1T1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | P11 | doub | 1.48Å | 1.50Å | |
| O33 | P11 | sing | 1.61Å | 1.50Å | |
| P11 | O10 | sing | 1.61Å | 1.63Å | |
| P11 | O13 | sing | 1.61Å | 1.65Å | |
| O10 | C09 | sing | 1.43Å | 1.38Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| O13 | C14 | sing | 1.34Å | 1.41Å | |
| C08 | O07 | sing | 1.44Å | 1.56Å | |
| C08 | C34 | sing | 1.55Å | 1.30Å | |
| O35 | C34 | sing | 1.43Å | 1.42Å | |
| O07 | C06 | sing | 1.44Å | 1.58Å | |
| C14 | O32 | doub | 1.21Å | 1.18Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C34 | C36 | sing | 1.55Å | 1.66Å | |
| O37 | C36 | sing | 1.43Å | 1.43Å | |
| C36 | C06 | sing | 1.55Å | 1.31Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C06 | N05 | sing | 1.46Å | 1.44Å | |
| N05 | C38 | sing | 1.36Å | 1.32Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.32Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C38 | N39 | doub | 1.30Å | 1.31Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C04 | N40 | doub | 1.33Å | 1.33Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.37Å | Aromatic |
| N40 | C41 | sing | 1.32Å | 1.31Å | Aromatic |
| N39 | C03 | sing | 1.35Å | 1.33Å | Aromatic |
| C03 | C02 | doub | 1.41Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C41 | N42 | doub | 1.32Å | 1.31Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C02 | N42 | sing | 1.33Å | 1.31Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C38 | H42 | sing | 1.08Å | 1.08Å | |
| C41 | H43 | sing | 1.08Å | 1.08Å | |
| N01 | H44 | sing | 0.97Å | 1.00Å | |
| N01 | H45 | sing | 0.97Å | 1.00Å | |
| O33 | H46 | sing | 0.97Å | 0.95Å | |
| O35 | H47 | sing | 0.97Å | 0.95Å | |
| O37 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | P11 | O33 | 108.3° | 109.5° |
| O12 | P11 | O10 | 109.5° | 109.5° |
| O12 | P11 | O13 | 110.0° | 109.5° |
| O33 | P11 | O10 | 108.4° | 109.4° |
| O33 | P11 | O13 | 109.2° | 109.5° |
| P11 | O33 | H46 | 109.5° | 114.0° |
| O10 | P11 | O13 | 111.4° | 109.5° |
| P11 | O10 | C09 | 114.8° | 123.0° |
| P11 | O13 | C14 | 124.2° | 117.0° |
| O10 | C09 | C08 | 108.8° | 109.5° |
| O10 | C09 | H19 | 109.6° | 109.5° |
| O10 | C09 | H20 | 109.7° | 109.5° |
| C09 | C08 | O07 | 112.2° | 109.9° |
| C09 | C08 | C34 | 107.0° | 109.9° |
| C09 | C08 | H18 | 110.7° | 110.0° |
| C08 | C09 | H19 | 109.7° | 109.5° |
| C08 | C09 | H20 | 109.6° | 109.5° |
| O13 | C14 | O32 | 123.5° | 120.0° |
| O13 | C14 | C15 | 119.9° | 120.0° |
| O07 | C08 | C34 | 102.3° | 107.3° |
| C08 | O07 | C06 | 103.4° | 107.0° |
| O07 | C08 | H18 | 110.0° | 109.9° |
| C08 | C34 | O35 | 108.8° | 110.5° |
| C08 | C34 | C36 | 102.4° | 104.2° |
| C34 | C08 | H18 | 114.3° | 109.8° |
| C08 | C34 | H40 | 113.2° | 110.5° |
| O35 | C34 | C36 | 113.3° | 110.5° |
| O35 | C34 | H40 | 111.1° | 110.6° |
| C34 | O35 | H47 | 109.5° | 114.0° |
| O07 | C06 | C36 | 106.0° | 103.6° |
| O07 | C06 | N05 | 110.7° | 110.6° |
| O07 | C06 | H17 | 108.9° | 110.6° |
| O32 | C14 | C15 | 116.6° | 120.0° |
| C14 | C15 | C16 | 111.7° | 109.4° |
| C14 | C15 | H1 | 108.9° | 109.4° |
| C14 | C15 | H2 | 108.9° | 109.5° |
| C34 | C36 | O37 | 110.2° | 110.9° |
| C34 | C36 | C06 | 104.7° | 102.1° |
| C36 | C34 | H40 | 108.0° | 110.5° |
| C34 | C36 | H41 | 107.6° | 110.9° |
| O37 | C36 | C06 | 110.9° | 110.9° |
| O37 | C36 | H41 | 110.7° | 110.9° |
| C36 | O37 | H48 | 109.5° | 113.9° |
| C36 | C06 | N05 | 107.7° | 110.6° |
| C36 | C06 | H17 | 112.8° | 110.6° |
| C06 | C36 | H41 | 112.6° | 110.8° |
| C15 | C16 | C17 | 110.0° | 109.5° |
| C16 | C15 | H1 | 108.9° | 109.5° |
| C16 | C15 | H2 | 108.9° | 109.5° |
| C15 | C16 | H21 | 109.3° | 109.5° |
| C15 | C16 | H22 | 109.3° | 109.4° |
| C06 | N05 | C38 | 127.4° | 126.3° |
| C06 | N05 | C04 | 123.7° | 126.3° |
| N05 | C06 | H17 | 110.7° | 110.6° |
| C38 | N05 | C04 | 108.9° | 107.5° |
| N05 | C38 | N39 | 109.4° | 110.0° |
| N05 | C38 | H42 | 125.3° | 125.0° |
| N05 | C04 | N40 | 134.1° | 135.0° |
| N05 | C04 | C03 | 106.4° | 106.0° |
| C16 | C17 | C18 | 113.4° | 109.5° |
| C16 | C17 | H3 | 108.5° | 109.4° |
| C16 | C17 | H4 | 108.5° | 109.5° |
| C17 | C16 | H21 | 109.3° | 109.5° |
| C17 | C16 | H22 | 109.3° | 109.5° |
| C38 | N39 | C03 | 107.7° | 109.4° |
| N39 | C38 | H42 | 125.3° | 125.0° |
| C17 | C18 | C19 | 109.9° | 109.5° |
| C18 | C17 | H3 | 108.5° | 109.5° |
| C18 | C17 | H4 | 108.5° | 109.5° |
| C17 | C18 | H23 | 109.3° | 109.5° |
| C17 | C18 | H24 | 109.4° | 109.5° |
| N40 | C04 | C03 | 119.5° | 119.1° |
| C04 | N40 | C41 | 121.0° | 120.7° |
| C04 | C03 | N39 | 107.6° | 107.1° |
| C04 | C03 | C02 | 117.9° | 118.2° |
| N40 | C41 | N42 | 121.2° | 122.5° |
| N40 | C41 | H43 | 119.4° | 118.8° |
| N39 | C03 | C02 | 134.5° | 134.7° |
| C03 | C02 | N42 | 118.8° | 118.4° |
| C03 | C02 | N01 | 121.7° | 120.8° |
| C18 | C19 | C20 | 110.9° | 109.5° |
| C19 | C18 | H23 | 109.4° | 109.4° |
| C19 | C18 | H24 | 109.4° | 109.5° |
| C18 | C19 | H25 | 109.1° | 109.5° |
| C18 | C19 | H26 | 109.1° | 109.5° |
| C41 | N42 | C02 | 121.6° | 121.2° |
| N42 | C41 | H43 | 119.4° | 118.7° |
| C19 | C20 | C21 | 112.7° | 109.5° |
| C19 | C20 | H5 | 108.6° | 109.5° |
| C19 | C20 | H6 | 108.7° | 109.4° |
| C20 | C19 | H25 | 109.1° | 109.5° |
| C20 | C19 | H26 | 109.1° | 109.4° |
| C20 | C21 | C22 | 111.2° | 109.5° |
| C21 | C20 | H5 | 108.7° | 109.5° |
| C21 | C20 | H6 | 108.7° | 109.5° |
| C20 | C21 | H7 | 109.0° | 109.4° |
| C20 | C21 | H8 | 109.1° | 109.5° |
| C22 | C23 | C24 | 113.1° | 109.5° |
| C23 | C22 | C21 | 112.1° | 109.5° |
| C23 | C22 | H9 | 108.8° | 109.4° |
| C23 | C22 | H10 | 108.8° | 109.5° |
| C22 | C23 | H27 | 108.5° | 109.5° |
| C22 | C23 | H28 | 108.6° | 109.5° |
| C23 | C24 | C25 | 113.1° | 109.5° |
| C23 | C24 | H11 | 108.6° | 109.5° |
| C23 | C24 | H12 | 108.6° | 109.4° |
| C24 | C23 | H27 | 108.6° | 109.5° |
| C24 | C23 | H28 | 108.6° | 109.4° |
| N42 | C02 | N01 | 119.5° | 120.8° |
| C02 | N01 | H44 | 109.5° | 120.0° |
| C02 | N01 | H45 | 109.4° | 120.1° |
| C22 | C21 | H7 | 109.1° | 109.5° |
| C22 | C21 | H8 | 109.0° | 109.5° |
| C21 | C22 | H9 | 108.8° | 109.5° |
| C21 | C22 | H10 | 108.8° | 109.5° |
| C24 | C25 | C26 | 111.3° | 109.5° |
| C25 | C24 | H11 | 108.6° | 109.5° |
| C25 | C24 | H12 | 108.6° | 109.4° |
| C24 | C25 | H29 | 109.0° | 109.5° |
| C24 | C25 | H30 | 109.0° | 109.4° |
| C25 | C26 | C27 | 115.0° | 109.5° |
| C25 | C26 | H13 | 108.1° | 109.5° |
| C25 | C26 | H14 | 108.1° | 109.4° |
| C26 | C25 | H29 | 109.0° | 109.5° |
| C26 | C25 | H30 | 109.0° | 109.4° |
| C26 | C27 | C28 | 109.9° | 109.5° |
| C27 | C26 | H13 | 108.1° | 109.5° |
| C27 | C26 | H14 | 108.1° | 109.5° |
| C26 | C27 | H31 | 109.4° | 109.4° |
| C26 | C27 | H32 | 109.4° | 109.5° |
| C27 | C28 | C29 | 114.1° | 109.5° |
| C27 | C28 | H15 | 108.3° | 109.5° |
| C27 | C28 | H16 | 108.3° | 109.5° |
| C28 | C27 | H31 | 109.4° | 109.5° |
| C28 | C27 | H32 | 109.4° | 109.5° |
| C28 | C29 | C30 | 111.8° | 109.5° |
| C29 | C28 | H15 | 108.3° | 109.4° |
| C29 | C28 | H16 | 108.3° | 109.5° |
| C28 | C29 | H33 | 108.9° | 109.5° |
| C28 | C29 | H34 | 108.9° | 109.5° |
| C29 | C30 | C31 | 112.2° | 109.5° |
| C30 | C29 | H33 | 108.9° | 109.4° |
| C30 | C29 | H34 | 108.9° | 109.5° |
| C29 | C30 | H35 | 108.8° | 109.4° |
| C29 | C30 | H36 | 108.8° | 109.5° |
| C31 | C30 | H35 | 108.8° | 109.5° |
| C31 | C30 | H36 | 108.8° | 109.5° |
| C30 | C31 | H37 | 109.5° | 109.5° |
| C30 | C31 | H38 | 109.4° | 109.5° |
| C30 | C31 | H39 | 109.4° | 109.4° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.5° |
| H11 | C24 | H12 | 109.4° | 109.5° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H19 | C09 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.4° |
| H29 | C25 | H30 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.4° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.5° |
| H37 | C31 | H38 | 109.5° | 109.5° |
| H37 | C31 | H39 | 109.5° | 109.5° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H44 | N01 | H45 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | P11 | O33 | O10 | 118.7° | 120.0° |
| O12 | P11 | O33 | O13 | 119.8° | 120.0° |
| O12 | P11 | O10 | O13 | 121.9° | 120.0° |
| O12 | P11 | O10 | C09 | 162.0° | 55.0° |
| O12 | P11 | O13 | C14 | 97.3° | 55.0° |
| O12 | P11 | O33 | H46 | 0.0° | 180.0° |
| O33 | P11 | O10 | O13 | 120.1° | 120.0° |
| O33 | P11 | O10 | C09 | 44.0° | 65.0° |
| O33 | P11 | O13 | C14 | 144.0° | 65.0° |
| P11 | O10 | C09 | C08 | 169.7° | 180.0° |
| O10 | P11 | O13 | C14 | 24.3° | 175.1° |
| P11 | O10 | C09 | H19 | 49.8° | 60.0° |
| P11 | O10 | C09 | H20 | 70.4° | 60.0° |
| O10 | P11 | O33 | H46 | 118.7° | 60.0° |
| O13 | P11 | O10 | C09 | 76.1° | 175.0° |
| P11 | O13 | C14 | O32 | 11.6° | 0.1° |
| P11 | O13 | C14 | C15 | 168.9° | 180.0° |
| O13 | P11 | O33 | H46 | 119.8° | 60.0° |
| O10 | C09 | C08 | H19 | 119.9° | 120.0° |
| O10 | C09 | C08 | H20 | 119.9° | 120.0° |
| O10 | C09 | C08 | O07 | 45.6° | 66.5° |
| O10 | C09 | C08 | C34 | 157.1° | 175.7° |
| O10 | C09 | C08 | H18 | 77.7° | 54.7° |
| O10 | C09 | H19 | H20 | 120.3° | 120.0° |
| C09 | C08 | O07 | C34 | 114.4° | 119.5° |
| C09 | C08 | O07 | H18 | 123.7° | 121.2° |
| C09 | C08 | C34 | H18 | 122.9° | 121.1° |
| C09 | C08 | C34 | O35 | 77.8° | 119.8° |
| C09 | C08 | O07 | C06 | 148.0° | 145.9° |
| C09 | C08 | C34 | C36 | 162.1° | 121.5° |
| C08 | C09 | H19 | H20 | 120.3° | 120.0° |
| C09 | C08 | C34 | H40 | 46.1° | 2.9° |
| O13 | C14 | O32 | C15 | 179.5° | 179.9° |
| O13 | C14 | C15 | C16 | 144.0° | 179.9° |
| O13 | C14 | C15 | H1 | 95.6° | 60.1° |
| O13 | C14 | C15 | H2 | 23.7° | 60.0° |
| O07 | C08 | C34 | H18 | 119.0° | 119.4° |
| O07 | C08 | C34 | O35 | 164.0° | 120.7° |
| O07 | C08 | C34 | C36 | 43.9° | 2.0° |
| C08 | O07 | C06 | C36 | 4.5° | 40.0° |
| C08 | O07 | C06 | N05 | 121.0° | 158.6° |
| C08 | O07 | C06 | H17 | 117.2° | 78.5° |
| O07 | C08 | C09 | H19 | 74.2° | 173.5° |
| O07 | C08 | C09 | H20 | 165.6° | 53.5° |
| O07 | C08 | C34 | H40 | 72.0° | 116.6° |
| C08 | C34 | O35 | C36 | 113.1° | 114.8° |
| C08 | C34 | O35 | H40 | 125.2° | 122.6° |
| C34 | C08 | O07 | C06 | 33.6° | 26.4° |
| C08 | C34 | C36 | H40 | 119.6° | 118.6° |
| C08 | C34 | C36 | O37 | 75.2° | 139.0° |
| C08 | C34 | C36 | C06 | 44.0° | 20.8° |
| C34 | C08 | C09 | H19 | 37.2° | 55.7° |
| C34 | C08 | C09 | H20 | 82.9° | 64.3° |
| C08 | C34 | C36 | H41 | 164.0° | 97.3° |
| C08 | C34 | O35 | H47 | 180.0° | 180.0° |
| O35 | C34 | C36 | H40 | 123.5° | 122.7° |
| O35 | C34 | C36 | O37 | 41.7° | 20.3° |
| O35 | C34 | C36 | C06 | 161.0° | 97.9° |
| O35 | C34 | C08 | H18 | 45.1° | 1.3° |
| O35 | C34 | C36 | H41 | 79.1° | 144.0° |
| O07 | C06 | C36 | C34 | 19.8° | 36.9° |
| O07 | C06 | C36 | O37 | 99.0° | 155.2° |
| O07 | C06 | C36 | N05 | 118.5° | 118.6° |
| O07 | C06 | C36 | H17 | 119.1° | 118.6° |
| O07 | C06 | N05 | H17 | 120.8° | 122.9° |
| O07 | C06 | N05 | C38 | 20.9° | 21.4° |
| O07 | C06 | N05 | C04 | 161.1° | 158.6° |
| C06 | O07 | C08 | H18 | 88.3° | 92.9° |
| O07 | C06 | C36 | H41 | 136.4° | 81.3° |
| O32 | C14 | C15 | C16 | 35.5° | 0.0° |
| O32 | C14 | C15 | H1 | 84.8° | 120.0° |
| O32 | C14 | C15 | H2 | 155.9° | 119.9° |
| C14 | C15 | C16 | H1 | 120.3° | 119.9° |
| C14 | C15 | C16 | H2 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 137.1° | 180.0° |
| C14 | C15 | H1 | H2 | 119.0° | 120.0° |
| C14 | C15 | C16 | H21 | 17.0° | 60.0° |
| C14 | C15 | C16 | H22 | 102.8° | 60.0° |
| C34 | C36 | O37 | C06 | 115.4° | 112.7° |
| C34 | C36 | O37 | H41 | 119.0° | 123.7° |
| C34 | C36 | C06 | H41 | 116.6° | 118.2° |
| C34 | C36 | C06 | N05 | 98.7° | 155.5° |
| C34 | C36 | C06 | H17 | 138.9° | 81.6° |
| C36 | C34 | C08 | H18 | 75.0° | 117.4° |
| C36 | C34 | O35 | H47 | 66.9° | 65.3° |
| C34 | C36 | O37 | H48 | 180.0° | 61.5° |
| O37 | C36 | C06 | H41 | 124.6° | 123.6° |
| O37 | C36 | C06 | N05 | 142.5° | 86.3° |
| O37 | C36 | C06 | H17 | 20.1° | 36.6° |
| O37 | C36 | C34 | H40 | 165.2° | 102.4° |
| C36 | C06 | N05 | H17 | 123.7° | 122.8° |
| C36 | C06 | N05 | C38 | 94.6° | 92.8° |
| C36 | C06 | N05 | C04 | 83.4° | 87.2° |
| C06 | C36 | C34 | H40 | 75.6° | 139.4° |
| C06 | C36 | O37 | H48 | 64.6° | 174.2° |
| C15 | C16 | C17 | H21 | 120.1° | 120.0° |
| C15 | C16 | C17 | H22 | 120.1° | 119.9° |
| C15 | C16 | C17 | C18 | 152.9° | 180.0° |
| C16 | C15 | H1 | H2 | 119.0° | 120.0° |
| C15 | C16 | C17 | H3 | 32.3° | 60.0° |
| C15 | C16 | C17 | H4 | 86.6° | 60.0° |
| C15 | C16 | H21 | H22 | 119.8° | 120.0° |
| C06 | N05 | C38 | C04 | 178.3° | 180.0° |
| C06 | N05 | C38 | N39 | 178.8° | 180.0° |
| C06 | N05 | C04 | N40 | 1.4° | 0.1° |
| C06 | N05 | C04 | C03 | 179.1° | 180.0° |
| N05 | C06 | C36 | H41 | 17.9° | 37.3° |
| C06 | N05 | C38 | H42 | 1.2° | 0.0° |
| N05 | C38 | N39 | H42 | 180.0° | 180.0° |
| C38 | N05 | C04 | N40 | 179.7° | 179.9° |
| C38 | N05 | C04 | C03 | 0.7° | 0.1° |
| N05 | C38 | N39 | C03 | 0.1° | 0.0° |
| C38 | N05 | C06 | H17 | 141.6° | 144.4° |
| C04 | N05 | C38 | N39 | 0.6° | 0.0° |
| N05 | C04 | N40 | C03 | 179.5° | 179.9° |
| N05 | C04 | N40 | C41 | 179.4° | 179.9° |
| N05 | C04 | C03 | N39 | 0.7° | 0.1° |
| N05 | C04 | C03 | C02 | 179.7° | 180.0° |
| C04 | N05 | C06 | H17 | 40.3° | 35.7° |
| C04 | N05 | C38 | H42 | 179.4° | 180.0° |
| C16 | C17 | C18 | H3 | 120.6° | 119.9° |
| C16 | C17 | C18 | H4 | 120.6° | 120.0° |
| C16 | C17 | C18 | C19 | 159.6° | 180.0° |
| C17 | C16 | C15 | H1 | 102.6° | 60.0° |
| C17 | C16 | C15 | H2 | 16.8° | 60.0° |
| C16 | C17 | H3 | H4 | 118.2° | 120.0° |
| C17 | C16 | H21 | H22 | 119.7° | 120.1° |
| C16 | C17 | C18 | H23 | 80.3° | 60.1° |
| C16 | C17 | C18 | H24 | 39.6° | 60.0° |
| C38 | N39 | C03 | C04 | 0.3° | 0.1° |
| C38 | N39 | C03 | C02 | 179.9° | 180.0° |
| C17 | C18 | C19 | H23 | 120.0° | 120.0° |
| C17 | C18 | C19 | H24 | 120.1° | 120.0° |
| C17 | C18 | C19 | C20 | 83.8° | 180.0° |
| C18 | C17 | H3 | H4 | 118.2° | 120.0° |
| C18 | C17 | C16 | H21 | 87.0° | 60.0° |
| C18 | C17 | C16 | H22 | 32.8° | 60.0° |
| C17 | C18 | H23 | H24 | 119.8° | 120.1° |
| C17 | C18 | C19 | H25 | 36.3° | 60.0° |
| C17 | C18 | C19 | H26 | 155.9° | 60.1° |
| N40 | C04 | C03 | N39 | 179.7° | 180.0° |
| N40 | C04 | C03 | C02 | 0.1° | 0.1° |
| C04 | N40 | C41 | N42 | 0.1° | 0.0° |
| C04 | N40 | C41 | H43 | 179.9° | 180.0° |
| C03 | C04 | N40 | C41 | 0.0° | 0.1° |
| C04 | C03 | N39 | C02 | 179.6° | 179.9° |
| C04 | C03 | C02 | N42 | 0.1° | 0.1° |
| C04 | C03 | C02 | N01 | 180.0° | 179.7° |
| N40 | C41 | N42 | H43 | 180.0° | 180.0° |
| N40 | C41 | N42 | C02 | 0.0° | 0.0° |
| N39 | C03 | C02 | N42 | 179.7° | 180.0° |
| N39 | C03 | C02 | N01 | 0.5° | 0.2° |
| C03 | N39 | C38 | H42 | 179.9° | 179.9° |
| C03 | C02 | N42 | C41 | 0.1° | 0.0° |
| C03 | C02 | N42 | N01 | 179.9° | 179.8° |
| C03 | C02 | N01 | H44 | 179.9° | 179.7° |
| C03 | C02 | N01 | H45 | 59.9° | 0.2° |
| C18 | C19 | C20 | H25 | 120.2° | 120.0° |
| C18 | C19 | C20 | H26 | 120.2° | 120.0° |
| C18 | C19 | C20 | C21 | 166.7° | 180.0° |
| C19 | C18 | C17 | H3 | 39.1° | 60.1° |
| C19 | C18 | C17 | H4 | 79.8° | 60.0° |
| C18 | C19 | C20 | H5 | 46.3° | 60.0° |
| C18 | C19 | C20 | H6 | 72.8° | 60.0° |
| C19 | C18 | H23 | H24 | 119.8° | 120.0° |
| C18 | C19 | H25 | H26 | 119.4° | 120.0° |
| C41 | N42 | C02 | N01 | 179.9° | 179.7° |
| C19 | C20 | C21 | H5 | 120.5° | 120.0° |
| C19 | C20 | C21 | H6 | 120.5° | 120.0° |
| C19 | C20 | C21 | C22 | 163.5° | 180.0° |
| C19 | C20 | H5 | H6 | 118.5° | 120.0° |
| C19 | C20 | C21 | H7 | 76.3° | 60.0° |
| C19 | C20 | C21 | H8 | 43.2° | 60.0° |
| C20 | C19 | C18 | H23 | 156.1° | 60.0° |
| C20 | C19 | C18 | H24 | 36.2° | 60.0° |
| C20 | C19 | H25 | H26 | 119.3° | 120.0° |
| C20 | C21 | C22 | C23 | 111.7° | 180.0° |
| C20 | C21 | C22 | H7 | 120.2° | 119.9° |
| C20 | C21 | C22 | H8 | 120.3° | 120.0° |
| C21 | C20 | H5 | H6 | 118.5° | 120.0° |
| C20 | C21 | H7 | H8 | 119.2° | 120.0° |
| C20 | C21 | C22 | H9 | 8.7° | 60.1° |
| C20 | C21 | C22 | H10 | 127.9° | 60.0° |
| C21 | C20 | C19 | H25 | 73.1° | 60.0° |
| C21 | C20 | C19 | H26 | 46.5° | 60.0° |
| C22 | C23 | C24 | H27 | 120.5° | 120.1° |
| C22 | C23 | C24 | H28 | 120.5° | 120.0° |
| C23 | C22 | C21 | H9 | 120.4° | 119.9° |
| C23 | C22 | C21 | H10 | 120.4° | 120.0° |
| C22 | C23 | C24 | C25 | 105.1° | 179.9° |
| C23 | C22 | C21 | H7 | 8.5° | 60.1° |
| C23 | C22 | C21 | H8 | 128.0° | 60.0° |
| C23 | C22 | H9 | H10 | 118.8° | 120.0° |
| C22 | C23 | C24 | H11 | 134.3° | 59.9° |
| C22 | C23 | C24 | H12 | 15.4° | 60.0° |
| C22 | C23 | H27 | H28 | 118.3° | 120.0° |
| C24 | C23 | C22 | C21 | 112.9° | 179.9° |
| C23 | C24 | C25 | H11 | 120.5° | 120.1° |
| C23 | C24 | C25 | H12 | 120.6° | 119.9° |
| C23 | C24 | C25 | C26 | 158.7° | 180.0° |
| C24 | C23 | C22 | H9 | 126.7° | 60.0° |
| C24 | C23 | C22 | H10 | 7.5° | 60.0° |
| C23 | C24 | H11 | H12 | 118.4° | 120.0° |
| C24 | C23 | H27 | H28 | 118.4° | 119.9° |
| C23 | C24 | C25 | H29 | 81.0° | 59.9° |
| C23 | C24 | C25 | H30 | 38.4° | 60.1° |
| C02 | N42 | C41 | H43 | 180.0° | 180.0° |
| N42 | C02 | N01 | H44 | 0.0° | 0.0° |
| N42 | C02 | N01 | H45 | 120.0° | 179.9° |
| C02 | N01 | H44 | H45 | 120.0° | 179.9° |
| C22 | C21 | C20 | H5 | 43.0° | 60.0° |
| C22 | C21 | C20 | H6 | 76.0° | 60.1° |
| C22 | C21 | H7 | H8 | 119.2° | 120.0° |
| C21 | C22 | H9 | H10 | 118.8° | 120.0° |
| C21 | C22 | C23 | H27 | 126.6° | 60.0° |
| C21 | C22 | C23 | H28 | 7.6° | 60.0° |
| C24 | C25 | C26 | H29 | 120.3° | 120.1° |
| C24 | C25 | C26 | H30 | 120.3° | 119.9° |
| C24 | C25 | C26 | C27 | 174.8° | 179.9° |
| C25 | C24 | H11 | H12 | 118.3° | 119.9° |
| C24 | C25 | C26 | H13 | 64.4° | 59.9° |
| C24 | C25 | C26 | H14 | 54.0° | 60.1° |
| C25 | C24 | C23 | H27 | 15.4° | 59.9° |
| C25 | C24 | C23 | H28 | 134.3° | 60.0° |
| C24 | C25 | H29 | H30 | 119.2° | 119.9° |
| C25 | C26 | C27 | H13 | 120.8° | 120.0° |
| C25 | C26 | C27 | H14 | 120.8° | 119.9° |
| C25 | C26 | C27 | C28 | 160.2° | 179.9° |
| C26 | C25 | C24 | H11 | 38.2° | 59.9° |
| C26 | C25 | C24 | H12 | 80.7° | 60.1° |
| C25 | C26 | H13 | H14 | 117.5° | 119.9° |
| C26 | C25 | H29 | H30 | 119.2° | 120.0° |
| C25 | C26 | C27 | H31 | 40.1° | 60.0° |
| C25 | C26 | C27 | H32 | 79.7° | 60.0° |
| C26 | C27 | C28 | H31 | 120.1° | 119.9° |
| C26 | C27 | C28 | H32 | 120.1° | 120.0° |
| C26 | C27 | C28 | C29 | 161.1° | 180.0° |
| C27 | C26 | H13 | H14 | 117.5° | 120.1° |
| C26 | C27 | C28 | H15 | 40.4° | 60.1° |
| C26 | C27 | C28 | H16 | 78.2° | 60.0° |
| C27 | C26 | C25 | H29 | 54.5° | 59.9° |
| C27 | C26 | C25 | H30 | 65.0° | 60.0° |
| C26 | C27 | H31 | H32 | 119.8° | 120.0° |
| C27 | C28 | C29 | H15 | 120.7° | 120.0° |
| C27 | C28 | C29 | H16 | 120.7° | 120.0° |
| C27 | C28 | C29 | C30 | 171.8° | 180.0° |
| C28 | C27 | C26 | H13 | 79.0° | 60.0° |
| C28 | C27 | C26 | H14 | 39.4° | 60.0° |
| C27 | C28 | H15 | H16 | 117.9° | 120.1° |
| C28 | C27 | H31 | H32 | 119.8° | 120.0° |
| C27 | C28 | C29 | H33 | 67.8° | 60.1° |
| C27 | C28 | C29 | H34 | 51.5° | 60.0° |
| C28 | C29 | C30 | H33 | 120.4° | 120.0° |
| C28 | C29 | C30 | H34 | 120.3° | 120.0° |
| C28 | C29 | C30 | C31 | 163.5° | 180.0° |
| C29 | C28 | H15 | H16 | 117.8° | 120.0° |
| C29 | C28 | C27 | H31 | 78.8° | 60.1° |
| C29 | C28 | C27 | H32 | 41.0° | 60.0° |
| C28 | C29 | H33 | H34 | 118.9° | 120.0° |
| C28 | C29 | C30 | H35 | 76.1° | 60.0° |
| C28 | C29 | C30 | H36 | 43.1° | 60.0° |
| C29 | C30 | C31 | H35 | 120.4° | 120.0° |
| C29 | C30 | C31 | H36 | 120.4° | 120.0° |
| C30 | C29 | C28 | H15 | 51.1° | 60.0° |
| C30 | C29 | C28 | H16 | 67.5° | 60.0° |
| C30 | C29 | H33 | H34 | 118.9° | 120.0° |
| C29 | C30 | H35 | H36 | 118.8° | 120.0° |
| C29 | C30 | C31 | H37 | 180.0° | 60.0° |
| C29 | C30 | C31 | H38 | 60.0° | 180.0° |
| C29 | C30 | C31 | H39 | 60.0° | 60.0° |
| C31 | C30 | C29 | H33 | 43.1° | 60.0° |
| C31 | C30 | C29 | H34 | 76.2° | 60.0° |
| C31 | C30 | H35 | H36 | 118.8° | 120.0° |
| C30 | C31 | H37 | H38 | 120.0° | 120.0° |
| C30 | C31 | H37 | H39 | 120.0° | 120.0° |
| C30 | C31 | H38 | H39 | 120.0° | 120.0° |
| H1 | C15 | C16 | H21 | 137.3° | 180.0° |
| H1 | C15 | C16 | H22 | 17.5° | 59.9° |
| H2 | C15 | C16 | H21 | 103.3° | 60.0° |
| H2 | C15 | C16 | H22 | 136.8° | 180.0° |
| H3 | C17 | C16 | H21 | 152.4° | 180.0° |
| H3 | C17 | C16 | H22 | 87.8° | 60.0° |
| H3 | C17 | C18 | H23 | 159.1° | 180.0° |
| H3 | C17 | C18 | H24 | 81.0° | 59.9° |
| H4 | C17 | C16 | H21 | 33.5° | 60.0° |
| H4 | C17 | C16 | H22 | 153.3° | 179.9° |
| H4 | C17 | C18 | H23 | 40.3° | 60.0° |
| H4 | C17 | C18 | H24 | 160.1° | 180.0° |
| H5 | C20 | C21 | H7 | 163.3° | 60.0° |
| H5 | C20 | C21 | H8 | 77.2° | 180.0° |
| H5 | C20 | C19 | H25 | 166.5° | 180.0° |
| H5 | C20 | C19 | H26 | 74.0° | 60.0° |
| H6 | C20 | C21 | H7 | 44.2° | 180.0° |
| H6 | C20 | C21 | H8 | 163.7° | 60.0° |
| H6 | C20 | C19 | H25 | 47.4° | 60.0° |
| H6 | C20 | C19 | H26 | 167.0° | 180.0° |
| H7 | C21 | C22 | H9 | 128.9° | NaN° |
| H7 | C21 | C22 | H10 | 111.9° | 60.0° |
| H8 | C21 | C22 | H9 | 111.6° | 60.0° |
| H8 | C21 | C22 | H10 | 7.6° | 180.0° |
| H9 | C22 | C23 | H27 | 6.2° | 180.0° |
| H9 | C22 | C23 | H28 | 112.8° | 60.0° |
| H10 | C22 | C23 | H27 | 113.0° | 60.1° |
| H10 | C22 | C23 | H28 | 128.0° | 180.0° |
| H11 | C24 | C23 | H27 | 105.2° | 180.0° |
| H11 | C24 | C23 | H28 | 13.8° | 60.1° |
| H11 | C24 | C25 | H29 | 158.4° | 180.0° |
| H11 | C24 | C25 | H30 | 82.1° | 60.0° |
| H12 | C24 | C23 | H27 | 135.9° | 60.0° |
| H12 | C24 | C23 | H28 | 105.1° | 179.9° |
| H12 | C24 | C25 | H29 | 39.5° | 60.0° |
| H12 | C24 | C25 | H30 | 159.0° | 180.0° |
| H13 | C26 | C25 | H29 | 175.3° | 180.0° |
| H13 | C26 | C25 | H30 | 55.8° | 60.0° |
| H13 | C26 | C27 | H31 | 160.9° | 180.0° |
| H13 | C26 | C27 | H32 | 41.1° | 60.0° |
| H14 | C26 | C25 | H29 | 66.3° | 60.0° |
| H14 | C26 | C25 | H30 | 174.2° | 180.0° |
| H14 | C26 | C27 | H31 | 80.7° | 60.0° |
| H14 | C26 | C27 | H32 | 159.5° | 179.9° |
| H15 | C28 | C27 | H31 | 160.5° | 180.0° |
| H15 | C28 | C27 | H32 | 79.7° | 60.0° |
| H15 | C28 | C29 | H33 | 171.5° | 180.0° |
| H15 | C28 | C29 | H34 | 69.2° | 60.0° |
| H16 | C28 | C27 | H31 | 41.9° | 59.9° |
| H16 | C28 | C27 | H32 | 161.7° | 180.0° |
| H16 | C28 | C29 | H33 | 52.9° | 60.0° |
| H16 | C28 | C29 | H34 | 172.1° | 180.0° |
| H17 | C06 | C36 | H41 | 104.5° | 160.2° |
| H18 | C08 | C09 | H19 | 162.4° | 65.4° |
| H18 | C08 | C09 | H20 | 42.2° | 174.6° |
| H18 | C08 | C34 | H40 | 169.0° | 124.0° |
| H23 | C18 | C19 | H25 | 83.7° | 60.0° |
| H23 | C18 | C19 | H26 | 35.9° | 180.0° |
| H24 | C18 | C19 | H25 | 156.4° | 180.0° |
| H24 | C18 | C19 | H26 | 84.0° | 60.0° |
| H33 | C29 | C30 | H35 | 163.5° | 180.0° |
| H33 | C29 | C30 | H36 | 77.3° | 60.0° |
| H34 | C29 | C30 | H35 | 44.2° | 60.0° |
| H34 | C29 | C30 | H36 | 163.4° | 180.0° |
| H35 | C30 | C31 | H37 | 59.6° | 60.0° |
| H35 | C30 | C31 | H38 | 179.6° | 60.0° |
| H35 | C30 | C31 | H39 | 60.4° | 180.0° |
| H36 | C30 | C31 | H37 | 59.6° | 180.0° |
| H36 | C30 | C31 | H38 | 60.4° | 60.0° |
| H36 | C30 | C31 | H39 | 179.6° | 60.0° |
| H37 | C31 | H38 | H39 | 120.0° | 120.0° |
| H40 | C34 | C36 | H41 | 44.4° | 21.3° |
| H40 | C34 | O35 | H47 | 54.8° | 57.4° |
| H41 | C36 | O37 | H48 | 61.1° | 62.2° |
