FJJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.45Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.51Å | 1.56Å | |
| C17 | N1 | doub | 1.30Å | 1.47Å | |
| N1 | C7 | sing | 1.35Å | 1.38Å | |
| C7 | O | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.51Å | 1.57Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| O32 | C3 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| OG3 | CG2 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| OG4 | CG3 | sing | 1.43Å | 1.40Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| N | C1 | sing | 1.47Å | 1.48Å | |
| N | C18 | sing | 1.35Å | 1.35Å | |
| CG3 | CG2 | sing | 1.53Å | 1.54Å | |
| CG3 | CG4 | sing | 1.53Å | 1.50Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| CG2 | CG1 | sing | 1.53Å | 1.51Å | |
| OC1 | CG1 | sing | 1.43Å | 1.45Å | |
| OC1 | C | sing | 1.43Å | 1.44Å | |
| C19 | C18 | sing | 1.51Å | 1.56Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | O2 | doub | 1.21Å | 1.23Å | |
| CG1 | OG | sing | 1.43Å | 1.44Å | |
| CG4 | OG5 | sing | 1.43Å | 1.43Å | |
| CG4 | CG | sing | 1.53Å | 1.51Å | |
| CG | OG | sing | 1.43Å | 1.46Å | |
| CG | CG5 | sing | 1.53Å | 1.51Å | |
| CG5 | OG6 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| N | H26 | sing | 0.97Å | 1.00Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| CG1 | H29 | sing | 1.09Å | 1.10Å | |
| CG | H30 | sing | 1.09Å | 1.10Å | |
| CG5 | H31 | sing | 1.09Å | 1.10Å | |
| CG5 | H32 | sing | 1.09Å | 1.10Å | |
| OG6 | H33 | sing | 0.97Å | 0.95Å | |
| CG4 | H34 | sing | 1.09Å | 1.10Å | |
| OG5 | H35 | sing | 0.97Å | 0.95Å | |
| CG3 | H36 | sing | 1.09Å | 1.10Å | |
| OG4 | H37 | sing | 0.97Å | 0.95Å | |
| CG2 | H38 | sing | 1.09Å | 1.10Å | |
| OG3 | H39 | sing | 0.97Å | 0.95Å | |
| O1 | H40 | sing | 0.97Å | 0.95Å | |
| O32 | H41 | sing | 0.97Å | 0.95Å | |
| C17 | H42 | sing | 1.08Å | 1.08Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| C15 | H45 | sing | 1.09Å | 1.10Å | |
| C15 | H46 | sing | 1.09Å | 1.10Å | |
| C14 | H47 | sing | 1.09Å | 1.10Å | |
| C14 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.08Å | 1.08Å | |
| C9 | H50 | sing | 1.08Å | 1.08Å | |
| C10 | H51 | sing | 1.08Å | 1.08Å | |
| C12 | H52 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 122.8° | 119.9° |
| C11 | C10 | C9 | 116.2° | 120.1° |
| C10 | C11 | H10 | 118.6° | 120.0° |
| C11 | C10 | H51 | 121.9° | 119.9° |
| C11 | C12 | C13 | 121.5° | 120.0° |
| C12 | C11 | H10 | 118.6° | 120.0° |
| C11 | C12 | H52 | 119.3° | 120.0° |
| C10 | C9 | C8 | 121.0° | 120.0° |
| C10 | C9 | H50 | 119.5° | 120.0° |
| C9 | C10 | H51 | 121.9° | 120.0° |
| C12 | C13 | C8 | 114.9° | 120.0° |
| C12 | C13 | C14 | 123.4° | 120.0° |
| C13 | C12 | H52 | 119.3° | 120.0° |
| C9 | C8 | C13 | 123.6° | 120.0° |
| C9 | C8 | H49 | 118.2° | 120.0° |
| C8 | C9 | H50 | 119.5° | 120.0° |
| C8 | C13 | C14 | 121.5° | 120.0° |
| C13 | C8 | H49 | 118.2° | 120.0° |
| C13 | C14 | C15 | 117.3° | 109.5° |
| C13 | C14 | H47 | 107.5° | 109.5° |
| C13 | C14 | H48 | 107.5° | 109.5° |
| C14 | C15 | C16 | 102.8° | 109.5° |
| C14 | C15 | H45 | 111.1° | 109.5° |
| C14 | C15 | H46 | 111.1° | 109.5° |
| C15 | C14 | H47 | 107.5° | 109.5° |
| C15 | C14 | H48 | 107.5° | 109.5° |
| C15 | C16 | C17 | 120.6° | 109.5° |
| C15 | C16 | H43 | 106.6° | 109.5° |
| C15 | C16 | H44 | 106.6° | 109.5° |
| C16 | C15 | H45 | 111.1° | 109.5° |
| C16 | C15 | H46 | 111.1° | 109.4° |
| C16 | C17 | N1 | 119.9° | 120.0° |
| C16 | C17 | H42 | 120.1° | 120.0° |
| C17 | C16 | H43 | 106.7° | 109.5° |
| C17 | C16 | H44 | 106.6° | 109.4° |
| C17 | N1 | C7 | 123.5° | 120.0° |
| N1 | C17 | H42 | 120.1° | 120.0° |
| N1 | C7 | O | 123.6° | 120.0° |
| N1 | C7 | C6 | 118.5° | 120.0° |
| O | C7 | C6 | 117.7° | 120.0° |
| C7 | C6 | C5 | 109.5° | 109.5° |
| C7 | C6 | H8 | 109.5° | 109.4° |
| C7 | C6 | H9 | 109.5° | 109.4° |
| C6 | C5 | C4 | 109.7° | 109.5° |
| C6 | C5 | H6 | 109.4° | 109.5° |
| C6 | C5 | H7 | 109.4° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| O32 | C3 | C4 | 108.3° | 109.5° |
| O32 | C3 | C2 | 105.8° | 109.5° |
| O32 | C3 | H3 | 109.2° | 109.5° |
| C3 | O32 | H41 | 109.5° | 114.0° |
| C5 | C4 | C3 | 102.9° | 109.5° |
| C5 | C4 | H4 | 111.1° | 109.4° |
| C5 | C4 | H5 | 111.1° | 109.5° |
| C4 | C5 | H6 | 109.4° | 109.4° |
| C4 | C5 | H7 | 109.4° | 109.5° |
| C4 | C3 | C2 | 117.7° | 109.4° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C3 | C4 | H4 | 111.1° | 109.5° |
| C3 | C4 | H5 | 111.1° | 109.5° |
| C3 | C2 | O1 | 109.7° | 109.5° |
| C3 | C2 | C1 | 115.0° | 109.5° |
| C3 | C2 | H2 | 107.2° | 109.5° |
| C2 | C3 | H3 | 107.7° | 109.5° |
| O1 | C2 | C1 | 108.9° | 109.4° |
| O1 | C2 | H2 | 108.7° | 109.5° |
| C2 | O1 | H40 | 109.5° | 114.1° |
| C2 | C1 | N | 111.5° | 109.5° |
| C2 | C1 | C | 111.3° | 109.5° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C1 | C2 | H2 | 107.3° | 109.5° |
| OG3 | CG2 | CG3 | 111.2° | 109.6° |
| OG3 | CG2 | CG1 | 108.8° | 109.6° |
| OG3 | CG2 | H38 | 109.9° | 109.6° |
| CG2 | OG3 | H39 | 109.5° | 114.0° |
| C24 | C23 | C22 | 106.3° | 109.5° |
| C23 | C24 | C25 | 105.1° | 109.5° |
| C23 | C24 | H14 | 110.6° | 109.5° |
| C23 | C24 | H15 | 110.6° | 109.5° |
| C24 | C23 | H16 | 110.3° | 109.5° |
| C24 | C23 | H17 | 110.3° | 109.5° |
| C23 | C22 | C21 | 104.3° | 109.5° |
| C22 | C23 | H16 | 110.2° | 109.5° |
| C22 | C23 | H17 | 110.2° | 109.5° |
| C23 | C22 | H18 | 110.8° | 109.5° |
| C23 | C22 | H19 | 110.8° | 109.5° |
| C24 | C25 | H11 | 109.5° | 109.5° |
| C24 | C25 | H12 | 109.4° | 109.5° |
| C24 | C25 | H13 | 109.5° | 109.5° |
| C25 | C24 | H14 | 110.6° | 109.5° |
| C25 | C24 | H15 | 110.5° | 109.4° |
| OG4 | CG3 | CG2 | 111.4° | 109.5° |
| OG4 | CG3 | CG4 | 106.8° | 109.5° |
| OG4 | CG3 | H36 | 110.6° | 109.6° |
| CG3 | OG4 | H37 | 109.5° | 114.0° |
| C22 | C21 | C20 | 105.5° | 109.5° |
| C21 | C22 | H18 | 110.7° | 109.5° |
| C21 | C22 | H19 | 110.8° | 109.5° |
| C22 | C21 | H20 | 110.4° | 109.5° |
| C22 | C21 | H21 | 110.5° | 109.5° |
| C21 | C20 | C19 | 107.2° | 109.5° |
| C20 | C21 | H20 | 110.4° | 109.5° |
| C20 | C21 | H21 | 110.4° | 109.5° |
| C21 | C20 | H22 | 110.0° | 109.5° |
| C21 | C20 | H23 | 110.0° | 109.4° |
| C1 | N | C18 | 121.2° | 120.0° |
| N | C1 | C | 106.2° | 109.5° |
| N | C1 | H1 | 109.7° | 109.4° |
| C1 | N | H26 | 119.4° | 120.0° |
| N | C18 | C19 | 116.7° | 120.0° |
| N | C18 | O2 | 122.6° | 120.0° |
| C18 | N | H26 | 119.4° | 120.0° |
| CG2 | CG3 | CG4 | 110.2° | 109.1° |
| CG3 | CG2 | CG1 | 109.4° | 109.2° |
| CG2 | CG3 | H36 | 108.7° | 109.5° |
| CG3 | CG2 | H38 | 108.6° | 109.5° |
| CG3 | CG4 | OG5 | 110.5° | 109.5° |
| CG3 | CG4 | CG | 109.6° | 109.1° |
| CG3 | CG4 | H34 | 109.0° | 109.6° |
| CG4 | CG3 | H36 | 109.2° | 109.5° |
| C1 | C | OC1 | 104.7° | 109.5° |
| C | C1 | H1 | 109.0° | 109.5° |
| C1 | C | H27 | 110.6° | 109.5° |
| C1 | C | H28 | 110.7° | 109.4° |
| CG2 | CG1 | OC1 | 108.3° | 109.4° |
| CG2 | CG1 | OG | 108.5° | 109.4° |
| CG2 | CG1 | H29 | 108.3° | 109.5° |
| CG1 | CG2 | H38 | 108.9° | 109.5° |
| CG1 | OC1 | C | 118.0° | 114.0° |
| OC1 | CG1 | OG | 113.3° | 109.5° |
| OC1 | CG1 | H29 | 109.1° | 109.5° |
| OC1 | C | H27 | 110.6° | 109.5° |
| OC1 | C | H28 | 110.6° | 109.5° |
| C18 | C19 | C20 | 110.3° | 109.5° |
| C19 | C18 | O2 | 120.7° | 120.0° |
| C18 | C19 | H24 | 109.3° | 109.5° |
| C18 | C19 | H25 | 109.2° | 109.5° |
| C19 | C20 | H22 | 110.1° | 109.5° |
| C19 | C20 | H23 | 110.0° | 109.5° |
| C20 | C19 | H24 | 109.2° | 109.5° |
| C20 | C19 | H25 | 109.3° | 109.5° |
| CG1 | OG | CG | 115.7° | 114.1° |
| OG | CG1 | H29 | 109.3° | 109.5° |
| OG5 | CG4 | CG | 108.9° | 109.5° |
| OG5 | CG4 | H34 | 110.0° | 109.5° |
| CG4 | OG5 | H35 | 109.5° | 114.0° |
| CG4 | CG | OG | 110.9° | 109.4° |
| CG4 | CG | CG5 | 108.3° | 109.5° |
| CG4 | CG | H30 | 110.3° | 109.5° |
| CG | CG4 | H34 | 108.9° | 109.5° |
| OG | CG | CG5 | 106.1° | 109.5° |
| OG | CG | H30 | 111.0° | 109.5° |
| CG | CG5 | OG6 | 102.4° | 109.5° |
| CG5 | CG | H30 | 110.2° | 109.4° |
| CG | CG5 | H31 | 111.2° | 109.5° |
| CG | CG5 | H32 | 111.2° | 109.4° |
| OG6 | CG5 | H31 | 111.2° | 109.5° |
| OG6 | CG5 | H32 | 111.2° | 109.5° |
| CG5 | OG6 | H33 | 109.5° | 114.0° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.4° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.5° | 109.5° |
| H11 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.4° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H27 | C | H28 | 109.5° | 109.4° |
| H31 | CG5 | H32 | 109.5° | 109.5° |
| H43 | C16 | H44 | 109.5° | 109.4° |
| H45 | C15 | H46 | 109.5° | 109.5° |
| H47 | C14 | H48 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H10 | 180.0° | 179.6° |
| C11 | C10 | C9 | H51 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.5° | 0.1° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C11 | C10 | C9 | H50 | 179.6° | 179.9° |
| C10 | C11 | C12 | H52 | 178.5° | 179.9° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| C11 | C12 | C13 | H52 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 2.7° | 0.0° |
| C11 | C12 | C13 | C14 | 178.0° | 180.0° |
| C12 | C11 | C10 | H51 | 179.9° | 180.0° |
| C10 | C9 | C8 | H50 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 1.0° | 0.0° |
| C9 | C10 | C11 | H10 | 179.9° | 179.7° |
| C10 | C9 | C8 | H49 | 179.0° | 180.0° |
| C12 | C13 | C8 | C9 | 2.5° | 0.0° |
| C12 | C13 | C8 | C14 | 175.4° | 180.0° |
| C12 | C13 | C14 | C15 | 122.7° | 90.0° |
| C13 | C12 | C11 | H10 | 178.5° | 179.7° |
| C12 | C13 | C14 | H47 | 1.6° | 150.0° |
| C12 | C13 | C14 | H48 | 116.2° | 30.1° |
| C12 | C13 | C8 | H49 | 177.5° | 180.0° |
| C9 | C8 | C13 | H49 | 180.0° | 180.0° |
| C9 | C8 | C13 | C14 | 177.9° | 180.0° |
| C8 | C9 | C10 | H51 | 179.6° | 180.0° |
| C8 | C13 | C14 | C15 | 62.3° | 90.0° |
| C8 | C13 | C14 | H47 | 176.6° | 30.0° |
| C8 | C13 | C14 | H48 | 58.8° | 150.0° |
| C13 | C8 | C9 | H50 | 179.0° | 180.0° |
| C8 | C13 | C12 | H52 | 177.3° | 180.0° |
| C13 | C14 | C15 | H47 | 121.1° | 120.0° |
| C13 | C14 | C15 | H48 | 121.1° | 120.0° |
| C13 | C14 | C15 | C16 | 172.9° | 180.0° |
| C13 | C14 | C15 | H45 | 54.0° | 60.1° |
| C13 | C14 | C15 | H46 | 68.1° | 60.0° |
| C13 | C14 | H47 | H48 | 116.5° | 120.0° |
| C14 | C13 | C8 | H49 | 2.1° | 0.0° |
| C14 | C13 | C12 | H52 | 2.0° | 0.0° |
| C14 | C15 | C16 | H45 | 118.9° | 120.0° |
| C14 | C15 | C16 | H46 | 118.9° | 120.0° |
| C14 | C15 | C16 | C17 | 174.7° | 180.0° |
| C14 | C15 | C16 | H43 | 63.8° | 60.0° |
| C14 | C15 | C16 | H44 | 53.1° | 60.0° |
| C14 | C15 | H45 | H46 | 123.1° | 120.1° |
| C15 | C14 | H47 | H48 | 116.5° | 120.0° |
| C15 | C16 | C17 | H43 | 121.5° | 120.1° |
| C15 | C16 | C17 | H44 | 121.5° | 120.0° |
| C15 | C16 | C17 | N1 | 26.6° | 124.9° |
| C15 | C16 | C17 | H42 | 153.4° | 55.0° |
| C15 | C16 | H43 | H44 | 115.0° | 120.0° |
| C16 | C15 | H45 | H46 | 123.1° | 120.0° |
| C16 | C15 | C14 | H47 | 65.9° | 60.0° |
| C16 | C15 | C14 | H48 | 51.8° | 60.0° |
| C16 | C17 | N1 | H42 | 180.0° | 179.9° |
| C16 | C17 | N1 | C7 | 161.6° | 180.0° |
| C17 | C16 | H43 | H44 | 115.0° | 119.9° |
| C17 | C16 | C15 | H45 | 55.8° | 60.0° |
| C17 | C16 | C15 | H46 | 66.4° | 60.0° |
| C17 | N1 | C7 | O | 8.7° | 0.0° |
| C17 | N1 | C7 | C6 | 176.8° | 180.0° |
| N1 | C17 | C16 | H43 | 148.1° | 115.0° |
| N1 | C17 | C16 | H44 | 94.9° | 4.9° |
| N1 | C7 | O | C6 | 174.6° | 180.0° |
| N1 | C7 | C6 | C5 | 111.2° | 180.0° |
| N1 | C7 | C6 | H8 | 8.8° | 60.0° |
| N1 | C7 | C6 | H9 | 128.8° | 60.0° |
| C7 | N1 | C17 | H42 | 18.4° | 0.1° |
| O | C7 | C6 | C5 | 74.0° | 0.0° |
| O | C7 | C6 | H8 | 166.0° | 120.0° |
| O | C7 | C6 | H9 | 46.0° | 120.0° |
| C7 | C6 | C5 | H8 | 120.0° | 120.0° |
| C7 | C6 | C5 | H9 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 178.8° | 180.0° |
| C7 | C6 | C5 | H6 | 58.7° | 60.0° |
| C7 | C6 | C5 | H7 | 61.2° | 60.0° |
| C7 | C6 | H8 | H9 | 120.0° | 119.9° |
| C6 | C5 | C4 | H6 | 120.1° | 120.0° |
| C6 | C5 | C4 | H7 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 147.0° | 180.0° |
| C6 | C5 | C4 | H4 | 28.0° | 60.0° |
| C6 | C5 | C4 | H5 | 94.1° | 60.0° |
| C6 | C5 | H6 | H7 | 119.9° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| O32 | C3 | C4 | C5 | 75.6° | 65.0° |
| O32 | C3 | C4 | C2 | 119.8° | 119.9° |
| O32 | C3 | C4 | H3 | 118.1° | 120.0° |
| O32 | C3 | C2 | H3 | 116.7° | 120.0° |
| O32 | C3 | C2 | O1 | 55.8° | NaN° |
| O32 | C3 | C2 | C1 | 178.8° | 60.1° |
| O32 | C3 | C2 | H2 | 62.1° | 60.0° |
| O32 | C3 | C4 | H4 | 43.3° | 175.0° |
| O32 | C3 | C4 | H5 | 165.5° | 54.9° |
| C5 | C4 | C3 | H4 | 118.9° | 119.9° |
| C5 | C4 | C3 | H5 | 118.9° | 120.0° |
| C5 | C4 | C3 | C2 | 164.6° | 175.0° |
| C5 | C4 | C3 | H3 | 42.5° | 55.0° |
| C5 | C4 | H4 | H5 | 123.0° | 120.0° |
| C4 | C5 | H6 | H7 | 119.9° | 120.0° |
| C4 | C5 | C6 | H8 | 61.2° | 60.0° |
| C4 | C5 | C6 | H9 | 58.8° | 60.0° |
| C4 | C3 | C2 | H3 | 122.1° | 120.0° |
| C4 | C3 | C2 | O1 | 65.4° | 60.0° |
| C4 | C3 | C2 | C1 | 57.7° | 180.0° |
| C4 | C3 | C2 | H2 | 176.8° | 60.0° |
| C3 | C4 | H4 | H5 | 123.1° | 120.1° |
| C3 | C4 | C5 | H6 | 92.9° | 60.0° |
| C3 | C4 | C5 | H7 | 26.9° | 59.9° |
| C4 | C3 | O32 | H41 | 180.0° | 60.0° |
| C3 | C2 | O1 | C1 | 126.6° | 120.0° |
| C3 | C2 | O1 | H2 | 116.9° | 120.1° |
| C3 | C2 | C1 | H2 | 119.0° | 120.0° |
| C3 | C2 | C1 | N | 56.6° | 65.5° |
| C3 | C2 | C1 | C | 175.1° | 174.5° |
| C3 | C2 | C1 | H1 | 64.7° | 54.4° |
| C2 | C3 | C4 | H4 | 76.5° | 55.1° |
| C2 | C3 | C4 | H5 | 45.7° | 65.0° |
| C3 | C2 | O1 | H40 | 180.0° | 64.9° |
| C2 | C3 | O32 | H41 | 53.0° | 60.0° |
| O1 | C2 | C1 | H2 | 117.5° | 120.0° |
| O1 | C2 | C1 | N | 179.9° | 174.5° |
| O1 | C2 | C1 | C | 61.4° | 54.5° |
| O1 | C2 | C1 | H1 | 58.8° | 65.5° |
| O1 | C2 | C3 | H3 | 172.5° | 60.0° |
| C2 | C1 | N | C | 121.5° | 120.0° |
| C2 | C1 | N | H1 | 120.8° | 120.0° |
| C2 | C1 | N | C18 | 158.9° | 155.0° |
| C2 | C1 | C | H1 | 120.2° | 120.0° |
| C2 | C1 | C | OC1 | 57.9° | 55.5° |
| C1 | C2 | C3 | H3 | 64.5° | 60.0° |
| C2 | C1 | N | H26 | 21.1° | 25.0° |
| C2 | C1 | C | H27 | 61.4° | 64.5° |
| C2 | C1 | C | H28 | 177.1° | 175.5° |
| C1 | C2 | O1 | H40 | 53.4° | 55.0° |
| OG3 | CG2 | CG3 | OG4 | 62.7° | 63.2° |
| OG3 | CG2 | CG3 | CG1 | 120.2° | 120.0° |
| OG3 | CG2 | CG3 | H38 | 121.1° | 120.2° |
| OG3 | CG2 | CG3 | CG4 | 178.9° | 176.9° |
| OG3 | CG2 | CG1 | H38 | 119.8° | 120.2° |
| OG3 | CG2 | CG1 | OC1 | 55.5° | 57.5° |
| OG3 | CG2 | CG1 | OG | 178.8° | 177.5° |
| OG3 | CG2 | CG1 | H29 | 62.6° | 62.4° |
| OG3 | CG2 | CG3 | H36 | 59.3° | 57.0° |
| C24 | C23 | C22 | H16 | 119.5° | 120.0° |
| C24 | C23 | C22 | H17 | 119.5° | 120.0° |
| C23 | C24 | C25 | H14 | 119.3° | 120.0° |
| C23 | C24 | C25 | H15 | 119.3° | 120.0° |
| C24 | C23 | C22 | C21 | 171.5° | 180.0° |
| C23 | C24 | C25 | H11 | 180.0° | 180.0° |
| C23 | C24 | C25 | H12 | 60.0° | 60.0° |
| C23 | C24 | C25 | H13 | 60.0° | 60.0° |
| C23 | C24 | H14 | H15 | 122.0° | 120.0° |
| C24 | C23 | H16 | H17 | 121.5° | 120.0° |
| C24 | C23 | C22 | H18 | 69.4° | 60.0° |
| C24 | C23 | C22 | H19 | 52.3° | 60.0° |
| C22 | C23 | C24 | C25 | 127.9° | 180.0° |
| C23 | C22 | C21 | H18 | 119.2° | 120.0° |
| C23 | C22 | C21 | H19 | 119.2° | 120.0° |
| C23 | C22 | C21 | C20 | 174.3° | 180.0° |
| C22 | C23 | C24 | H14 | 112.8° | 60.0° |
| C22 | C23 | C24 | H15 | 8.6° | 60.1° |
| C22 | C23 | H16 | H17 | 121.5° | 120.0° |
| C23 | C22 | H18 | H19 | 122.4° | 120.0° |
| C23 | C22 | C21 | H20 | 66.4° | 60.0° |
| C23 | C22 | C21 | H21 | 54.9° | 60.0° |
| C24 | C25 | H11 | H12 | 120.0° | 120.0° |
| C24 | C25 | H11 | H13 | 120.0° | 120.0° |
| C24 | C25 | H12 | H13 | 120.0° | 120.0° |
| C25 | C24 | H14 | H15 | 122.0° | 120.0° |
| C25 | C24 | C23 | H16 | 112.6° | 60.0° |
| C25 | C24 | C23 | H17 | 8.4° | 60.0° |
| OG4 | CG3 | CG2 | CG4 | 118.3° | 119.9° |
| OG4 | CG3 | CG2 | H36 | 122.0° | 120.2° |
| OG4 | CG3 | CG4 | H36 | 119.6° | 120.2° |
| OG4 | CG3 | CG2 | CG1 | 177.1° | 176.8° |
| OG4 | CG3 | CG4 | OG5 | 57.5° | 56.9° |
| OG4 | CG3 | CG4 | CG | 177.5° | 176.8° |
| OG4 | CG3 | CG4 | H34 | 63.5° | 63.2° |
| OG4 | CG3 | CG2 | H38 | 58.4° | 57.0° |
| C22 | C21 | C20 | H20 | 119.4° | 120.0° |
| C22 | C21 | C20 | H21 | 119.4° | 120.0° |
| C22 | C21 | C20 | C19 | 176.7° | 180.0° |
| C21 | C22 | C23 | H16 | 52.0° | 60.0° |
| C21 | C22 | C23 | H17 | 69.0° | 60.0° |
| C21 | C22 | H18 | H19 | 122.4° | 120.0° |
| C22 | C21 | H20 | H21 | 121.8° | 120.0° |
| C22 | C21 | C20 | H22 | 63.6° | 60.0° |
| C22 | C21 | C20 | H23 | 57.1° | 60.0° |
| C21 | C20 | C19 | C18 | 79.3° | 180.0° |
| C21 | C20 | C19 | H22 | 119.6° | 120.0° |
| C21 | C20 | C19 | H23 | 119.6° | 119.9° |
| C20 | C21 | C22 | H18 | 55.1° | 60.0° |
| C20 | C21 | C22 | H19 | 66.6° | 60.0° |
| C20 | C21 | H20 | H21 | 121.8° | 120.0° |
| C21 | C20 | H22 | H23 | 121.1° | 120.0° |
| C21 | C20 | C19 | H24 | 40.8° | 60.0° |
| C21 | C20 | C19 | H25 | 160.5° | 60.0° |
| C1 | N | C18 | H26 | 180.0° | 180.0° |
| N | C1 | C | H1 | 118.2° | 120.0° |
| N | C1 | C | OC1 | 63.7° | 64.5° |
| C1 | N | C18 | C19 | 178.0° | 180.0° |
| C1 | N | C18 | O2 | 0.9° | 0.0° |
| N | C1 | C2 | H2 | 62.4° | 54.5° |
| N | C1 | C | H27 | 177.0° | 175.5° |
| N | C1 | C | H28 | 55.5° | 55.5° |
| C18 | N | C1 | C | 79.6° | 85.0° |
| N | C18 | C19 | O2 | 177.1° | 180.0° |
| N | C18 | C19 | C20 | 137.4° | 180.0° |
| C18 | N | C1 | H1 | 38.1° | 35.0° |
| N | C18 | C19 | H24 | 17.3° | 60.0° |
| N | C18 | C19 | H25 | 102.5° | 60.0° |
| CG2 | CG3 | CG4 | H36 | 119.3° | 119.9° |
| CG3 | CG2 | CG1 | H38 | 118.5° | 119.8° |
| CG3 | CG2 | CG1 | OC1 | 66.1° | 62.4° |
| CG3 | CG2 | CG1 | OG | 57.2° | 57.6° |
| CG2 | CG3 | CG4 | OG5 | 63.6° | 62.9° |
| CG2 | CG3 | CG4 | CG | 56.3° | 57.0° |
| CG3 | CG2 | CG1 | H29 | 175.7° | 177.6° |
| CG2 | CG3 | CG4 | H34 | 175.4° | 176.9° |
| CG2 | CG3 | OG4 | H37 | 180.0° | 60.0° |
| CG3 | CG2 | OG3 | H39 | 180.0° | 180.0° |
| CG4 | CG3 | CG2 | CG1 | 58.8° | 56.9° |
| CG3 | CG4 | OG5 | CG | 120.4° | 119.7° |
| CG3 | CG4 | OG5 | H34 | 120.4° | 120.3° |
| CG3 | CG4 | CG | H34 | 119.2° | 120.0° |
| CG3 | CG4 | CG | OG | 53.7° | 57.6° |
| CG3 | CG4 | CG | CG5 | 169.8° | 177.6° |
| CG3 | CG4 | CG | H30 | 69.6° | 62.4° |
| CG3 | CG4 | OG5 | H35 | 180.0° | 60.4° |
| CG4 | CG3 | OG4 | H37 | 59.6° | 179.6° |
| CG4 | CG3 | CG2 | H38 | 60.0° | 62.9° |
| C1 | C | OC1 | CG1 | 171.4° | 180.0° |
| C1 | C | OC1 | H27 | 119.2° | 120.0° |
| C1 | C | OC1 | H28 | 119.3° | 120.0° |
| C | C1 | C2 | H2 | 56.1° | 65.5° |
| C | C1 | N | H26 | 100.4° | 95.0° |
| C1 | C | H27 | H28 | 122.2° | 119.9° |
| CG2 | CG1 | OC1 | OG | 120.4° | 119.9° |
| CG2 | CG1 | OC1 | H29 | 117.7° | 120.0° |
| CG2 | CG1 | OC1 | C | 172.2° | 170.0° |
| CG2 | CG1 | OG | H29 | 117.9° | 120.0° |
| CG2 | CG1 | OG | CG | 58.0° | 61.2° |
| CG1 | CG2 | CG3 | H36 | 60.8° | 63.0° |
| CG1 | CG2 | OG3 | H39 | 59.4° | 60.3° |
| OC1 | CG1 | OG | H29 | 121.8° | 120.0° |
| OC1 | CG1 | OG | CG | 62.3° | 58.8° |
| CG1 | OC1 | C | H27 | 52.2° | 60.0° |
| CG1 | OC1 | C | H28 | 69.3° | 60.0° |
| OC1 | CG1 | CG2 | H38 | 175.3° | 177.7° |
| C | OC1 | CG1 | OG | 67.4° | 70.0° |
| OC1 | C | C1 | H1 | 178.1° | 175.6° |
| OC1 | C | H27 | H28 | 122.2° | 120.0° |
| C | OC1 | CG1 | H29 | 54.5° | 50.0° |
| C18 | C19 | C20 | H24 | 120.1° | 120.0° |
| C18 | C19 | C20 | H25 | 120.1° | 120.0° |
| C18 | C19 | C20 | H22 | 40.3° | 60.0° |
| C18 | C19 | C20 | H23 | 161.0° | 60.1° |
| C18 | C19 | H24 | H25 | 119.6° | 120.0° |
| C19 | C18 | N | H26 | 2.0° | 0.0° |
| C20 | C19 | C18 | O2 | 45.5° | 0.0° |
| C19 | C20 | C21 | H20 | 57.4° | 60.0° |
| C19 | C20 | C21 | H21 | 63.9° | 60.0° |
| C19 | C20 | H22 | H23 | 121.1° | 120.0° |
| C20 | C19 | H24 | H25 | 119.6° | 120.0° |
| O2 | C18 | C19 | H24 | 165.6° | 120.0° |
| O2 | C18 | C19 | H25 | 74.6° | 120.0° |
| O2 | C18 | N | H26 | 179.1° | 180.0° |
| CG1 | OG | CG | CG4 | 56.6° | 61.2° |
| CG1 | OG | CG | CG5 | 174.0° | 178.8° |
| CG1 | OG | CG | H30 | 66.3° | 58.9° |
| OG | CG1 | CG2 | H38 | 61.3° | 62.3° |
| OG5 | CG4 | CG | H34 | 119.9° | 120.1° |
| OG5 | CG4 | CG | OG | 67.2° | 62.3° |
| OG5 | CG4 | CG | CG5 | 48.8° | 57.7° |
| OG5 | CG4 | CG | H30 | 169.5° | 177.7° |
| OG5 | CG4 | CG3 | H36 | 177.1° | 177.2° |
| CG4 | CG | OG | CG5 | 117.4° | 120.0° |
| CG4 | CG | OG | H30 | 122.9° | 120.1° |
| CG4 | CG | CG5 | H30 | 120.7° | 120.1° |
| CG4 | CG | CG5 | OG6 | 154.6° | 175.1° |
| CG4 | CG | CG5 | H31 | 35.8° | 55.1° |
| CG4 | CG | CG5 | H32 | 86.5° | 65.0° |
| CG | CG4 | OG5 | H35 | 59.6° | 179.9° |
| CG | CG4 | CG3 | H36 | 63.0° | 62.9° |
| OG | CG | CG5 | H30 | 120.2° | 120.0° |
| OG | CG | CG5 | OG6 | 86.3° | 65.0° |
| CG | OG | CG1 | H29 | 175.9° | 178.8° |
| OG | CG | CG5 | H31 | 154.9° | 175.0° |
| OG | CG | CG5 | H32 | 32.6° | 55.0° |
| OG | CG | CG4 | H34 | 172.9° | 177.6° |
| CG | CG5 | OG6 | H31 | 118.8° | 120.0° |
| CG | CG5 | OG6 | H32 | 118.9° | 119.9° |
| CG | CG5 | H31 | H32 | 123.3° | 120.0° |
| CG | CG5 | OG6 | H33 | 180.0° | 180.0° |
| CG5 | CG | CG4 | H34 | 71.1° | 62.4° |
| OG6 | CG5 | CG | H30 | 33.9° | 55.0° |
| OG6 | CG5 | H31 | H32 | 123.3° | 120.0° |
| H1 | C1 | C2 | H2 | 176.3° | 174.5° |
| H1 | C1 | N | H26 | 141.9° | 145.0° |
| H1 | C1 | C | H27 | 58.9° | 55.5° |
| H1 | C1 | C | H28 | 62.7° | 64.4° |
| H2 | C2 | C3 | H3 | 54.6° | 180.0° |
| H2 | C2 | O1 | H40 | 63.1° | 175.0° |
| H3 | C3 | C4 | H4 | 161.4° | 64.9° |
| H3 | C3 | C4 | H5 | 76.4° | 175.0° |
| H3 | C3 | O32 | H41 | 62.7° | 180.0° |
| H4 | C4 | C5 | H6 | 148.1° | 179.9° |
| H4 | C4 | C5 | H7 | 92.0° | 60.0° |
| H5 | C4 | C5 | H6 | 26.0° | 60.0° |
| H5 | C4 | C5 | H7 | 145.9° | 180.0° |
| H6 | C5 | C6 | H8 | 178.7° | 180.0° |
| H6 | C5 | C6 | H9 | 61.3° | 60.0° |
| H7 | C5 | C6 | H8 | 58.8° | 60.0° |
| H7 | C5 | C6 | H9 | 178.8° | 179.9° |
| H10 | C11 | C10 | H51 | 0.1° | 0.4° |
| H10 | C11 | C12 | H52 | 1.5° | 0.3° |
| H11 | C25 | H12 | H13 | 120.0° | 120.0° |
| H11 | C25 | C24 | H14 | 60.7° | 60.0° |
| H11 | C25 | C24 | H15 | 60.7° | 60.0° |
| H12 | C25 | C24 | H14 | 179.3° | 60.0° |
| H12 | C25 | C24 | H15 | 59.3° | 180.0° |
| H13 | C25 | C24 | H14 | 59.4° | 180.0° |
| H13 | C25 | C24 | H15 | 179.3° | 60.0° |
| H14 | C24 | C23 | H16 | 6.7° | 180.0° |
| H14 | C24 | C23 | H17 | 127.7° | 60.0° |
| H15 | C24 | C23 | H16 | 128.1° | 60.0° |
| H15 | C24 | C23 | H17 | 110.9° | 179.9° |
| H16 | C23 | C22 | H18 | 171.1° | 180.0° |
| H16 | C23 | C22 | H19 | 67.2° | 60.0° |
| H17 | C23 | C22 | H18 | 50.1° | 60.0° |
| H17 | C23 | C22 | H19 | 171.8° | 180.0° |
| H18 | C22 | C21 | H20 | 174.5° | 180.0° |
| H18 | C22 | C21 | H21 | 64.3° | 60.0° |
| H19 | C22 | C21 | H20 | 52.8° | 60.0° |
| H19 | C22 | C21 | H21 | 174.1° | 180.0° |
| H20 | C21 | C20 | H22 | 177.0° | 180.0° |
| H20 | C21 | C20 | H23 | 62.3° | 60.0° |
| H21 | C21 | C20 | H22 | 55.8° | 60.0° |
| H21 | C21 | C20 | H23 | 176.5° | 180.0° |
| H22 | C20 | C19 | H24 | 160.4° | 180.0° |
| H22 | C20 | C19 | H25 | 79.8° | 60.0° |
| H23 | C20 | C19 | H24 | 78.9° | 60.0° |
| H23 | C20 | C19 | H25 | 40.9° | 179.9° |
| H29 | CG1 | CG2 | H38 | 57.2° | 57.7° |
| H30 | CG | CG5 | H31 | 84.9° | 65.0° |
| H30 | CG | CG5 | H32 | 152.8° | 175.0° |
| H30 | CG | CG4 | H34 | 49.6° | 57.6° |
| H31 | CG5 | OG6 | H33 | 61.2° | 60.0° |
| H32 | CG5 | OG6 | H33 | 61.1° | 60.0° |
| H34 | CG4 | OG5 | H35 | 59.6° | 59.9° |
| H34 | CG4 | CG3 | H36 | 56.1° | 57.0° |
| H36 | CG3 | OG4 | H37 | 59.1° | 60.2° |
| H36 | CG3 | CG2 | H38 | 179.6° | 177.2° |
| H38 | CG2 | OG3 | H39 | 59.8° | 59.8° |
| H42 | C17 | C16 | H43 | 31.8° | 65.1° |
| H42 | C17 | C16 | H44 | 85.1° | 175.0° |
| H43 | C16 | C15 | H45 | 177.3° | 180.0° |
| H43 | C16 | C15 | H46 | 55.2° | 60.0° |
| H44 | C16 | C15 | H45 | 65.8° | 60.0° |
| H44 | C16 | C15 | H46 | 172.0° | 180.0° |
| H45 | C15 | C14 | H47 | 175.1° | 179.9° |
| H45 | C15 | C14 | H48 | 67.1° | 60.0° |
| H46 | C15 | C14 | H47 | 53.0° | 60.0° |
| H46 | C15 | C14 | H48 | 170.8° | 180.0° |
| H49 | C8 | C9 | H50 | 1.0° | 0.0° |
| H50 | C9 | C10 | H51 | 0.4° | 0.0° |
