G5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| O15 | C17 | sing | 1.43Å | 1.43Å | |
| O20 | C13 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | O17 | sing | 1.43Å | 1.42Å | |
| O5 | C6 | sing | 1.43Å | 1.44Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C14 | O18 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| O9 | C16 | sing | 1.43Å | 1.46Å | |
| O9 | P2 | sing | 1.61Å | 1.62Å | |
| O19 | C15 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C8 | O6 | sing | 1.43Å | 1.45Å | |
| C5 | O1 | sing | 1.43Å | 1.43Å | |
| C5 | C1 | sing | 1.53Å | 1.52Å | |
| O8 | C12 | sing | 1.43Å | 1.44Å | |
| O8 | P1 | sing | 1.61Å | 1.61Å | |
| O24 | P2 | doub | 1.48Å | 1.52Å | |
| C22 | C15 | sing | 1.53Å | 1.52Å | |
| C22 | O14 | sing | 1.43Å | 1.43Å | |
| O4 | C1 | sing | 1.43Å | 1.43Å | |
| O11 | C9 | sing | 1.43Å | 1.41Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | O2 | sing | 1.43Å | 1.44Å | |
| O23 | P1 | doub | 1.48Å | 1.51Å | |
| O1 | C4 | sing | 1.43Å | 1.41Å | |
| C4 | O2 | sing | 1.43Å | 1.38Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| P2 | O6 | sing | 1.61Å | 1.59Å | |
| P2 | O22 | sing | 1.61Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C11 | O7 | sing | 1.43Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| P1 | O7 | sing | 1.61Å | 1.62Å | |
| P1 | O21 | sing | 1.61Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C20 | sing | 1.35Å | 1.34Å | |
| C10 | O12 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | O10 | doub | 1.21Å | 1.23Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| O14 | H15 | sing | 0.97Å | 0.95Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| O21 | H24 | sing | 0.97Å | 0.95Å | |
| O22 | H25 | sing | 0.97Å | 0.95Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å | |
| O4 | H30 | sing | 0.97Å | 0.95Å | |
| O5 | H31 | sing | 0.97Å | 0.95Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| O11 | H37 | sing | 0.97Å | 0.95Å | |
| O12 | H38 | sing | 0.97Å | 0.95Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| O15 | H41 | sing | 0.97Å | 0.95Å | |
| O17 | H42 | sing | 0.97Å | 0.95Å | |
| O18 | H43 | sing | 0.97Å | 0.95Å | |
| O19 | H44 | sing | 0.97Å | 0.95Å | |
| O20 | H45 | sing | 0.97Å | 0.95Å | |
| C23 | C19 | sing | 1.53Å | 72.16Å | |
| O13 | C19 | sing | 1.43Å | 72.16Å | |
| O16 | C23 | sing | 1.43Å | 0.00Å | |
| C23 | H22 | sing | 1.09Å | 0.00Å | |
| C23 | H23 | sing | 1.09Å | 0.00Å | |
| O13 | H46 | sing | 0.97Å | 0.00Å | |
| O16 | H47 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 114.6° | 109.4° |
| C19 | C18 | O17 | 108.1° | 109.5° |
| C19 | C18 | H20 | 107.8° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C18 | C19 | C23 | 25.4° | 109.4° |
| C18 | C19 | O13 | 25.4° | 109.5° |
| O15 | C17 | C18 | 108.5° | 109.5° |
| O15 | C17 | C16 | 110.2° | 109.5° |
| O15 | C17 | H19 | 108.7° | 109.5° |
| C17 | O15 | H41 | 109.5° | 114.0° |
| O20 | C13 | C14 | 109.8° | 109.5° |
| O20 | C13 | C12 | 110.4° | 109.5° |
| O20 | C13 | H32 | 109.4° | 109.5° |
| C13 | O20 | H45 | 109.5° | 114.0° |
| C17 | C18 | O17 | 109.3° | 109.5° |
| C18 | C17 | C16 | 114.4° | 109.4° |
| C18 | C17 | H19 | 107.4° | 109.5° |
| C17 | C18 | H20 | 107.8° | 109.5° |
| O17 | C18 | H20 | 109.2° | 109.5° |
| C18 | O17 | H42 | 109.5° | 114.0° |
| O5 | C6 | C5 | 110.7° | 109.5° |
| O5 | C6 | H4 | 109.2° | 109.5° |
| O5 | C6 | H5 | 109.2° | 109.5° |
| C6 | O5 | H31 | 109.5° | 114.0° |
| C17 | C16 | O9 | 114.8° | 109.5° |
| C17 | C16 | H17 | 108.1° | 109.4° |
| C17 | C16 | H18 | 108.1° | 109.5° |
| C16 | C17 | H19 | 107.5° | 109.5° |
| C14 | C13 | C12 | 110.7° | 109.4° |
| C13 | C14 | O18 | 107.5° | 109.5° |
| C13 | C14 | C15 | 113.6° | 109.5° |
| C14 | C13 | H32 | 108.1° | 109.5° |
| C13 | C14 | H33 | 107.9° | 109.5° |
| C13 | C12 | O8 | 107.9° | 109.4° |
| C13 | C12 | H13 | 109.9° | 109.5° |
| C13 | C12 | H14 | 109.9° | 109.5° |
| C12 | C13 | H32 | 108.4° | 109.5° |
| O18 | C14 | C15 | 110.8° | 109.5° |
| O18 | C14 | H33 | 109.1° | 109.5° |
| C14 | O18 | H43 | 109.5° | 114.0° |
| C14 | C15 | O19 | 110.2° | 109.5° |
| C14 | C15 | C22 | 112.6° | 109.5° |
| C14 | C15 | H16 | 107.6° | 109.5° |
| C15 | C14 | H33 | 107.8° | 109.5° |
| C6 | C5 | O1 | 105.8° | 109.5° |
| C6 | C5 | C1 | 112.8° | 109.5° |
| C6 | C5 | H3 | 109.4° | 109.5° |
| C5 | C6 | H4 | 109.2° | 109.4° |
| C5 | C6 | H5 | 109.2° | 109.5° |
| C16 | O9 | P2 | 121.4° | 123.0° |
| O9 | C16 | H17 | 108.1° | 109.5° |
| O9 | C16 | H18 | 108.1° | 109.5° |
| O9 | P2 | O24 | 101.2° | 109.5° |
| O9 | P2 | O6 | 102.7° | 109.4° |
| O9 | P2 | O22 | 111.9° | 109.4° |
| O19 | C15 | C22 | 109.6° | 109.5° |
| O19 | C15 | H16 | 108.9° | 109.5° |
| C15 | O19 | H44 | 109.5° | 114.0° |
| C7 | C8 | O6 | 107.5° | 109.5° |
| C8 | C7 | C9 | 112.9° | 109.5° |
| C8 | C7 | O2 | 108.5° | 109.4° |
| C8 | C7 | H6 | 109.2° | 109.5° |
| C7 | C8 | H7 | 110.0° | 109.5° |
| C7 | C8 | H8 | 110.0° | 109.4° |
| C8 | O6 | P2 | 121.3° | 122.9° |
| O6 | C8 | H7 | 110.0° | 109.5° |
| O6 | C8 | H8 | 110.0° | 109.5° |
| O1 | C5 | C1 | 109.1° | 109.4° |
| C5 | O1 | C4 | 111.2° | 114.1° |
| O1 | C5 | H3 | 110.5° | 109.4° |
| C5 | C1 | O4 | 110.3° | 109.5° |
| C5 | C1 | C2 | 110.0° | 109.2° |
| C1 | C5 | H3 | 109.2° | 109.5° |
| C5 | C1 | H26 | 108.0° | 109.5° |
| C12 | O8 | P1 | 118.5° | 123.0° |
| O8 | C12 | H13 | 109.9° | 109.4° |
| O8 | C12 | H14 | 109.9° | 109.5° |
| O8 | P1 | O23 | 106.2° | 109.5° |
| O8 | P1 | O7 | 104.2° | 109.5° |
| O8 | P1 | O21 | 109.5° | 109.5° |
| O24 | P2 | O6 | 109.6° | 109.5° |
| O24 | P2 | O22 | 120.0° | 109.5° |
| C15 | C22 | O14 | 111.3° | 109.5° |
| C22 | C15 | H16 | 107.8° | 109.5° |
| C15 | C22 | H39 | 109.0° | 109.5° |
| C15 | C22 | H40 | 109.0° | 109.5° |
| C22 | O14 | H15 | 109.5° | 114.0° |
| O14 | C22 | H39 | 109.0° | 109.5° |
| O14 | C22 | H40 | 109.0° | 109.5° |
| O4 | C1 | C2 | 110.9° | 109.5° |
| O4 | C1 | H26 | 109.4° | 109.6° |
| C1 | O4 | H30 | 109.5° | 114.0° |
| O11 | C9 | C7 | 106.7° | 109.5° |
| O11 | C9 | C10 | 111.0° | 109.5° |
| O11 | C9 | H9 | 109.5° | 109.4° |
| C9 | O11 | H37 | 109.5° | 113.9° |
| C9 | C7 | O2 | 106.8° | 109.5° |
| C7 | C9 | C10 | 113.6° | 109.5° |
| C9 | C7 | H6 | 109.1° | 109.5° |
| C7 | C9 | H9 | 108.0° | 109.5° |
| C7 | O2 | C4 | 115.8° | 114.0° |
| O2 | C7 | H6 | 110.3° | 109.5° |
| O23 | P1 | O7 | 105.6° | 109.5° |
| O23 | P1 | O21 | 123.0° | 109.5° |
| O1 | C4 | O2 | 109.3° | 109.5° |
| O1 | C4 | C3 | 111.0° | 109.5° |
| O1 | C4 | H2 | 110.0° | 109.5° |
| O2 | C4 | C3 | 107.7° | 109.4° |
| O2 | C4 | H2 | 110.5° | 109.4° |
| C4 | C3 | C2 | 111.3° | 109.1° |
| C4 | C3 | N1 | 106.8° | 109.6° |
| C3 | C4 | H2 | 108.3° | 109.5° |
| C4 | C3 | H27 | 108.6° | 109.5° |
| O6 | P2 | O22 | 109.7° | 109.5° |
| P2 | O22 | H25 | 109.5° | 114.0° |
| C1 | C2 | C3 | 111.3° | 109.0° |
| C1 | C2 | O3 | 109.1° | 109.5° |
| C1 | C2 | H1 | 107.9° | 109.7° |
| C2 | C1 | H26 | 108.1° | 109.6° |
| O7 | C11 | C10 | 108.6° | 109.4° |
| C11 | O7 | P1 | 119.3° | 123.0° |
| O7 | C11 | H11 | 109.7° | 109.5° |
| O7 | C11 | H12 | 109.7° | 109.5° |
| C11 | C10 | C9 | 112.7° | 109.5° |
| C11 | C10 | O12 | 107.9° | 109.5° |
| C11 | C10 | H10 | 108.3° | 109.5° |
| C10 | C11 | H11 | 109.7° | 109.4° |
| C10 | C11 | H12 | 109.7° | 109.4° |
| O7 | P1 | O21 | 106.8° | 109.5° |
| P1 | O21 | H24 | 109.5° | 114.0° |
| C9 | C10 | O12 | 110.6° | 109.4° |
| C10 | C9 | H9 | 107.9° | 109.5° |
| C9 | C10 | H10 | 108.0° | 109.5° |
| C3 | C2 | O3 | 111.5° | 109.5° |
| C2 | C3 | N1 | 111.8° | 109.5° |
| C3 | C2 | H1 | 107.8° | 109.5° |
| C2 | C3 | H27 | 108.7° | 109.5° |
| O3 | C2 | H1 | 109.1° | 109.5° |
| C2 | O3 | H29 | 109.5° | 114.0° |
| C3 | N1 | C20 | 121.8° | 120.1° |
| N1 | C3 | H27 | 109.7° | 109.6° |
| C3 | N1 | H28 | 119.1° | 120.0° |
| N1 | C20 | C21 | 115.4° | 120.0° |
| N1 | C20 | O10 | 122.1° | 120.0° |
| C20 | N1 | H28 | 119.1° | 120.0° |
| O12 | C10 | H10 | 109.3° | 109.5° |
| C10 | O12 | H38 | 109.5° | 114.0° |
| C21 | C20 | O10 | 122.4° | 120.0° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| C20 | C21 | H35 | 109.5° | 109.5° |
| C20 | C21 | H36 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H21 | C19 | C23 | 100.8° | 109.5° |
| H21 | C19 | O13 | 100.8° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.4° |
| H34 | C21 | H36 | 109.4° | 109.4° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| H39 | C22 | H40 | 109.5° | 109.5° |
| C23 | C19 | O13 | 0.0° | 109.4° |
| C19 | C23 | O16 | 90.0° | 109.5° |
| C19 | C23 | H22 | 90.0° | 109.5° |
| C19 | C23 | H23 | 90.0° | 109.5° |
| C19 | O13 | H46 | 90.0° | 114.0° |
| O16 | C23 | H22 | 90.0° | 109.5° |
| O16 | C23 | H23 | 90.0° | 109.5° |
| C23 | O16 | H47 | 90.0° | 114.0° |
| H22 | C23 | H23 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | O15 | 58.8° | 60.0° |
| C19 | C18 | C17 | O17 | 121.5° | 120.0° |
| C19 | C18 | C17 | H20 | 120.0° | 120.0° |
| C19 | C18 | O17 | H20 | 117.0° | 120.0° |
| C19 | C18 | C17 | C16 | 177.8° | 180.0° |
| C19 | C18 | C17 | H19 | 58.6° | 60.0° |
| C18 | C19 | H21 | C23 | 24.7° | 120.0° |
| C18 | C19 | H21 | O13 | 24.7° | 120.0° |
| C19 | C18 | O17 | H42 | 180.0° | 59.9° |
| C18 | C19 | C23 | O13 | 90.0° | 120.0° |
| C18 | C19 | C23 | O16 | 90.0° | 175.0° |
| C18 | C19 | C23 | H22 | 90.0° | 55.0° |
| C18 | C19 | C23 | H23 | 90.0° | 64.9° |
| C18 | C19 | O13 | H46 | 90.0° | 59.9° |
| O15 | C17 | C18 | C16 | 123.4° | 120.0° |
| O15 | C17 | C18 | H19 | 117.3° | 120.0° |
| O15 | C17 | C18 | O17 | 179.7° | 180.0° |
| O15 | C17 | C16 | H19 | 118.3° | 120.0° |
| O15 | C17 | C16 | O9 | 46.4° | 65.0° |
| O15 | C17 | C16 | H17 | 167.1° | 55.0° |
| O15 | C17 | C16 | H18 | 74.4° | 175.0° |
| O15 | C17 | C18 | H20 | 61.2° | 60.0° |
| O20 | C13 | C14 | C12 | 122.1° | 120.0° |
| O20 | C13 | C14 | H32 | 119.3° | 120.1° |
| O20 | C13 | C12 | H32 | 119.8° | 120.1° |
| O20 | C13 | C14 | O18 | 69.0° | 180.0° |
| O20 | C13 | C14 | C15 | 168.0° | 60.0° |
| O20 | C13 | C12 | O8 | 62.8° | 65.0° |
| O20 | C13 | C12 | H13 | 177.4° | 54.9° |
| O20 | C13 | C12 | H14 | 56.9° | 175.0° |
| O20 | C13 | C14 | H33 | 48.5° | 60.0° |
| C17 | C18 | O17 | H20 | 117.6° | 120.0° |
| C18 | C17 | C16 | H19 | 119.2° | 120.0° |
| C18 | C17 | C16 | O9 | 76.1° | 175.0° |
| C18 | C17 | C16 | H17 | 44.7° | 65.0° |
| C18 | C17 | C16 | H18 | 163.1° | 55.0° |
| C17 | C18 | C19 | H21 | 180.0° | 60.0° |
| C18 | C17 | O15 | H41 | 180.0° | 60.0° |
| C17 | C18 | O17 | H42 | 54.6° | 60.0° |
| C17 | C18 | C19 | C23 | 106.4° | 180.0° |
| C17 | C18 | C19 | O13 | 106.4° | 60.0° |
| O17 | C18 | C17 | C16 | 56.4° | 60.0° |
| O17 | C18 | C17 | H19 | 62.9° | 60.0° |
| O17 | C18 | C19 | H21 | 57.9° | 60.0° |
| O17 | C18 | C19 | C23 | 15.7° | 60.1° |
| O17 | C18 | C19 | O13 | 15.7° | 180.0° |
| O5 | C6 | C5 | H4 | 120.2° | 120.0° |
| O5 | C6 | C5 | H5 | 120.2° | 120.0° |
| O5 | C6 | C5 | O1 | 65.2° | 65.0° |
| O5 | C6 | C5 | C1 | 175.7° | 175.1° |
| O5 | C6 | C5 | H3 | 53.9° | 55.0° |
| O5 | C6 | H4 | H5 | 119.5° | 120.0° |
| C17 | C16 | O9 | H17 | 120.8° | 120.0° |
| C17 | C16 | O9 | H18 | 120.8° | 120.0° |
| C17 | C16 | O9 | P2 | 176.1° | 180.0° |
| C17 | C16 | H17 | H18 | 117.6° | 120.0° |
| C16 | C17 | C18 | H20 | 62.2° | 60.0° |
| C16 | C17 | O15 | H41 | 54.1° | 60.0° |
| C14 | C13 | C12 | H32 | 118.4° | 120.0° |
| C13 | C14 | O18 | C15 | 124.7° | 120.0° |
| C13 | C14 | O18 | H33 | 116.8° | 120.0° |
| C13 | C14 | C15 | H33 | 119.5° | 120.0° |
| C13 | C14 | C15 | O19 | 36.6° | 60.0° |
| C14 | C13 | C12 | O8 | 175.4° | 175.0° |
| C13 | C14 | C15 | C22 | 159.2° | 180.0° |
| C14 | C13 | C12 | H13 | 55.7° | 65.1° |
| C14 | C13 | C12 | H14 | 64.8° | 55.0° |
| C13 | C14 | C15 | H16 | 82.1° | 60.0° |
| C13 | C14 | O18 | H43 | 180.0° | 60.0° |
| C14 | C13 | O20 | H45 | 180.0° | 60.0° |
| C12 | C13 | C14 | O18 | 53.1° | 60.0° |
| C12 | C13 | C14 | C15 | 69.9° | 180.0° |
| C13 | C12 | O8 | H13 | 119.7° | 119.9° |
| C13 | C12 | O8 | H14 | 119.8° | 120.0° |
| C13 | C12 | O8 | P1 | 166.9° | 180.0° |
| C13 | C12 | H13 | H14 | 120.8° | 120.1° |
| C12 | C13 | C14 | H33 | 170.6° | 60.0° |
| C12 | C13 | O20 | H45 | 57.7° | 60.0° |
| O18 | C14 | C15 | H33 | 119.3° | 120.0° |
| O18 | C14 | C15 | O19 | 157.7° | 180.0° |
| O18 | C14 | C15 | C22 | 79.6° | 60.0° |
| O18 | C14 | C15 | H16 | 39.1° | 60.0° |
| O18 | C14 | C13 | H32 | 171.7° | 60.0° |
| C14 | C15 | O19 | C22 | 124.4° | 120.0° |
| C14 | C15 | O19 | H16 | 117.8° | 120.1° |
| C14 | C15 | C22 | H16 | 118.6° | 120.0° |
| C14 | C15 | C22 | O14 | 115.4° | 175.0° |
| C15 | C14 | C13 | H32 | 48.7° | 60.0° |
| C14 | C15 | C22 | H39 | 124.3° | 55.0° |
| C14 | C15 | C22 | H40 | 4.8° | 65.0° |
| C15 | C14 | O18 | H43 | 55.3° | 59.9° |
| C14 | C15 | O19 | H44 | 180.0° | 59.9° |
| C6 | C5 | O1 | C1 | 121.6° | 120.0° |
| C6 | C5 | O1 | H3 | 118.3° | 120.0° |
| C6 | C5 | C1 | H3 | 121.9° | 120.1° |
| C6 | C5 | C1 | O4 | 60.8° | 62.5° |
| C6 | C5 | O1 | C4 | 172.1° | 178.9° |
| C6 | C5 | C1 | C2 | 176.6° | 177.6° |
| C5 | C6 | H4 | H5 | 119.4° | 120.0° |
| C6 | C5 | C1 | H26 | 58.8° | 57.6° |
| C5 | C6 | O5 | H31 | 180.0° | 180.0° |
| C16 | O9 | P2 | O24 | 149.9° | 55.0° |
| C16 | O9 | P2 | O6 | 96.8° | 175.0° |
| C16 | O9 | P2 | O22 | 20.9° | 65.0° |
| O9 | C16 | H17 | H18 | 117.6° | 120.0° |
| O9 | C16 | C17 | H19 | 164.7° | 55.0° |
| O9 | P2 | O6 | C8 | 48.6° | 175.0° |
| O9 | P2 | O24 | O6 | 108.0° | 120.0° |
| O9 | P2 | O24 | O22 | 123.7° | 120.0° |
| O9 | P2 | O6 | O22 | 119.2° | 119.9° |
| P2 | O9 | C16 | H17 | 55.3° | 60.0° |
| P2 | O9 | C16 | H18 | 63.2° | 60.0° |
| O9 | P2 | O22 | H25 | 118.4° | 60.0° |
| O19 | C15 | C22 | H16 | 118.4° | 120.0° |
| O19 | C15 | C22 | O14 | 121.6° | 65.0° |
| O19 | C15 | C14 | H33 | 83.0° | 60.0° |
| O19 | C15 | C22 | H39 | 1.3° | 175.0° |
| O19 | C15 | C22 | H40 | 118.2° | 55.0° |
| C7 | C8 | O6 | H7 | 119.7° | 120.0° |
| C7 | C8 | O6 | H8 | 119.7° | 120.0° |
| C8 | C7 | C9 | O11 | 61.8° | 60.0° |
| C8 | C7 | C9 | O2 | 119.2° | 120.0° |
| C8 | C7 | C9 | H6 | 121.7° | 120.0° |
| C8 | C7 | O2 | H6 | 119.6° | 120.0° |
| C8 | C7 | O2 | C4 | 92.3° | 90.0° |
| C7 | C8 | O6 | P2 | 174.3° | 180.0° |
| C8 | C7 | C9 | C10 | 175.6° | 180.0° |
| C7 | C8 | H7 | H8 | 120.9° | 119.9° |
| C8 | C7 | C9 | H9 | 55.9° | 60.0° |
| C8 | O6 | P2 | O24 | 58.4° | 55.0° |
| O6 | C8 | C7 | C9 | 58.3° | 175.0° |
| O6 | C8 | C7 | O2 | 59.9° | 65.0° |
| C8 | O6 | P2 | O22 | 167.8° | 65.0° |
| O6 | C8 | C7 | H6 | 179.9° | 55.0° |
| O6 | C8 | H7 | H8 | 120.9° | 120.0° |
| O1 | C5 | C1 | H3 | 120.9° | 119.9° |
| O1 | C5 | C1 | O4 | 178.0° | 177.5° |
| C5 | O1 | C4 | O2 | 178.6° | 178.9° |
| C5 | O1 | C4 | C3 | 62.7° | 61.2° |
| O1 | C5 | C1 | C2 | 59.3° | 57.6° |
| C5 | O1 | C4 | H2 | 57.1° | 58.8° |
| O1 | C5 | C6 | H4 | 55.0° | 175.0° |
| O1 | C5 | C6 | H5 | 174.6° | 55.0° |
| O1 | C5 | C1 | H26 | 58.5° | 62.4° |
| C5 | C1 | O4 | C2 | 122.2° | 119.7° |
| C5 | C1 | O4 | H26 | 118.7° | 120.1° |
| C1 | C5 | O1 | C4 | 66.3° | 61.1° |
| C5 | C1 | C2 | H26 | 117.8° | 119.9° |
| C5 | C1 | C2 | C3 | 50.7° | 57.0° |
| C5 | C1 | C2 | O3 | 174.2° | 176.9° |
| C5 | C1 | C2 | H1 | 67.4° | 62.9° |
| C1 | C5 | C6 | H4 | 64.2° | 55.1° |
| C1 | C5 | C6 | H5 | 55.5° | 64.9° |
| C5 | C1 | O4 | H30 | 180.0° | 60.0° |
| C12 | O8 | P1 | O23 | 168.6° | 55.0° |
| C12 | O8 | P1 | O7 | 80.1° | 175.0° |
| C12 | O8 | P1 | O21 | 33.8° | 65.0° |
| O8 | C12 | H13 | H14 | 120.7° | 120.0° |
| O8 | C12 | C13 | H32 | 57.0° | 55.1° |
| O8 | P1 | O23 | O7 | 110.2° | 120.0° |
| O8 | P1 | O23 | O21 | 127.1° | 120.0° |
| O8 | P1 | O7 | C11 | 84.4° | 175.0° |
| O8 | P1 | O7 | O21 | 115.9° | 120.0° |
| P1 | O8 | C12 | H13 | 47.2° | 60.0° |
| P1 | O8 | C12 | H14 | 73.3° | 60.0° |
| O8 | P1 | O21 | H24 | 125.7° | 60.0° |
| O24 | P2 | O6 | O22 | 133.8° | 120.1° |
| O24 | P2 | O22 | H25 | 0.0° | 180.0° |
| C15 | C22 | O14 | H39 | 120.3° | 120.0° |
| C15 | C22 | O14 | H40 | 120.2° | 120.0° |
| C15 | C22 | O14 | H15 | 180.0° | 180.0° |
| C22 | C15 | C14 | H33 | 39.7° | 60.0° |
| C15 | C22 | H39 | H40 | 119.2° | 120.0° |
| C22 | C15 | O19 | H44 | 55.6° | 60.0° |
| O14 | C22 | C15 | H16 | 3.2° | 55.0° |
| O14 | C22 | H39 | H40 | 119.2° | 120.0° |
| O4 | C1 | C2 | H26 | 119.9° | 120.2° |
| O4 | C1 | C2 | C3 | 173.1° | 176.9° |
| O4 | C1 | C2 | O3 | 63.4° | 63.3° |
| O4 | C1 | C2 | H1 | 55.0° | 56.9° |
| O4 | C1 | C5 | H3 | 61.1° | 57.6° |
| O11 | C9 | C7 | C10 | 122.6° | 120.0° |
| O11 | C9 | C7 | H9 | 117.7° | 119.9° |
| O11 | C9 | C7 | O2 | 179.0° | 179.9° |
| O11 | C9 | C10 | C11 | 57.5° | 60.0° |
| O11 | C9 | C10 | H9 | 120.0° | 119.9° |
| O11 | C9 | C10 | O12 | 63.3° | 179.9° |
| O11 | C9 | C7 | H6 | 59.9° | 60.1° |
| O11 | C9 | C10 | H10 | 177.2° | 60.1° |
| C9 | C7 | O2 | H6 | 118.4° | 120.0° |
| C9 | C7 | O2 | C4 | 145.7° | 150.0° |
| C7 | C9 | C10 | C11 | 62.7° | 180.0° |
| C7 | C9 | C10 | H9 | 119.7° | 120.0° |
| C7 | C9 | C10 | O12 | 176.4° | 60.0° |
| C9 | C7 | C8 | H7 | 178.0° | 55.0° |
| C9 | C7 | C8 | H8 | 61.4° | 64.9° |
| C7 | C9 | C10 | H10 | 56.9° | 60.0° |
| C7 | C9 | O11 | H37 | 180.0° | 60.0° |
| C7 | O2 | C4 | O1 | 74.7° | 65.0° |
| C7 | O2 | C4 | C3 | 164.6° | 175.0° |
| O2 | C7 | C9 | C10 | 56.4° | 60.0° |
| C7 | O2 | C4 | H2 | 46.4° | 55.1° |
| O2 | C7 | C8 | H7 | 59.8° | 175.0° |
| O2 | C7 | C8 | H8 | 179.6° | 55.0° |
| O2 | C7 | C9 | H9 | 63.3° | 60.0° |
| O23 | P1 | O7 | C11 | 27.3° | 55.0° |
| O23 | P1 | O7 | O21 | 132.5° | 120.0° |
| O23 | P1 | O21 | H24 | 0.0° | 180.0° |
| O1 | C4 | O2 | C3 | 120.7° | 120.0° |
| O1 | C4 | O2 | H2 | 121.2° | 120.1° |
| O1 | C4 | C3 | H2 | 120.8° | 120.1° |
| O1 | C4 | C3 | C2 | 52.5° | 57.6° |
| O1 | C4 | C3 | N1 | 174.7° | 177.5° |
| C4 | O1 | C5 | H3 | 53.8° | 58.8° |
| O1 | C4 | C3 | H27 | 67.1° | 62.3° |
| O2 | C4 | C3 | H2 | 119.5° | 119.9° |
| O2 | C4 | C3 | C2 | 172.1° | 177.6° |
| O2 | C4 | C3 | N1 | 65.6° | 62.5° |
| C4 | O2 | C7 | H6 | 27.3° | 29.9° |
| O2 | C4 | C3 | H27 | 52.6° | 57.7° |
| C4 | C3 | C2 | C1 | 47.1° | 57.0° |
| C4 | C3 | C2 | N1 | 119.3° | 119.9° |
| C4 | C3 | C2 | H27 | 119.5° | 119.8° |
| C4 | C3 | C2 | O3 | 169.2° | 176.8° |
| C4 | C3 | N1 | H27 | 117.5° | 120.1° |
| C4 | C3 | N1 | C20 | 97.7° | 85.3° |
| C4 | C3 | C2 | H1 | 71.0° | 63.0° |
| C4 | C3 | N1 | H28 | 82.3° | 94.7° |
| P2 | O6 | C8 | H7 | 66.0° | 60.0° |
| P2 | O6 | C8 | H8 | 54.7° | 60.0° |
| O6 | P2 | O22 | H25 | 128.2° | 60.0° |
| C1 | C2 | C3 | O3 | 122.1° | 119.8° |
| C1 | C2 | C3 | H1 | 118.1° | 120.0° |
| C1 | C2 | O3 | H1 | 117.6° | 120.3° |
| C1 | C2 | C3 | N1 | 166.4° | 176.9° |
| C2 | C1 | C5 | H3 | 61.5° | 62.3° |
| C1 | C2 | C3 | H27 | 72.4° | 62.9° |
| C1 | C2 | O3 | H29 | 180.0° | 60.5° |
| C2 | C1 | O4 | H30 | 57.8° | 179.6° |
| O7 | C11 | C10 | H11 | 119.8° | 120.0° |
| O7 | C11 | C10 | H12 | 119.8° | 120.0° |
| C11 | O7 | P1 | O21 | 159.7° | 65.0° |
| O7 | C11 | C10 | C9 | 173.0° | 175.0° |
| O7 | C11 | C10 | O12 | 64.6° | 65.0° |
| O7 | C11 | C10 | H10 | 53.6° | 55.0° |
| O7 | C11 | H11 | H12 | 120.4° | 120.1° |
| C10 | C11 | O7 | P1 | 139.0° | 180.0° |
| C11 | C10 | C9 | O12 | 120.8° | 120.0° |
| C11 | C10 | C9 | H10 | 119.6° | 120.0° |
| C11 | C10 | O12 | H10 | 117.6° | 120.0° |
| C11 | C10 | C9 | H9 | 177.6° | 60.0° |
| C10 | C11 | H11 | H12 | 120.4° | 119.9° |
| C11 | C10 | O12 | H38 | 180.0° | 60.0° |
| P1 | O7 | C11 | H11 | 101.1° | 60.1° |
| P1 | O7 | C11 | H12 | 19.2° | 60.0° |
| O7 | P1 | O21 | H24 | 122.1° | 60.0° |
| C9 | C10 | O12 | H10 | 118.7° | 120.0° |
| C10 | C9 | C7 | H6 | 62.8° | 60.0° |
| C9 | C10 | C11 | H11 | 53.2° | 65.0° |
| C9 | C10 | C11 | H12 | 67.1° | 55.0° |
| C10 | C9 | O11 | H37 | 55.7° | 60.0° |
| C9 | C10 | O12 | H38 | 56.3° | 60.0° |
| C3 | C2 | O3 | H1 | 119.0° | 120.2° |
| C2 | C3 | N1 | H27 | 120.6° | 120.2° |
| C2 | C3 | N1 | C20 | 140.3° | 155.0° |
| C2 | C3 | C4 | H2 | 68.3° | 62.5° |
| C3 | C2 | C1 | H26 | 67.1° | 62.9° |
| C2 | C3 | N1 | H28 | 39.7° | 24.9° |
| C3 | C2 | O3 | H29 | 56.6° | 180.0° |
| O3 | C2 | C3 | N1 | 71.5° | 63.3° |
| O3 | C2 | C1 | H26 | 56.4° | 56.9° |
| O3 | C2 | C3 | H27 | 49.7° | 57.0° |
| C3 | N1 | C20 | H28 | 180.0° | 179.9° |
| C3 | N1 | C20 | C21 | 170.4° | 180.0° |
| C3 | N1 | C20 | O10 | 6.4° | 0.0° |
| N1 | C3 | C2 | H1 | 48.3° | 56.9° |
| N1 | C3 | C4 | H2 | 53.9° | 57.5° |
| N1 | C20 | C21 | O10 | 176.9° | 180.0° |
| C20 | N1 | C3 | H27 | 19.7° | 34.8° |
| N1 | C20 | C21 | H34 | 176.8° | 180.0° |
| N1 | C20 | C21 | H35 | 63.1° | 60.0° |
| N1 | C20 | C21 | H36 | 56.9° | 60.0° |
| O12 | C10 | C9 | H9 | 56.7° | 60.0° |
| O12 | C10 | C11 | H11 | 175.6° | 55.0° |
| O12 | C10 | C11 | H12 | 55.2° | 175.0° |
| C21 | C20 | N1 | H28 | 9.6° | 0.1° |
| C20 | C21 | H34 | H35 | 120.0° | 120.0° |
| C20 | C21 | H34 | H36 | 120.0° | 120.0° |
| C20 | C21 | H35 | H36 | 120.0° | 120.0° |
| O10 | C20 | N1 | H28 | 173.6° | 179.9° |
| O10 | C20 | C21 | H34 | 0.0° | 0.0° |
| O10 | C20 | C21 | H35 | 120.0° | 120.0° |
| O10 | C20 | C21 | H36 | 120.0° | 120.0° |
| H1 | C2 | C1 | H26 | 174.9° | 177.2° |
| H1 | C2 | C3 | H27 | 169.5° | 177.1° |
| H1 | C2 | O3 | H29 | 62.4° | 59.8° |
| H2 | C4 | C3 | H27 | 172.1° | 177.7° |
| H3 | C5 | C6 | H4 | 174.1° | 65.0° |
| H3 | C5 | C6 | H5 | 66.3° | 175.0° |
| H3 | C5 | C1 | H26 | 179.3° | 177.7° |
| H4 | C6 | O5 | H31 | 59.8° | 60.0° |
| H5 | C6 | O5 | H31 | 59.8° | 60.0° |
| H6 | C7 | C8 | H7 | 60.5° | 65.1° |
| H6 | C7 | C8 | H8 | 60.2° | 175.0° |
| H6 | C7 | C9 | H9 | 177.5° | 180.0° |
| H9 | C9 | C10 | H10 | 62.8° | NaN° |
| H9 | C9 | O11 | H37 | 63.4° | 180.0° |
| H10 | C10 | C11 | H11 | 66.2° | 175.0° |
| H10 | C10 | C11 | H12 | 173.4° | 65.0° |
| H10 | C10 | O12 | H38 | 62.4° | 180.0° |
| H13 | C12 | C13 | H32 | 62.8° | 175.0° |
| H14 | C12 | C13 | H32 | 176.7° | 65.0° |
| H15 | O14 | C22 | H39 | 59.7° | 60.0° |
| H15 | O14 | C22 | H40 | 59.8° | 60.1° |
| H16 | C15 | C14 | H33 | 158.4° | 180.0° |
| H16 | C15 | C22 | H39 | 117.1° | 65.0° |
| H16 | C15 | C22 | H40 | 123.4° | 174.9° |
| H16 | C15 | O19 | H44 | 62.1° | 180.0° |
| H17 | C16 | C17 | H19 | 74.5° | 175.0° |
| H18 | C16 | C17 | H19 | 43.9° | 65.0° |
| H19 | C17 | C18 | H20 | 178.5° | 180.0° |
| H19 | C17 | O15 | H41 | 63.5° | 180.0° |
| H20 | C18 | C19 | H21 | 60.1° | 180.0° |
| H20 | C18 | O17 | H42 | 63.0° | 180.0° |
| H20 | C18 | C19 | C23 | 133.7° | 60.0° |
| H20 | C18 | C19 | O13 | 133.7° | 59.9° |
| H21 | C19 | C23 | O13 | 90.0° | 120.0° |
| H21 | C19 | C23 | O16 | 90.0° | 55.0° |
| H21 | C19 | C23 | H22 | 90.0° | 65.0° |
| H21 | C19 | C23 | H23 | 90.0° | 175.0° |
| H21 | C19 | O13 | H46 | 90.0° | 180.0° |
| H26 | C1 | O4 | H30 | 61.3° | 60.1° |
| H27 | C3 | N1 | H28 | 160.3° | 145.1° |
| H32 | C13 | C14 | H33 | 70.8° | 179.9° |
| H32 | C13 | O20 | H45 | 61.5° | 180.0° |
| H33 | C14 | O18 | H43 | 63.2° | 180.0° |
| H34 | C21 | H35 | H36 | 120.0° | 119.9° |
| C19 | C23 | O16 | H22 | 90.0° | 120.0° |
| C19 | C23 | O16 | H23 | 90.0° | 120.1° |
| C19 | C23 | H22 | H23 | 90.0° | 120.0° |
| C23 | C19 | O13 | H46 | 90.0° | 60.0° |
| C19 | C23 | O16 | H47 | 90.0° | 179.9° |
| O13 | C19 | C23 | O16 | 90.0° | 65.0° |
| O13 | C19 | C23 | H22 | 90.0° | 175.0° |
| O13 | C19 | C23 | H23 | 90.0° | 55.0° |
| O16 | C23 | H22 | H23 | 90.0° | 120.0° |
| H22 | C23 | O16 | H47 | 90.0° | 59.9° |
| H23 | C23 | O16 | H47 | 90.0° | 60.0° |
