YOY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C19 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C11 | O9 | sing | 1.43Å | 1.46Å | |
| C11 | O13 | sing | 1.44Å | 1.41Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| O9 | C10 | sing | 1.44Å | 1.37Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| O13 | C15 | sing | 1.44Å | 1.43Å | |
| C10 | O8 | sing | 1.43Å | 1.53Å | |
| C10 | C15 | sing | 1.56Å | 1.43Å | |
| O8 | C9 | sing | 1.43Å | 1.49Å | |
| C15 | C16 | sing | 1.55Å | 1.48Å | |
| C16 | C9 | sing | 1.54Å | 1.46Å | |
| C16 | O14 | sing | 1.43Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | O7 | sing | 1.43Å | 1.41Å | |
| O7 | P1 | sing | 1.61Å | 1.68Å | |
| O3 | P | doub | 1.48Å | 1.46Å | |
| O2 | P | sing | 1.61Å | 1.46Å | |
| P1 | O5 | doub | 1.48Å | 1.46Å | |
| P1 | O4 | sing | 1.61Å | 1.66Å | |
| P1 | O6 | sing | 1.61Å | 1.47Å | |
| P | O4 | sing | 1.61Å | 1.66Å | |
| P | O1 | sing | 1.61Å | 1.66Å | |
| O1 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.48Å | |
| C6 | C17 | sing | 1.54Å | 1.46Å | |
| C6 | O | sing | 1.44Å | 1.56Å | |
| C17 | C18 | sing | 1.55Å | 1.43Å | |
| C17 | O15 | sing | 1.43Å | 1.48Å | |
| C18 | O16 | sing | 1.43Å | 1.48Å | |
| C18 | C5 | sing | 1.55Å | 1.46Å | |
| C3 | N4 | doub | 1.30Å | 1.36Å | Aromatic |
| C3 | N3 | sing | 1.36Å | 1.28Å | Aromatic |
| O | C5 | sing | 1.44Å | 1.56Å | |
| N4 | C4 | sing | 1.35Å | 1.51Å | Aromatic |
| C5 | N3 | sing | 1.47Å | 1.39Å | |
| N3 | C2 | sing | 1.37Å | 1.30Å | Aromatic |
| C4 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C4 | C | sing | 1.41Å | 1.37Å | Aromatic |
| C2 | N2 | sing | 1.33Å | 1.32Å | Aromatic |
| N | C | sing | 1.38Å | 1.45Å | |
| C | N1 | doub | 1.33Å | 1.32Å | Aromatic |
| N2 | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.08Å | 1.08Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.09Å | 1.10Å | |
| C8 | H40 | sing | 1.09Å | 1.10Å | |
| C8 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.09Å | 1.10Å | |
| O14 | H43 | sing | 0.97Å | 0.95Å | |
| O15 | H44 | sing | 0.97Å | 0.95Å | |
| O16 | H45 | sing | 0.97Å | 0.95Å | |
| O2 | H46 | sing | 0.97Å | 0.95Å | |
| O6 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C14 | C13 | 110.0° | 109.5° |
| C14 | C19 | C20 | 110.7° | 109.4° |
| C19 | C14 | H10 | 109.3° | 109.5° |
| C19 | C14 | H11 | 109.3° | 109.5° |
| C14 | C19 | H16 | 109.2° | 109.4° |
| C14 | C19 | H17 | 109.2° | 109.4° |
| C14 | C13 | C12 | 109.9° | 109.5° |
| C14 | C13 | H8 | 109.3° | 109.4° |
| C14 | C13 | H9 | 109.4° | 109.5° |
| C13 | C14 | H10 | 109.3° | 109.4° |
| C13 | C14 | H11 | 109.3° | 109.5° |
| C19 | C20 | C21 | 110.5° | 109.4° |
| C20 | C19 | H16 | 109.2° | 109.5° |
| C20 | C19 | H17 | 109.2° | 109.5° |
| C19 | C20 | H18 | 109.2° | 109.5° |
| C19 | C20 | H19 | 109.2° | 109.5° |
| C20 | C21 | C22 | 110.4° | 109.5° |
| C21 | C20 | H18 | 109.2° | 109.5° |
| C21 | C20 | H19 | 109.2° | 109.4° |
| C20 | C21 | H20 | 109.2° | 109.5° |
| C20 | C21 | H21 | 109.3° | 109.5° |
| C23 | C22 | C21 | 110.4° | 109.5° |
| C22 | C23 | C24 | 110.6° | 109.5° |
| C23 | C22 | H22 | 109.3° | 109.5° |
| C23 | C22 | H23 | 109.2° | 109.5° |
| C22 | C23 | H24 | 109.2° | 109.5° |
| C22 | C23 | H25 | 109.2° | 109.5° |
| C22 | C21 | H20 | 109.2° | 109.5° |
| C22 | C21 | H21 | 109.2° | 109.4° |
| C21 | C22 | H22 | 109.2° | 109.5° |
| C21 | C22 | H23 | 109.2° | 109.4° |
| C13 | C12 | C11 | 114.0° | 109.5° |
| C13 | C12 | H6 | 108.3° | 109.4° |
| C13 | C12 | H7 | 108.3° | 109.5° |
| C12 | C13 | H8 | 109.4° | 109.5° |
| C12 | C13 | H9 | 109.4° | 109.5° |
| C12 | C11 | O9 | 109.5° | 109.7° |
| C12 | C11 | O13 | 110.4° | 109.6° |
| C12 | C11 | H5 | 109.9° | 109.5° |
| C11 | C12 | H6 | 108.4° | 109.5° |
| C11 | C12 | H7 | 108.3° | 109.5° |
| C23 | C24 | C25 | 109.8° | 109.5° |
| C24 | C23 | H24 | 109.2° | 109.4° |
| C24 | C23 | H25 | 109.2° | 109.5° |
| C23 | C24 | H26 | 109.4° | 109.5° |
| C23 | C24 | H27 | 109.4° | 109.5° |
| O9 | C11 | O13 | 105.3° | 108.9° |
| C11 | O9 | C10 | 106.2° | 107.7° |
| O9 | C11 | H5 | 110.5° | 109.6° |
| C11 | O13 | C15 | 105.0° | 105.2° |
| O13 | C11 | H5 | 111.1° | 109.6° |
| C24 | C25 | C26 | 109.6° | 109.4° |
| C25 | C24 | H26 | 109.4° | 109.4° |
| C25 | C24 | H27 | 109.4° | 109.5° |
| C24 | C25 | H28 | 109.4° | 109.4° |
| C24 | C25 | H29 | 109.4° | 109.5° |
| C25 | C26 | C27 | 110.3° | 109.4° |
| C26 | C25 | H28 | 109.4° | 109.5° |
| C26 | C25 | H29 | 109.4° | 109.5° |
| C25 | C26 | H30 | 109.3° | 109.5° |
| C25 | C26 | H31 | 109.3° | 109.5° |
| O9 | C10 | O8 | 110.1° | 109.0° |
| O9 | C10 | C15 | 107.1° | 103.0° |
| O9 | C10 | H4 | 111.3° | 113.2° |
| C27 | C26 | H30 | 109.3° | 109.5° |
| C27 | C26 | H31 | 109.3° | 109.4° |
| C26 | C27 | H32 | 109.5° | 109.5° |
| C26 | C27 | H33 | 109.5° | 109.5° |
| C26 | C27 | H34 | 109.5° | 109.5° |
| O13 | C15 | C10 | 108.0° | 102.0° |
| O13 | C15 | C16 | 110.3° | 108.8° |
| O13 | C15 | H12 | 110.8° | 114.7° |
| O8 | C10 | C15 | 108.9° | 105.6° |
| C10 | O8 | C9 | 103.7° | 110.8° |
| O8 | C10 | H4 | 109.0° | 112.6° |
| C10 | C15 | C16 | 107.0° | 101.7° |
| C15 | C10 | H4 | 110.4° | 112.7° |
| C10 | C15 | H12 | 110.7° | 114.4° |
| O8 | C9 | C16 | 106.6° | 107.6° |
| O8 | C9 | C8 | 107.6° | 109.8° |
| O8 | C9 | H42 | 110.5° | 109.9° |
| C15 | C16 | C9 | 106.8° | 102.9° |
| C15 | C16 | O14 | 109.8° | 110.7° |
| C16 | C15 | H12 | 110.0° | 113.9° |
| C15 | C16 | H13 | 109.3° | 110.7° |
| C9 | C16 | O14 | 111.5° | 110.7° |
| C16 | C9 | C8 | 110.7° | 109.8° |
| C9 | C16 | H13 | 109.6° | 110.7° |
| C16 | C9 | H42 | 111.0° | 109.9° |
| O14 | C16 | H13 | 109.7° | 110.8° |
| C16 | O14 | H43 | 109.5° | 114.1° |
| C9 | C8 | O7 | 110.5° | 109.5° |
| C9 | C8 | H40 | 109.2° | 109.4° |
| C9 | C8 | H41 | 109.2° | 109.5° |
| C8 | C9 | H42 | 110.3° | 109.8° |
| C8 | O7 | P1 | 119.0° | 123.0° |
| O7 | C8 | H40 | 109.2° | 109.5° |
| O7 | C8 | H41 | 109.2° | 109.5° |
| O7 | P1 | O5 | 111.1° | 109.5° |
| O7 | P1 | O4 | 109.2° | 109.5° |
| O7 | P1 | O6 | 112.8° | 109.4° |
| O3 | P | O2 | 103.6° | 109.5° |
| O3 | P | O4 | 111.2° | 109.4° |
| O3 | P | O1 | 111.4° | 109.5° |
| O2 | P | O4 | 109.7° | 109.5° |
| O2 | P | O1 | 112.7° | 109.5° |
| P | O2 | H46 | 109.5° | 114.0° |
| O5 | P1 | O4 | 108.2° | 109.5° |
| O5 | P1 | O6 | 103.5° | 109.5° |
| O4 | P1 | O6 | 111.9° | 109.5° |
| P1 | O4 | P | 121.8° | 134.0° |
| P1 | O6 | H47 | 109.5° | 114.0° |
| O4 | P | O1 | 108.2° | 109.5° |
| P | O1 | C7 | 118.4° | 123.0° |
| O1 | C7 | C6 | 107.3° | 109.5° |
| O1 | C7 | H38 | 110.0° | 109.5° |
| O1 | C7 | H39 | 110.0° | 109.5° |
| C7 | C6 | C17 | 109.2° | 109.9° |
| C7 | C6 | O | 110.4° | 109.9° |
| C7 | C6 | H37 | 109.8° | 110.0° |
| C6 | C7 | H38 | 110.0° | 109.5° |
| C6 | C7 | H39 | 110.0° | 109.4° |
| C17 | C6 | O | 108.5° | 107.3° |
| C6 | C17 | C18 | 106.7° | 104.2° |
| C6 | C17 | O15 | 107.8° | 110.5° |
| C6 | C17 | H14 | 110.6° | 110.6° |
| C17 | C6 | H37 | 110.1° | 109.9° |
| C6 | O | C5 | 100.0° | 107.0° |
| O | C6 | H37 | 108.7° | 109.9° |
| C18 | C17 | O15 | 110.5° | 110.5° |
| C17 | C18 | O16 | 108.8° | 110.9° |
| C17 | C18 | C5 | 105.9° | 102.1° |
| C18 | C17 | H14 | 110.9° | 110.5° |
| C17 | C18 | H15 | 111.4° | 110.9° |
| O15 | C17 | H14 | 110.1° | 110.4° |
| C17 | O15 | H44 | 109.5° | 114.0° |
| O16 | C18 | C5 | 109.0° | 110.9° |
| O16 | C18 | H15 | 110.7° | 110.8° |
| C18 | O16 | H45 | 109.5° | 114.0° |
| C18 | C5 | O | 108.6° | 103.5° |
| C18 | C5 | N3 | 115.5° | 110.6° |
| C5 | C18 | H15 | 110.9° | 110.9° |
| C18 | C5 | H36 | 109.7° | 110.6° |
| N4 | C3 | N3 | 104.9° | 110.0° |
| C3 | N4 | C4 | 104.9° | 109.4° |
| N4 | C3 | H35 | 127.5° | 125.0° |
| C3 | N3 | C5 | 120.8° | 126.3° |
| C3 | N3 | C2 | 123.3° | 107.4° |
| N3 | C3 | H35 | 127.5° | 125.0° |
| O | C5 | N3 | 103.8° | 110.6° |
| O | C5 | H36 | 108.3° | 110.6° |
| N4 | C4 | C2 | 106.6° | 107.2° |
| N4 | C4 | C | 135.6° | 134.7° |
| C5 | N3 | C2 | 115.7° | 126.3° |
| N3 | C5 | H36 | 110.6° | 110.7° |
| N3 | C2 | C4 | 100.2° | 106.0° |
| N3 | C2 | N2 | 139.8° | 134.9° |
| C2 | C4 | C | 117.8° | 118.2° |
| C4 | C2 | N2 | 119.9° | 119.1° |
| C4 | C | N | 119.4° | 120.8° |
| C4 | C | N1 | 119.8° | 118.4° |
| C2 | N2 | C1 | 119.7° | 120.6° |
| N | C | N1 | 120.8° | 120.8° |
| C | N | H1 | 109.5° | 120.0° |
| C | N | H2 | 109.5° | 120.0° |
| C | N1 | C1 | 120.9° | 121.2° |
| N2 | C1 | N1 | 121.9° | 122.5° |
| N2 | C1 | H3 | 119.1° | 118.8° |
| N1 | C1 | H3 | 119.0° | 118.7° |
| H1 | N | H2 | 109.5° | 120.1° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H30 | C26 | H31 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H34 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.4° | 109.5° |
| H38 | C7 | H39 | 109.5° | 109.5° |
| H40 | C8 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C14 | C13 | H10 | 120.1° | 120.0° |
| C19 | C14 | C13 | H11 | 120.1° | 120.1° |
| C14 | C19 | C20 | H16 | 120.2° | 120.0° |
| C14 | C19 | C20 | H17 | 120.2° | 119.9° |
| C14 | C19 | C20 | C21 | 157.1° | 180.0° |
| C19 | C14 | C13 | C12 | 159.7° | NaN° |
| C19 | C14 | C13 | H8 | 39.7° | 60.0° |
| C19 | C14 | C13 | H9 | 80.2° | 60.0° |
| C19 | C14 | H10 | H11 | 119.8° | 120.0° |
| C14 | C19 | H16 | H17 | 119.5° | 120.0° |
| C14 | C19 | C20 | H18 | 82.7° | 60.0° |
| C14 | C19 | C20 | H19 | 37.0° | 60.0° |
| C13 | C14 | C19 | C20 | 146.4° | 180.0° |
| C14 | C13 | C12 | H8 | 120.0° | 120.0° |
| C14 | C13 | C12 | H9 | 120.1° | 120.0° |
| C14 | C13 | C12 | C11 | 155.4° | 180.0° |
| C14 | C13 | C12 | H6 | 34.6° | 60.0° |
| C14 | C13 | C12 | H7 | 84.0° | 60.0° |
| C14 | C13 | H8 | H9 | 119.8° | 120.0° |
| C13 | C14 | H10 | H11 | 119.7° | 119.9° |
| C13 | C14 | C19 | H16 | 26.2° | 60.0° |
| C13 | C14 | C19 | H17 | 93.4° | 60.0° |
| C19 | C20 | C21 | H18 | 120.1° | 120.0° |
| C19 | C20 | C21 | H19 | 120.2° | 119.9° |
| C19 | C20 | C21 | C22 | 95.6° | 180.0° |
| C20 | C19 | C14 | H10 | 26.3° | 60.0° |
| C20 | C19 | C14 | H11 | 93.5° | 60.0° |
| C20 | C19 | H16 | H17 | 119.5° | 120.1° |
| C19 | C20 | H18 | H19 | 119.6° | 120.0° |
| C19 | C20 | C21 | H20 | 144.3° | 60.0° |
| C19 | C20 | C21 | H21 | 24.6° | 60.0° |
| C20 | C21 | C22 | C23 | 160.3° | 180.0° |
| C20 | C21 | C22 | H20 | 120.1° | 120.0° |
| C20 | C21 | C22 | H21 | 120.2° | 120.0° |
| C21 | C20 | C19 | H16 | 37.0° | 60.0° |
| C21 | C20 | C19 | H17 | 82.7° | 60.1° |
| C21 | C20 | H18 | H19 | 119.5° | 120.0° |
| C20 | C21 | H20 | H21 | 119.6° | 120.0° |
| C20 | C21 | C22 | H22 | 40.2° | 59.9° |
| C20 | C21 | C22 | H23 | 79.6° | 60.0° |
| C23 | C22 | C21 | H22 | 120.1° | 120.0° |
| C23 | C22 | C21 | H23 | 120.1° | 120.0° |
| C22 | C23 | C24 | H24 | 120.2° | 120.0° |
| C22 | C23 | C24 | H25 | 120.2° | 120.0° |
| C22 | C23 | C24 | C25 | 118.5° | 180.0° |
| C23 | C22 | C21 | H20 | 40.2° | 60.0° |
| C23 | C22 | C21 | H21 | 79.5° | 60.0° |
| C23 | C22 | H22 | H23 | 119.6° | 120.0° |
| C22 | C23 | H24 | H25 | 119.5° | 120.0° |
| C22 | C23 | C24 | H26 | 121.4° | 60.0° |
| C22 | C23 | C24 | H27 | 1.5° | 60.0° |
| C21 | C22 | C23 | C24 | 104.6° | 180.0° |
| C22 | C21 | C20 | H18 | 24.6° | 60.0° |
| C22 | C21 | C20 | H19 | 144.3° | 60.1° |
| C22 | C21 | H20 | H21 | 119.6° | 120.0° |
| C21 | C22 | H22 | H23 | 119.6° | 120.0° |
| C21 | C22 | C23 | H24 | 135.2° | 60.0° |
| C21 | C22 | C23 | H25 | 15.6° | 60.0° |
| C13 | C12 | C11 | H6 | 120.7° | 120.0° |
| C13 | C12 | C11 | H7 | 120.6° | 120.0° |
| C13 | C12 | C11 | O9 | 92.9° | 66.4° |
| C13 | C12 | C11 | O13 | 22.6° | 174.1° |
| C13 | C12 | C11 | H5 | 145.6° | 53.8° |
| C13 | C12 | H6 | H7 | 117.9° | 120.0° |
| C12 | C13 | H8 | H9 | 119.8° | 120.0° |
| C12 | C13 | C14 | H10 | 80.2° | 60.0° |
| C12 | C13 | C14 | H11 | 39.6° | 59.9° |
| C12 | C11 | O9 | O13 | 118.7° | 119.9° |
| C12 | C11 | O9 | H5 | 121.2° | 120.2° |
| C12 | C11 | O13 | H5 | 122.3° | 120.2° |
| C12 | C11 | O9 | C10 | 148.4° | 121.2° |
| C12 | C11 | O13 | C15 | 144.2° | 144.0° |
| C11 | C12 | H6 | H7 | 118.0° | 120.0° |
| C11 | C12 | C13 | H8 | 84.6° | 60.0° |
| C11 | C12 | C13 | H9 | 35.3° | 60.0° |
| C23 | C24 | C25 | H26 | 120.0° | 120.0° |
| C23 | C24 | C25 | H27 | 120.1° | 120.0° |
| C23 | C24 | C25 | C26 | 166.5° | 180.0° |
| C24 | C23 | C22 | H22 | 135.3° | 60.0° |
| C24 | C23 | C22 | H23 | 15.5° | 60.0° |
| C24 | C23 | H24 | H25 | 119.5° | 120.0° |
| C23 | C24 | H26 | H27 | 119.9° | 120.0° |
| C23 | C24 | C25 | H28 | 73.5° | 60.0° |
| C23 | C24 | C25 | H29 | 46.5° | 60.0° |
| O9 | C11 | O13 | H5 | 119.6° | 119.8° |
| O9 | C11 | O13 | C15 | 26.1° | 24.1° |
| C11 | O9 | C10 | O8 | 139.0° | 91.8° |
| C11 | O9 | C10 | C15 | 20.7° | 20.0° |
| C11 | O9 | C10 | H4 | 100.0° | 142.1° |
| O9 | C11 | C12 | H6 | 27.8° | 53.5° |
| O9 | C11 | C12 | H7 | 146.5° | 173.6° |
| O13 | C11 | O9 | C10 | 29.6° | 1.3° |
| C11 | O13 | C15 | C10 | 13.9° | 35.0° |
| C11 | O13 | C15 | C16 | 130.5° | 141.9° |
| O13 | C11 | C12 | H6 | 143.3° | 65.9° |
| O13 | C11 | C12 | H7 | 98.0° | 54.1° |
| C11 | O13 | C15 | H12 | 107.4° | 89.2° |
| C24 | C25 | C26 | H28 | 120.0° | 120.0° |
| C24 | C25 | C26 | H29 | 120.0° | 120.0° |
| C24 | C25 | C26 | C27 | 83.3° | 180.0° |
| C25 | C24 | C23 | H24 | 1.7° | 60.0° |
| C25 | C24 | C23 | H25 | 121.3° | 60.0° |
| C25 | C24 | H26 | H27 | 119.9° | 120.0° |
| C24 | C25 | H28 | H29 | 119.9° | 120.0° |
| C24 | C25 | C26 | H30 | 156.6° | 60.0° |
| C24 | C25 | C26 | H31 | 36.8° | 60.1° |
| C25 | C26 | C27 | H30 | 120.2° | 120.0° |
| C25 | C26 | C27 | H31 | 120.1° | 120.0° |
| C26 | C25 | C24 | H26 | 46.5° | 60.0° |
| C26 | C25 | C24 | H27 | 73.4° | 60.0° |
| C26 | C25 | H28 | H29 | 119.9° | 120.0° |
| C25 | C26 | H30 | H31 | 119.6° | 120.1° |
| C25 | C26 | C27 | H32 | 180.0° | 60.0° |
| C25 | C26 | C27 | H33 | 60.0° | 60.0° |
| C25 | C26 | C27 | H34 | 60.0° | 180.0° |
| O9 | C10 | C15 | O13 | 4.5° | 34.0° |
| O9 | C10 | O8 | C15 | 117.2° | 110.1° |
| O9 | C10 | O8 | H4 | 122.3° | 126.5° |
| O9 | C10 | C15 | H4 | 121.3° | 122.4° |
| O9 | C10 | O8 | C9 | 128.6° | 130.1° |
| O9 | C10 | C15 | C16 | 114.2° | 146.3° |
| C10 | O9 | C11 | H5 | 90.4° | 118.6° |
| O9 | C10 | C15 | H12 | 126.0° | 90.5° |
| C27 | C26 | C25 | H28 | 36.8° | 60.0° |
| C27 | C26 | C25 | H29 | 156.7° | 60.1° |
| C27 | C26 | H30 | H31 | 119.6° | 119.9° |
| C26 | C27 | H32 | H33 | 120.0° | 120.0° |
| C26 | C27 | H32 | H34 | 120.0° | 120.0° |
| C26 | C27 | H33 | H34 | 120.0° | 120.0° |
| O13 | C15 | C10 | O8 | 123.6° | 80.3° |
| O13 | C15 | C10 | C16 | 118.8° | 112.3° |
| O13 | C15 | C10 | H12 | 121.4° | 124.4° |
| O13 | C15 | C16 | H12 | 122.5° | 129.3° |
| O13 | C15 | C16 | C9 | 137.0° | 75.8° |
| O13 | C15 | C16 | O14 | 101.9° | 165.9° |
| O13 | C15 | C10 | H4 | 116.8° | 156.3° |
| C15 | O13 | C11 | H5 | 93.5° | 95.8° |
| O13 | C15 | C16 | H13 | 18.5° | 42.5° |
| O8 | C10 | C15 | H4 | 119.6° | 123.3° |
| O8 | C10 | C15 | C16 | 4.9° | 32.0° |
| C10 | O8 | C9 | C16 | 23.4° | 0.8° |
| C10 | O8 | C9 | C8 | 95.4° | 120.3° |
| O8 | C10 | C15 | H12 | 114.9° | 155.2° |
| C10 | O8 | C9 | H42 | 144.1° | 118.9° |
| C15 | C10 | O8 | C9 | 11.4° | 20.0° |
| C10 | C15 | C16 | H12 | 120.2° | 123.6° |
| C10 | C15 | C16 | C9 | 19.8° | 31.3° |
| C10 | C15 | C16 | O14 | 140.9° | 87.0° |
| C10 | C15 | C16 | H13 | 98.7° | 149.6° |
| O8 | C9 | C16 | C15 | 27.2° | 21.1° |
| O8 | C9 | C16 | C8 | 116.8° | 119.5° |
| O8 | C9 | C16 | H42 | 120.4° | 119.6° |
| O8 | C9 | C16 | O14 | 147.2° | 97.3° |
| O8 | C9 | C8 | H42 | 120.7° | 120.9° |
| O8 | C9 | C8 | O7 | 108.7° | 66.8° |
| C9 | O8 | C10 | H4 | 109.1° | 103.4° |
| O8 | C9 | C16 | H13 | 91.1° | 139.4° |
| O8 | C9 | C8 | H40 | 11.4° | 53.2° |
| O8 | C9 | C8 | H41 | 131.1° | 173.2° |
| C15 | C16 | C9 | O14 | 120.0° | 118.4° |
| C15 | C16 | C9 | H13 | 118.3° | 118.4° |
| C15 | C16 | O14 | H13 | 120.1° | 123.3° |
| C15 | C16 | C9 | C8 | 89.6° | 140.6° |
| C16 | C15 | C10 | H4 | 124.4° | 91.4° |
| C15 | C16 | C9 | H42 | 147.7° | 98.5° |
| C15 | C16 | O14 | H43 | 180.0° | 180.0° |
| C9 | C16 | O14 | H13 | 121.7° | 123.2° |
| C16 | C9 | C8 | H42 | 123.2° | 120.9° |
| C16 | C9 | C8 | O7 | 135.1° | 175.0° |
| C9 | C16 | C15 | H12 | 100.4° | 154.9° |
| C16 | C9 | C8 | H40 | 104.8° | 65.0° |
| C16 | C9 | C8 | H41 | 14.9° | 55.0° |
| C9 | C16 | O14 | H43 | 61.8° | 66.5° |
| O14 | C16 | C9 | C8 | 30.4° | 22.2° |
| O14 | C16 | C15 | H12 | 20.7° | 36.6° |
| O14 | C16 | C9 | H42 | 92.4° | 143.1° |
| C9 | C8 | O7 | H40 | 120.1° | 120.0° |
| C9 | C8 | O7 | H41 | 120.2° | 120.0° |
| C9 | C8 | O7 | P1 | 119.6° | 180.0° |
| C8 | C9 | C16 | H13 | 152.1° | 101.0° |
| C9 | C8 | H40 | H41 | 119.5° | 119.9° |
| C8 | O7 | P1 | O5 | 24.3° | 55.0° |
| C8 | O7 | P1 | O4 | 143.6° | 175.0° |
| C8 | O7 | P1 | O6 | 91.4° | 65.0° |
| O7 | C8 | H40 | H41 | 119.5° | 120.1° |
| O7 | C8 | C9 | H42 | 11.9° | 54.1° |
| O7 | P1 | O5 | O4 | 119.8° | 120.0° |
| O7 | P1 | O5 | O6 | 121.3° | 120.0° |
| O7 | P1 | O4 | O6 | 125.6° | 120.0° |
| O7 | P1 | O4 | P | 61.9° | 160.0° |
| P1 | O7 | C8 | H40 | 120.2° | 60.1° |
| P1 | O7 | C8 | H41 | 0.5° | 60.0° |
| O7 | P1 | O6 | H47 | 120.2° | 60.0° |
| O3 | P | O2 | O4 | 118.8° | 120.0° |
| O3 | P | O2 | O1 | 120.5° | 120.0° |
| O3 | P | O4 | P1 | 120.7° | 40.0° |
| O3 | P | O4 | O1 | 122.6° | 120.0° |
| O3 | P | O1 | C7 | 91.2° | 55.1° |
| O3 | P | O2 | H46 | 0.0° | 180.0° |
| O2 | P | O4 | P1 | 6.7° | 80.0° |
| O2 | P | O4 | O1 | 123.3° | 120.0° |
| O2 | P | O1 | C7 | 152.9° | 65.0° |
| O5 | P1 | O4 | O6 | 113.4° | 120.0° |
| O5 | P1 | O4 | P | 177.1° | 40.0° |
| O5 | P1 | O6 | H47 | 0.0° | 180.0° |
| P1 | O4 | P | O1 | 116.7° | 160.0° |
| O4 | P1 | O6 | H47 | 116.3° | 60.0° |
| O6 | P1 | O4 | P | 63.7° | 80.0° |
| O4 | P | O1 | C7 | 31.4° | 175.0° |
| O4 | P | O2 | H46 | 118.9° | 60.0° |
| P | O1 | C7 | C6 | 151.2° | 180.0° |
| P | O1 | C7 | H38 | 31.6° | 60.0° |
| P | O1 | C7 | H39 | 89.1° | 60.0° |
| O1 | P | O2 | H46 | 120.5° | 60.0° |
| O1 | C7 | C6 | H38 | 119.7° | 120.0° |
| O1 | C7 | C6 | H39 | 119.6° | 120.0° |
| O1 | C7 | C6 | C17 | 53.5° | 175.0° |
| O1 | C7 | C6 | O | 172.7° | 67.2° |
| O1 | C7 | C6 | H37 | 67.4° | 53.9° |
| O1 | C7 | H38 | H39 | 121.0° | 120.0° |
| C7 | C6 | C17 | O | 120.4° | 119.4° |
| C7 | C6 | C17 | H37 | 120.7° | 121.1° |
| C7 | C6 | O | H37 | 120.5° | 121.2° |
| C7 | C6 | C17 | C18 | 94.0° | 121.4° |
| C7 | C6 | C17 | O15 | 147.2° | 119.9° |
| C7 | C6 | O | C5 | 110.5° | 145.9° |
| C7 | C6 | C17 | H14 | 26.7° | 2.7° |
| C6 | C7 | H38 | H39 | 121.0° | 120.0° |
| C17 | C6 | O | H37 | 119.8° | 119.4° |
| C6 | C17 | C18 | O15 | 117.0° | 118.7° |
| C6 | C17 | C18 | H14 | 120.5° | 118.8° |
| C6 | C17 | O15 | H14 | 120.8° | 122.7° |
| C6 | C17 | C18 | O16 | 150.2° | 139.1° |
| C6 | C17 | C18 | C5 | 33.1° | 20.9° |
| C17 | C6 | O | C5 | 9.2° | 26.5° |
| C6 | C17 | C18 | H15 | 87.6° | 97.4° |
| C17 | C6 | C7 | H38 | 173.1° | 55.0° |
| C17 | C6 | C7 | H39 | 66.2° | 65.0° |
| C6 | C17 | O15 | H44 | 180.0° | 176.3° |
| O | C6 | C17 | C18 | 26.4° | 2.0° |
| O | C6 | C17 | O15 | 92.3° | 120.7° |
| C6 | O | C5 | C18 | 10.8° | 40.1° |
| C6 | O | C5 | N3 | 134.1° | 158.6° |
| O | C6 | C17 | H14 | 147.2° | 116.7° |
| C6 | O | C5 | H36 | 108.2° | 78.4° |
| O | C6 | C7 | H38 | 67.6° | 172.8° |
| O | C6 | C7 | H39 | 53.1° | 52.8° |
| C18 | C17 | O15 | H14 | 122.9° | 122.5° |
| C17 | C18 | O16 | C5 | 115.1° | 112.7° |
| C17 | C18 | O16 | H15 | 122.7° | 123.6° |
| C17 | C18 | C5 | H15 | 121.0° | 118.2° |
| C17 | C18 | C5 | O | 27.3° | 37.0° |
| C17 | C18 | C5 | N3 | 143.3° | 155.6° |
| C17 | C18 | C5 | H36 | 90.9° | 81.5° |
| C18 | C17 | C6 | H37 | 145.3° | 117.4° |
| C18 | C17 | O15 | H44 | 63.7° | 61.5° |
| C17 | C18 | O16 | H45 | 180.0° | 61.5° |
| O15 | C17 | C18 | O16 | 33.2° | 20.4° |
| O15 | C17 | C18 | C5 | 83.9° | 97.8° |
| O15 | C17 | C18 | H15 | 155.4° | 144.0° |
| O15 | C17 | C6 | H37 | 26.6° | 1.3° |
| O16 | C18 | C5 | H15 | 122.1° | 123.6° |
| O16 | C18 | C5 | O | 144.2° | 155.3° |
| O16 | C18 | C5 | N3 | 99.8° | 86.2° |
| O16 | C18 | C17 | H14 | 89.3° | 102.1° |
| O16 | C18 | C5 | H36 | 26.0° | 36.7° |
| C18 | C5 | N3 | C3 | 36.2° | 90.6° |
| C18 | C5 | O | N3 | 123.4° | 118.5° |
| C18 | C5 | O | H36 | 119.0° | 118.5° |
| C18 | C5 | N3 | H36 | 125.3° | 122.9° |
| C18 | C5 | N3 | C2 | 147.6° | 89.7° |
| C5 | C18 | C17 | H14 | 153.7° | 139.7° |
| C5 | C18 | O16 | H45 | 64.9° | 174.2° |
| N4 | C3 | N3 | H35 | 180.0° | 179.8° |
| N4 | C3 | N3 | C5 | 177.8° | 179.9° |
| N4 | C3 | N3 | C2 | 1.9° | 0.3° |
| C3 | N4 | C4 | C2 | 0.1° | 0.0° |
| C3 | N4 | C4 | C | 179.9° | 179.9° |
| C3 | N3 | C5 | O | 82.5° | 23.5° |
| N3 | C3 | N4 | C4 | 1.0° | 0.2° |
| C3 | N3 | C5 | C2 | 176.2° | 179.7° |
| C3 | N3 | C2 | C4 | 1.8° | 0.3° |
| C3 | N3 | C2 | N2 | 179.5° | 180.0° |
| C3 | N3 | C5 | H36 | 161.5° | 146.5° |
| O | C5 | N3 | H36 | 116.0° | 123.0° |
| O | C5 | N3 | C2 | 93.7° | 156.2° |
| O | C5 | C18 | H15 | 93.7° | 81.2° |
| C5 | O | C6 | H37 | 129.0° | 92.9° |
| N4 | C4 | C2 | N3 | 0.8° | 0.2° |
| N4 | C4 | C2 | C | 179.8° | 180.0° |
| N4 | C4 | C2 | N2 | 179.9° | 180.0° |
| N4 | C4 | C | N | 0.6° | 0.0° |
| N4 | C4 | C | N1 | 179.9° | 179.7° |
| C4 | N4 | C3 | H35 | 179.0° | 180.0° |
| C5 | N3 | C2 | C4 | 177.8° | 180.0° |
| C5 | N3 | C2 | N2 | 3.4° | 0.2° |
| N3 | C5 | C18 | H15 | 22.4° | 37.3° |
| C5 | N3 | C3 | H35 | 2.2° | 0.2° |
| N3 | C2 | C4 | N2 | 179.1° | 179.8° |
| N3 | C2 | C4 | C | 179.0° | 179.9° |
| N3 | C2 | N2 | C1 | 178.5° | 180.0° |
| C2 | N3 | C3 | H35 | 178.1° | 179.9° |
| C2 | N3 | C5 | H36 | 22.3° | 33.2° |
| C2 | C4 | C | N | 179.6° | 180.0° |
| C2 | C4 | C | N1 | 0.3° | 0.2° |
| C4 | C2 | N2 | C1 | 0.0° | 0.3° |
| C | C4 | C2 | N2 | 0.0° | 0.1° |
| C4 | C | N | N1 | 179.3° | 179.8° |
| C4 | C | N1 | C1 | 0.5° | 0.2° |
| C4 | C | N | H1 | 179.3° | 179.8° |
| C4 | C | N | H2 | 59.3° | 0.0° |
| C2 | N2 | C1 | N1 | 0.3° | 0.2° |
| C2 | N2 | C1 | H3 | 179.8° | 179.6° |
| N | C | N1 | C1 | 179.8° | 180.0° |
| C | N | H1 | H2 | 120.0° | 179.7° |
| C | N1 | C1 | N2 | 0.5° | 0.0° |
| N1 | C | N | H1 | 0.0° | 0.0° |
| N1 | C | N | H2 | 120.0° | 179.7° |
| C | N1 | C1 | H3 | 179.5° | 179.9° |
| N2 | C1 | N1 | H3 | 180.0° | 179.9° |
| H4 | C10 | C15 | H12 | 4.6° | 31.9° |
| H5 | C11 | C12 | H6 | 93.8° | 173.8° |
| H5 | C11 | C12 | H7 | 24.9° | 66.2° |
| H6 | C12 | C13 | H8 | 154.7° | 180.0° |
| H6 | C12 | C13 | H9 | 85.4° | 60.0° |
| H7 | C12 | C13 | H8 | 36.0° | 60.0° |
| H7 | C12 | C13 | H9 | 155.9° | 180.0° |
| H8 | C13 | C14 | H10 | 159.7° | 180.0° |
| H8 | C13 | C14 | H11 | 80.4° | 60.1° |
| H9 | C13 | C14 | H10 | 39.8° | 60.0° |
| H9 | C13 | C14 | H11 | 159.7° | 180.0° |
| H10 | C14 | C19 | H16 | 93.8° | 180.0° |
| H10 | C14 | C19 | H17 | 146.5° | 60.0° |
| H11 | C14 | C19 | H16 | 146.3° | 60.0° |
| H11 | C14 | C19 | H17 | 26.6° | 180.0° |
| H12 | C15 | C16 | H13 | 141.0° | 86.8° |
| H13 | C16 | C9 | H42 | 29.3° | 19.8° |
| H13 | C16 | O14 | H43 | 59.9° | 56.7° |
| H14 | C17 | C18 | H15 | 33.0° | 21.4° |
| H14 | C17 | C6 | H37 | 93.9° | 123.9° |
| H14 | C17 | O15 | H44 | 59.2° | 61.1° |
| H15 | C18 | C5 | H36 | 148.1° | 160.3° |
| H15 | C18 | O16 | H45 | 57.4° | 62.2° |
| H16 | C19 | C20 | H18 | 157.1° | 180.0° |
| H16 | C19 | C20 | H19 | 83.2° | 59.9° |
| H17 | C19 | C20 | H18 | 37.4° | 60.0° |
| H17 | C19 | C20 | H19 | 157.2° | 180.0° |
| H18 | C20 | C21 | H20 | 95.6° | 180.0° |
| H18 | C20 | C21 | H21 | 144.7° | 60.0° |
| H19 | C20 | C21 | H20 | 24.1° | 60.0° |
| H19 | C20 | C21 | H21 | 95.6° | 180.0° |
| H20 | C21 | C22 | H22 | 80.0° | 180.0° |
| H20 | C21 | C22 | H23 | 160.3° | 60.0° |
| H21 | C21 | C22 | H22 | 160.3° | 60.0° |
| H21 | C21 | C22 | H23 | 40.6° | 180.0° |
| H22 | C22 | C23 | H24 | 15.1° | 180.0° |
| H22 | C22 | C23 | H25 | 104.5° | 60.0° |
| H23 | C22 | C23 | H24 | 104.7° | 60.0° |
| H23 | C22 | C23 | H25 | 135.7° | 180.0° |
| H24 | C23 | C24 | H26 | 118.4° | 180.0° |
| H24 | C23 | C24 | H27 | 121.7° | 60.0° |
| H25 | C23 | C24 | H26 | 1.3° | 60.0° |
| H25 | C23 | C24 | H27 | 118.6° | 180.0° |
| H26 | C24 | C25 | H28 | 166.5° | NaN° |
| H26 | C24 | C25 | H29 | 73.5° | 60.0° |
| H27 | C24 | C25 | H28 | 46.6° | 60.0° |
| H27 | C24 | C25 | H29 | 166.6° | 180.0° |
| H28 | C25 | C26 | H30 | 83.4° | 180.0° |
| H28 | C25 | C26 | H31 | 156.9° | 59.9° |
| H29 | C25 | C26 | H30 | 36.6° | 59.9° |
| H29 | C25 | C26 | H31 | 83.1° | 180.0° |
| H30 | C26 | C27 | H32 | 59.9° | 180.0° |
| H30 | C26 | C27 | H33 | 179.9° | 60.0° |
| H30 | C26 | C27 | H34 | 60.2° | 60.0° |
| H31 | C26 | C27 | H32 | 59.9° | 60.0° |
| H31 | C26 | C27 | H33 | 60.1° | 180.0° |
| H31 | C26 | C27 | H34 | 179.9° | 60.0° |
| H32 | C27 | H33 | H34 | 120.0° | 120.0° |
| H37 | C6 | C7 | H38 | 52.3° | 66.1° |
| H37 | C6 | C7 | H39 | 173.0° | 173.9° |
| H40 | C8 | C9 | H42 | 132.1° | 174.1° |
| H41 | C8 | C9 | H42 | 108.2° | 65.9° |
