O12 | P13 | 133.4° | 134.0° |
| P11 | O10 | C09 | 125.8° | 123.0° |
| O41 | P13 | O12 | 114.3° | 109.4° |
| O41 | P13 | O15 | 99.0° | 109.5° |
| P13 | O41 | H29 | 109.5° | 114.0° |
| O12 | P13 | O15 | 108.1° | 109.5° |
| P13 | O15 | C16 | 125.7° | 123.0° |
| O10 | C09 | C08 | 112.1° | 109.5° |
| O10 | C09 | H10 | 108.8° | 109.4° |
| O10 | C09 | H11 | 108.8° | 109.4° |
| C09 | C08 | O07 | 112.7° | 110.4° |
| C09 | C08 | C44 | 108.4° | 110.3° |
| C09 | C08 | H9 | 108.1° | 110.4° |
| C08 | C09 | H10 | 108.8° | 109.5° |
| C08 | C09 | H11 | 108.8° | 109.5° |
| O07 | C08 | C44 | 108.4° | 104.8° |
| C08 | O07 | C06 | 112.0° | 105.3° |
| O07 | C08 | H9 | 110.1° | 110.4° |
| C08 | C44 | O45 | 107.0° | 110.5° |
| C08 | C44 | C46 | 103.0° | 104.0° |
| C44 | C08 | H9 | 109.0° | 110.4° |
| C08 | C44 | H20 | 110.3° | 110.5° |
| O07 | C06 | N05 | 113.1° | 110.3° |
| O07 | C06 | C46 | 102.6° | 104.8° |
| O07 | C06 | H8 | 110.7° | 110.5° |
| N49 | C48 | N05 | 114.2° | 110.0° |
| C48 | N49 | C03 | 106.4° | 109.6° |
| N49 | C48 | H22 | 122.9° | 125.0° |
| C48 | N05 | C06 | 126.3° | 126.3° |
| C48 | N05 | C04 | 103.3° | 107.3° |
| N05 | C48 | H22 | 122.9° | 125.0° |
| O45 | C44 | C46 | 113.7° | 110.5° |
| O45 | C44 | H20 | 112.4° | 110.6° |
| C44 | O45 | H31 | 109.5° | 114.0° |
| O15 | C16 | C17 | 108.7° | 109.5° |
| O15 | C16 | H12 | 109.7° | 109.4° |
| O15 | C16 | H13 | 109.7° | 109.5° |
| C44 | C46 | C06 | 105.9° | 104.1° |
| C44 | C46 | O47 | 109.6° | 110.5° |
| C46 | C44 | H20 | 109.9° | 110.5° |
| C44 | C46 | H21 | 110.3° | 110.5° |
| N05 | C06 | C46 | 113.2° | 110.3° |
| C06 | N05 | C04 | 130.5° | 126.3° |
| N05 | C06 | H8 | 108.7° | 110.3° |
| C06 | C46 | O47 | 108.0° | 110.5° |
| C46 | C06 | H8 | 108.3° | 110.4° |
| C06 | C46 | H21 | 109.9° | 110.6° |
| N49 | C03 | C04 | 107.5° | 107.0° |
| N49 | C03 | C02 | 131.5° | 135.4° |
| N05 | C04 | C03 | 108.6° | 106.0° |
| N05 | C04 | C50 | 133.9° | 135.8° |
| O47 | C46 | H21 | 112.9° | 110.5° |
| C46 | O47 | H32 | 109.5° | 114.0° |
| C21 | C22 | C23 | 122.0° | 119.2° |
| C22 | C21 | N20 | 117.6° | 121.1° |
| C22 | C21 | H2 | 121.2° | 119.5° |
| C21 | C22 | H3 | 119.0° | 120.4° |
| C22 | C23 | C24 | 119.4° | 120.8° |
| C22 | C23 | C25 | 120.7° | 118.4° |
| C23 | C22 | H3 | 119.0° | 120.4° |
| C16 | C17 | O18 | 111.7° | 109.9° |
| C16 | C17 | C39 | 113.2° | 109.9° |
| C16 | C17 | H1 | 108.8° | 110.0° |
| C17 | C16 | H12 | 109.7° | 109.5° |
| C17 | C16 | H13 | 109.7° | 109.5° |
| C21 | N20 | C19 | 119.0° | 119.1° |
| C21 | N20 | C36 | 121.3° | 121.9° |
| N20 | C21 | H2 | 121.2° | 119.5° |
| C24 | C23 | C25 | 119.9° | 120.8° |
| C23 | C24 | H4 | 109.5° | 109.5° |
| C23 | C24 | H5 | 109.5° | 109.4° |
| C23 | C24 | H6 | 109.5° | 109.5° |
| O18 | C17 | C39 | 102.9° | 107.3° |
| C17 | O18 | C19 | 110.3° | 107.0° |
| O18 | C17 | H1 | 111.0° | 109.9° |
| C17 | C39 | O40 | 113.6° | 110.5° |
| C17 | C39 | C37 | 104.1° | 104.2° |
| C39 | C17 | H1 | 109.3° | 109.9° |
| C17 | C39 | H19 | 109.3° | 110.5° |
| O18 | C19 | N20 | 107.1° | 110.8° |
| O18 | C19 | C37 | 109.5° | 103.5° |
| O18 | C19 | H14 | 112.3° | 110.6° |
| C04 | C03 | C02 | 121.0° | 117.6° |
| C03 | C04 | C50 | 117.5° | 118.1° |
| C03 | C02 | N01 | 126.5° | 120.4° |
| C03 | C02 | N52 | 114.9° | 119.1° |
| C04 | C50 | N51 | 118.0° | 119.4° |
| C04 | C50 | H23 | 120.9° | 120.3° |
| C23 | C25 | C36 | 113.8° | 118.9° |
| C23 | C25 | C26 | 125.6° | 120.6° |
| C19 | N20 | C36 | 119.7° | 119.1° |
| N20 | C19 | C37 | 108.3° | 110.6° |
| N20 | C19 | H14 | 109.7° | 110.6° |
| N20 | C36 | C25 | 124.6° | 120.6° |
| N20 | C36 | H17 | 117.7° | 119.7° |
| C19 | C37 | C39 | 102.1° | 102.1° |
| C19 | C37 | O38 | 110.6° | 110.9° |
| C37 | C19 | H14 | 109.8° | 110.6° |
| C19 | C37 | H18 | 111.7° | 110.9° |
| N01 | C02 | N52 | 118.5° | 120.4° |
| C02 | N01 | H24 | 109.5° | 120.0° |
| C02 | N01 | H25 | 109.5° | 120.0° |
| C02 | N52 | N51 | 122.7° | 122.7° |
| C50 | N51 | N52 | 125.8° | 123.0° |
| N51 | C50 | H23 | 121.0° | 120.3° |
| C36 | C25 | C26 | 120.6° | 120.5° |
| C25 | C36 | H17 | 117.7° | 119.8° |
| C25 | C26 | C35 | 123.8° | 119.9° |
| C25 | C26 | C27 | 121.2° | 120.0° |
| O40 | C39 | C37 | 107.8° | 110.5° |
| O40 | C39 | H19 | 112.0° | 110.4° |
| C39 | O40 | H28 | 109.5° | 114.0° |
| C39 | C37 | O38 | 105.2° | 110.9° |
| C39 | C37 | H18 | 112.0° | 110.9° |
| C37 | C39 | H19 | 109.7° | 110.6° |
| O38 | C37 | H18 | 114.3° | 110.8° |
| C37 | O38 | H27 | 109.5° | 114.0° |
| C35 | C26 | C27 | 115.0° | 120.1° |
| C26 | C35 | C34 | 121.2° | 119.8° |
| C26 | C35 | H16 | 119.4° | 120.1° |
| C26 | C27 | C28 | 124.0° | 120.0° |
| C26 | C27 | H15 | 118.0° | 120.0° |
| C35 | C34 | O32 | 129.8° | 132.9° |
| C35 | C34 | C29 | 122.3° | 119.9° |
| C34 | C35 | H16 | 119.4° | 120.1° |
| C27 | C28 | C29 | 120.2° | 119.9° |
| C27 | C28 | H7 | 119.9° | 120.0° |
| C28 | C27 | H15 | 118.0° | 120.0° |
| O32 | C34 | C29 | 107.9° | 107.2° |
| C34 | O32 | C31 | 108.9° | 109.2° |
| C34 | C29 | C28 | 117.3° | 120.2° |
| C34 | C29 | N30 | 107.0° | 106.6° |
| O32 | C31 | O33 | 124.3° | 125.3° |
| O32 | C31 | N30 | 108.4° | 109.4° |
| C28 | C29 | N30 | 135.7° | 133.1° |
| C29 | C28 | H7 | 119.9° | 120.0° |
| C29 | N30 | C31 | 107.8° | 107.5° |
| C29 | N30 | H26 | 126.1° | 126.3° |
| O33 | C31 | N30 | 127.2° | 125.3° |
| C31 | N30 | H26 | 126.1° | 126.2° |
| H4 | C24 | H5 | 109.4° | 109.5° |
| H4 | C24 | H6 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.4° | 109.5° |
| H12 | C16 | H13 | 109.4° | 109.5° |
| H24 | N01 | H25 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | P11 | O42 | O12 | 133.1° | 120.0° |
| O43 | P11 | O42 | O10 | 115.1° | 120.0° |
| O43 | P11 | O12 | O10 | 112.4° | 120.0° |
| O43 | P11 | O12 | P13 | 50.9° | 45.0° |
| O43 | P11 | O10 | C09 | 14.0° | 55.0° |
| O43 | P11 | O42 | H30 | 0.0° | 180.0° |
| O42 | P11 | O12 | O10 | 114.0° | 120.0° |
| O42 | P11 | O12 | P13 | 82.7° | 75.0° |
| O42 | P11 | O10 | C09 | 110.6° | 65.0° |
| O14 | P13 | O12 | P11 | 42.9° | 40.0° |
| O14 | P13 | O41 | O12 | 133.2° | 120.0° |
| O14 | P13 | O41 | O15 | 112.2° | 120.0° |
| O14 | P13 | O12 | O15 | 114.0° | 120.0° |
| O14 | P13 | O15 | C16 | 146.6° | 55.0° |
| O14 | P13 | O41 | H29 | 0.0° | 180.0° |
| P11 | O12 | P13 | O41 | 94.0° | 80.0° |
| P11 | O12 | P13 | O15 | 156.9° | 160.0° |
| O12 | P11 | O10 | C09 | 136.0° | 175.0° |
| O12 | P11 | O42 | H30 | 133.1° | 60.0° |
| O10 | P11 | O12 | P13 | 163.4° | 165.0° |
| P11 | O10 | C09 | C08 | 82.3° | 180.0° |
| P11 | O10 | C09 | H10 | 157.3° | 60.0° |
| P11 | O10 | C09 | H11 | 38.1° | 60.0° |
| O10 | P11 | O42 | H30 | 115.1° | 60.0° |
| O41 | P13 | O12 | O15 | 109.1° | 120.0° |
| O41 | P13 | O15 | C16 | 90.7° | 65.0° |
| O12 | P13 | O15 | C16 | 28.6° | 175.0° |
| O12 | P13 | O41 | H29 | 133.2° | 60.0° |
| P13 | O15 | C16 | C17 | 102.9° | 180.0° |
| P13 | O15 | C16 | H12 | 17.0° | 60.0° |
| P13 | O15 | C16 | H13 | 137.2° | 60.0° |
| O15 | P13 | O41 | H29 | 112.2° | 60.0° |
| O10 | C09 | C08 | H10 | 120.4° | 120.0° |
| O10 | C09 | C08 | H11 | 120.4° | 120.0° |
| O10 | C09 | C08 | O07 | 164.2° | 66.5° |
| O10 | C09 | C08 | C44 | 44.2° | 178.2° |
| O10 | C09 | C08 | H9 | 73.8° | 55.9° |
| O10 | C09 | H10 | H11 | 118.8° | 119.9° |
| C09 | C08 | O07 | C44 | 120.0° | 118.8° |
| C09 | C08 | O07 | H9 | 120.8° | 122.4° |
| C09 | C08 | C44 | H9 | 117.5° | 122.3° |
| C09 | C08 | O07 | C06 | 100.0° | 159.3° |
| C09 | C08 | C44 | O45 | 118.6° | 98.6° |
| C09 | C08 | C44 | C46 | 121.3° | 142.8° |
| C08 | C09 | H10 | H11 | 118.8° | 120.1° |
| C09 | C08 | C44 | H20 | 3.9° | 24.2° |
| O07 | C08 | C44 | H9 | 119.9° | 118.8° |
| O07 | C08 | C44 | O45 | 118.8° | 142.6° |
| O07 | C08 | C44 | C46 | 1.4° | 24.0° |
| C08 | O07 | C06 | N05 | 93.8° | 159.3° |
| C08 | O07 | C06 | C46 | 28.5° | 40.5° |
| C08 | O07 | C06 | H8 | 143.9° | 78.4° |
| O07 | C08 | C09 | H10 | 43.8° | 53.5° |
| O07 | C08 | C09 | H11 | 75.3° | 173.6° |
| O07 | C08 | C44 | H20 | 118.7° | 94.7° |
| C44 | C08 | O07 | C06 | 20.0° | 40.5° |
| C08 | C44 | O45 | C46 | 113.0° | 114.6° |
| C08 | C44 | O45 | H20 | 121.2° | 122.7° |
| C08 | C44 | C46 | H20 | 117.6° | 118.7° |
| C08 | C44 | C46 | C06 | 14.9° | 0.0° |
| C08 | C44 | C46 | O47 | 101.3° | 118.7° |
| C44 | C08 | C09 | H10 | 76.2° | 61.9° |
| C44 | C08 | C09 | H11 | 164.6° | 58.2° |
| C08 | C44 | C46 | H21 | 133.8° | 118.7° |
| C08 | C44 | O45 | H31 | 180.0° | 180.0° |
| O07 | C06 | N05 | C48 | 9.0° | 20.3° |
| O07 | C06 | C46 | C44 | 26.3° | 24.0° |
| O07 | C06 | N05 | C46 | 116.2° | 115.4° |
| O07 | C06 | N05 | H8 | 123.4° | 122.4° |
| O07 | C06 | C46 | H8 | 117.1° | 119.0° |
| O07 | C06 | N05 | C04 | 171.3° | 159.6° |
| O07 | C06 | C46 | O47 | 91.0° | 142.7° |
| C06 | O07 | C08 | H9 | 139.2° | 78.3° |
| O07 | C06 | C46 | H21 | 145.4° | 94.6° |
| N49 | C48 | N05 | H22 | 180.0° | 180.0° |
| N49 | C48 | N05 | C06 | 179.9° | 179.9° |
| N49 | C48 | N05 | C04 | 0.1° | 0.0° |
| C48 | N49 | C03 | C04 | 0.0° | 0.0° |
| C48 | N49 | C03 | C02 | 180.0° | 180.0° |
| C48 | N05 | C06 | C04 | 179.7° | 180.0° |
| C48 | N05 | C06 | C46 | 125.1° | 95.0° |
| N05 | C48 | N49 | C03 | 0.1° | 0.0° |
| C48 | N05 | C04 | C03 | 0.1° | 0.0° |
| C48 | N05 | C04 | C50 | 180.0° | 179.9° |
| C48 | N05 | C06 | H8 | 114.4° | 142.7° |
| O45 | C44 | C46 | H20 | 127.0° | 122.7° |
| O45 | C44 | C46 | C06 | 130.3° | 118.6° |
| O45 | C44 | C46 | O47 | 14.0° | 0.1° |
| O45 | C44 | C08 | H9 | 1.1° | 23.8° |
| O45 | C44 | C46 | H21 | 110.8° | 122.7° |
| O15 | C16 | C17 | H12 | 119.9° | 119.9° |
| O15 | C16 | C17 | H13 | 119.9° | 120.0° |
| O15 | C16 | C17 | O18 | 102.0° | 66.5° |
| O15 | C16 | C17 | C39 | 142.5° | 175.7° |
| O15 | C16 | C17 | H1 | 20.8° | 54.6° |
| O15 | C16 | H12 | H13 | 120.3° | 120.0° |
| C44 | C46 | C06 | N05 | 96.0° | 142.8° |
| C44 | C46 | C06 | O47 | 117.3° | 118.7° |
| C44 | C46 | C06 | H21 | 119.1° | 118.6° |
| C44 | C46 | O47 | H21 | 123.3° | 122.6° |
| C44 | C46 | C06 | H8 | 143.4° | 95.0° |
| C46 | C44 | C08 | H9 | 121.3° | 94.8° |
| C46 | C44 | O45 | H31 | 66.9° | 65.4° |
| C44 | C46 | O47 | H32 | 180.0° | 65.3° |
| N05 | C06 | C46 | H8 | 120.6° | 122.2° |
| N05 | C06 | C46 | O47 | 146.7° | 98.6° |
| C06 | N05 | C04 | C03 | 179.9° | 179.9° |
| C06 | N05 | C04 | C50 | 0.2° | 0.1° |
| N05 | C06 | C46 | H21 | 23.2° | 24.1° |
| C06 | N05 | C48 | H22 | 0.0° | 0.1° |
| C46 | C06 | N05 | C04 | 55.1° | 85.0° |
| C06 | C46 | O47 | H21 | 121.7° | 122.7° |
| C06 | C46 | C44 | H20 | 102.7° | 118.7° |
| C06 | C46 | O47 | H32 | 65.1° | 180.0° |
| N49 | C03 | C04 | N05 | 0.1° | 0.0° |
| N49 | C03 | C04 | C02 | 180.0° | 180.0° |
| N49 | C03 | C04 | C50 | 180.0° | 179.9° |
| N49 | C03 | C02 | N01 | 0.0° | 0.0° |
| N49 | C03 | C02 | N52 | 180.0° | 179.7° |
| C03 | N49 | C48 | H22 | 179.9° | 180.0° |
| N05 | C04 | C03 | C50 | 179.9° | 179.9° |
| N05 | C04 | C03 | C02 | 179.9° | 180.0° |
| N05 | C04 | C50 | N51 | 179.9° | 180.0° |
| C04 | N05 | C06 | H8 | 65.3° | 37.2° |
| C04 | N05 | C48 | H22 | 179.8° | 180.0° |
| N05 | C04 | C50 | H23 | 0.1° | 0.1° |
| O47 | C46 | C06 | H8 | 26.1° | 23.6° |
| O47 | C46 | C44 | H20 | 141.0° | 122.7° |
| C21 | C22 | C23 | H3 | 180.0° | 180.0° |
| C22 | C21 | N20 | H2 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C21 | C22 | C23 | C25 | 0.0° | 0.0° |
| C22 | C21 | N20 | C19 | 180.0° | 179.7° |
| C22 | C21 | N20 | C36 | 0.1° | 0.0° |
| C23 | C22 | C21 | N20 | 0.1° | 0.0° |
| C22 | C23 | C24 | C25 | 180.0° | 180.0° |
| C22 | C23 | C25 | C36 | 0.0° | 0.0° |
| C22 | C23 | C25 | C26 | 179.9° | 180.0° |
| C23 | C22 | C21 | H2 | 179.9° | 179.7° |
| C22 | C23 | C24 | H4 | 90.0° | 95.3° |
| C22 | C23 | C24 | H5 | 150.0° | 144.7° |
| C22 | C23 | C24 | H6 | 30.0° | 24.7° |
| C16 | C17 | O18 | C39 | 121.6° | 119.4° |
| C16 | C17 | O18 | H1 | 121.6° | 121.2° |
| C16 | C17 | C39 | H1 | 121.4° | 121.2° |
| C16 | C17 | O18 | C19 | 90.1° | 145.9° |
| C16 | C17 | C39 | O40 | 155.0° | 119.9° |
| C16 | C17 | C39 | C37 | 88.0° | 121.4° |
| C17 | C16 | H12 | H13 | 120.4° | 120.1° |
| C16 | C17 | C39 | H19 | 29.1° | 2.6° |
| C21 | N20 | C19 | O18 | 33.9° | 34.1° |
| C21 | N20 | C19 | C36 | 179.9° | 179.8° |
| C21 | N20 | C19 | C37 | 152.0° | 80.0° |
| C21 | N20 | C36 | C25 | 0.1° | 0.0° |
| N20 | C21 | C22 | H3 | 179.9° | 180.0° |
| C21 | N20 | C19 | H14 | 88.2° | 157.1° |
| C21 | N20 | C36 | H17 | 179.9° | 180.0° |
| C24 | C23 | C25 | C36 | 180.0° | 180.0° |
| C24 | C23 | C25 | C26 | 0.1° | 0.1° |
| C24 | C23 | C22 | H3 | 0.1° | 0.0° |
| C23 | C24 | H4 | H5 | 120.0° | 120.0° |
| C23 | C24 | H4 | H6 | 120.0° | 120.0° |
| C23 | C24 | H5 | H6 | 120.0° | 120.0° |
| O18 | C17 | C39 | H1 | 118.0° | 119.4° |
| C17 | O18 | C19 | N20 | 99.4° | 158.6° |
| C17 | O18 | C19 | C37 | 17.8° | 40.0° |
| O18 | C17 | C39 | O40 | 84.4° | 120.7° |
| O18 | C17 | C39 | C37 | 32.6° | 2.1° |
| O18 | C17 | C16 | H12 | 17.9° | 173.6° |
| O18 | C17 | C16 | H13 | 138.1° | 53.5° |
| C17 | O18 | C19 | H14 | 140.1° | 78.4° |
| O18 | C17 | C39 | H19 | 149.8° | 116.8° |
| C39 | C17 | O18 | C19 | 31.5° | 26.5° |
| C17 | C39 | C37 | C19 | 22.1° | 20.8° |
| C17 | C39 | O40 | C37 | 114.8° | 114.8° |
| C17 | C39 | O40 | H19 | 124.4° | 122.6° |
| C17 | C39 | C37 | H19 | 116.9° | 118.8° |
| C17 | C39 | C37 | O38 | 137.7° | 139.1° |
| C39 | C17 | C16 | H12 | 97.6° | 55.8° |
| C39 | C17 | C16 | H13 | 22.6° | 64.3° |
| C17 | C39 | C37 | H18 | 97.6° | 97.3° |
| C17 | C39 | O40 | H28 | 180.0° | 180.0° |
| O18 | C19 | N20 | C37 | 118.0° | 114.2° |
| O18 | C19 | N20 | H14 | 122.1° | 123.0° |
| O18 | C19 | N20 | C36 | 145.9° | 146.1° |
| O18 | C19 | C37 | H14 | 123.7° | 118.5° |
| O18 | C19 | C37 | C39 | 4.1° | 36.9° |
| O18 | C19 | C37 | O38 | 115.6° | 155.2° |
| C19 | O18 | C17 | H1 | 148.3° | 92.9° |
| O18 | C19 | C37 | H18 | 115.8° | 81.3° |
| C04 | C03 | C02 | N01 | 180.0° | 180.0° |
| C04 | C03 | C02 | N52 | 0.0° | 0.3° |
| C03 | C04 | C50 | N51 | 0.0° | 0.1° |
| C03 | C04 | C50 | H23 | 180.0° | 180.0° |
| C02 | C03 | C04 | C50 | 0.0° | 0.1° |
| C03 | C02 | N01 | N52 | 179.9° | 179.7° |
| C03 | C02 | N52 | N51 | 0.0° | 0.6° |
| C03 | C02 | N01 | H24 | 179.9° | 179.8° |
| C03 | C02 | N01 | H25 | 60.1° | 0.4° |
| C04 | C50 | N51 | H23 | 180.0° | 180.0° |
| C04 | C50 | N51 | N52 | 0.0° | 0.3° |
| C23 | C25 | C36 | N20 | 0.0° | 0.0° |
| C23 | C25 | C36 | C26 | 179.9° | 179.9° |
| C23 | C25 | C26 | C35 | 82.8° | 56.0° |
| C23 | C25 | C26 | C27 | 97.6° | 123.7° |
| C25 | C23 | C22 | H3 | 180.0° | 180.0° |
| C25 | C23 | C24 | H4 | 90.0° | 84.6° |
| C25 | C23 | C24 | H5 | 30.0° | 35.4° |
| C25 | C23 | C24 | H6 | 150.0° | 155.3° |
| C23 | C25 | C36 | H17 | 180.0° | 180.0° |
| N20 | C19 | C37 | H14 | 119.8° | 122.8° |
| C19 | N20 | C36 | C25 | 179.9° | 179.7° |
| N20 | C19 | C37 | C39 | 120.5° | 155.7° |
| N20 | C19 | C37 | O38 | 127.9° | 86.1° |
| C19 | N20 | C21 | H2 | 0.0° | 0.0° |
| C19 | N20 | C36 | H17 | 0.0° | 0.3° |
| N20 | C19 | C37 | H18 | 0.7° | 37.5° |
| C36 | N20 | C19 | C37 | 27.9° | 99.7° |
| N20 | C36 | C25 | H17 | 180.0° | 180.0° |
| N20 | C36 | C25 | C26 | 179.9° | 180.0° |
| C36 | N20 | C21 | H2 | 179.9° | 179.7° |
| C36 | N20 | C19 | H14 | 92.0° | 23.1° |
| C19 | C37 | C39 | O40 | 98.9° | 97.9° |
| C19 | C37 | C39 | O38 | 115.6° | 118.2° |
| C19 | C37 | C39 | H18 | 119.7° | 118.1° |
| C19 | C37 | O38 | H18 | 127.2° | 123.6° |
| C19 | C37 | C39 | H19 | 139.0° | 139.6° |
| C19 | C37 | O38 | H27 | 180.0° | 180.0° |
| N01 | C02 | N52 | N51 | 180.0° | 179.8° |
| C02 | N01 | H24 | H25 | 120.0° | 179.9° |
| C02 | N52 | N51 | C50 | 0.0° | 0.6° |
| N52 | C02 | N01 | H24 | 0.0° | 0.1° |
| N52 | C02 | N01 | H25 | 120.0° | 179.9° |
| C36 | C25 | C26 | C35 | 97.3° | 124.1° |
| C36 | C25 | C26 | C27 | 82.3° | 56.2° |
| C25 | C26 | C35 | C27 | 179.6° | 179.7° |
| C25 | C26 | C35 | C34 | 179.8° | 179.7° |
| C25 | C26 | C27 | C28 | 179.8° | 179.7° |
| C25 | C26 | C27 | H15 | 0.2° | 0.3° |
| C25 | C26 | C35 | H16 | 0.2° | 0.2° |
| C26 | C25 | C36 | H17 | 0.1° | 0.0° |
| O40 | C39 | C37 | H19 | 122.2° | 122.5° |
| O40 | C39 | C37 | O38 | 16.7° | 20.4° |
| O40 | C39 | C17 | H1 | 33.6° | 1.3° |
| O40 | C39 | C37 | H18 | 141.4° | 144.0° |
| C39 | C37 | O38 | H18 | 123.2° | 123.7° |
| C37 | C39 | C17 | H1 | 150.6° | 117.4° |
| C39 | C37 | C19 | H14 | 119.7° | 81.5° |
| C39 | C37 | O38 | H27 | 70.4° | 67.3° |
| C37 | C39 | O40 | H28 | 65.1° | 65.2° |
| O38 | C37 | C19 | H14 | 8.1° | 36.7° |
| O38 | C37 | C39 | H19 | 105.4° | 102.1° |
| N52 | N51 | C50 | H23 | 180.0° | 179.7° |
| C26 | C35 | C34 | H16 | 180.0° | 180.0° |
| C35 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C35 | C34 | O32 | 179.9° | 180.0° |
| C26 | C35 | C34 | C29 | 0.1° | 0.0° |
| C35 | C26 | C27 | H15 | 179.8° | 180.0° |
| C27 | C26 | C35 | C34 | 0.1° | 0.0° |
| C26 | C27 | C28 | H15 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H7 | 179.9° | 180.0° |
| C27 | C26 | C35 | H16 | 179.8° | 180.0° |
| C35 | C34 | O32 | C29 | 179.9° | 179.9° |
| C35 | C34 | O32 | C31 | 180.0° | 179.9° |
| C35 | C34 | C29 | C28 | 0.0° | 0.0° |
| C35 | C34 | C29 | N30 | 179.9° | 179.9° |
| C27 | C28 | C29 | C34 | 0.0° | 0.0° |
| C27 | C28 | C29 | H7 | 180.0° | 179.9° |
| C27 | C28 | C29 | N30 | 179.9° | 180.0° |
| O32 | C34 | C29 | C28 | 179.9° | 180.0° |
| O32 | C34 | C29 | N30 | 0.0° | 0.0° |
| C34 | O32 | C31 | O33 | 180.0° | 180.0° |
| C34 | O32 | C31 | N30 | 0.1° | 0.0° |
| O32 | C34 | C35 | H16 | 0.2° | 0.0° |
| C29 | C34 | O32 | C31 | 0.0° | 0.0° |
| C34 | C29 | C28 | N30 | 179.9° | 179.9° |
| C34 | C29 | N30 | C31 | 0.1° | 0.0° |
| C34 | C29 | C28 | H7 | 180.0° | 180.0° |
| C29 | C34 | C35 | H16 | 179.9° | 180.0° |
| C34 | C29 | N30 | H26 | 180.0° | 180.0° |
| O32 | C31 | N30 | C29 | 0.1° | 0.0° |
| O32 | C31 | O33 | N30 | 179.9° | 180.0° |
| O32 | C31 | N30 | H26 | 179.9° | 180.0° |
| C28 | C29 | N30 | C31 | 179.9° | 180.0° |
| C29 | C28 | C27 | H15 | 179.9° | 180.0° |
| C28 | C29 | N30 | H26 | 0.1° | 0.0° |
| C29 | N30 | C31 | O33 | 180.0° | 180.0° |
| C29 | N30 | C31 | H26 | 180.0° | 180.0° |
| N30 | C29 | C28 | H7 | 0.1° | 0.1° |
| O33 | C31 | N30 | H26 | 0.0° | 0.0° |
| H1 | C17 | C16 | H12 | 140.7° | 65.4° |
| H1 | C17 | C16 | H13 | 99.1° | 174.6° |
| H1 | C17 | C39 | H19 | 92.3° | 123.8° |
| H2 | C21 | C22 | H3 | 0.1° | 0.3° |
| H4 | C24 | H5 | H6 | 120.0° | 120.0° |
| H7 | C28 | C27 | H15 | 0.1° | 0.0° |
| H8 | C06 | C46 | H21 | 97.5° | 146.4° |
| H9 | C08 | C09 | H10 | 165.8° | 175.8° |
| H9 | C08 | C09 | H11 | 46.6° | 64.1° |
| H9 | C08 | C44 | H20 | 121.4° | 146.5° |
| H14 | C19 | C37 | H18 | 120.5° | 160.3° |
| H18 | C37 | C39 | H19 | 19.3° | 21.5° |
| H18 | C37 | O38 | H27 | 52.8° | 56.4° |
| H19 | C39 | O40 | H28 | 55.6° | 57.5° |
| H20 | C44 | C46 | H21 | 16.2° | 0.0° |
| H20 | C44 | O45 | H31 | 58.8° | 57.3° |
| H21 | C46 | O47 | H32 | 56.7° | 57.3° |
