GHD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C18 | sing | 1.43Å | 1.42Å | |
| C19 | O15 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C11 | sing | 1.53Å | 1.53Å | |
| O16 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C10 | sing | 1.53Å | 1.56Å | |
| O4 | C7 | sing | 1.43Å | 1.42Å | |
| C11 | O8 | sing | 1.43Å | 1.42Å | |
| C11 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| O8 | C12 | sing | 1.43Å | 1.47Å | |
| C10 | O7 | sing | 1.43Å | 1.45Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| O9 | C13 | sing | 1.43Å | 1.43Å | |
| O2 | C5 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C6 | O3 | sing | 1.43Å | 1.43Å | |
| C9 | O6 | sing | 1.43Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| O10 | C14 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C15 | O11 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| O18 | C21 | doub | 1.21Å | 1.21Å | |
| O6 | C8 | sing | 1.43Å | 1.47Å | |
| C4 | O5 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| O5 | C8 | sing | 1.43Å | 1.43Å | |
| C17 | O13 | doub | 1.21Å | 1.19Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C21 | C8 | sing | 1.51Å | 1.55Å | |
| C21 | O17 | sing | 1.34Å | 1.20Å | |
| C8 | C22 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | sing | 1.35Å | 1.35Å | |
| C16 | O12 | sing | 1.43Å | 1.44Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C3 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | O19 | sing | 1.43Å | 1.43Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| O9 | H20 | sing | 0.97Å | 0.95Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| O10 | H23 | sing | 0.97Å | 0.95Å | |
| O11 | H25 | sing | 0.97Å | 0.95Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| O12 | H27 | sing | 0.97Å | 0.95Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| O14 | H30 | sing | 0.97Å | 0.95Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| O15 | H32 | sing | 0.97Å | 0.95Å | |
| O16 | H34 | sing | 0.97Å | 0.95Å | |
| O17 | H39 | sing | 0.97Å | 0.95Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| O19 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C18 | C19 | 111.2° | 109.6° |
| O14 | C18 | C11 | 109.1° | 109.5° |
| O14 | C18 | H29 | 109.2° | 109.5° |
| C18 | O14 | H30 | 109.5° | 114.0° |
| O15 | C19 | C18 | 109.3° | 109.5° |
| O15 | C19 | C20 | 111.7° | 109.6° |
| O15 | C19 | H31 | 108.4° | 109.5° |
| C19 | O15 | H32 | 109.5° | 114.0° |
| C18 | C19 | C20 | 113.0° | 109.1° |
| C19 | C18 | C11 | 111.6° | 109.1° |
| C19 | C18 | H29 | 107.8° | 109.6° |
| C18 | C19 | H31 | 107.1° | 109.5° |
| C19 | C20 | O16 | 109.2° | 109.6° |
| C19 | C20 | C10 | 114.1° | 109.2° |
| C19 | C20 | H33 | 107.6° | 109.5° |
| C20 | C19 | H31 | 107.1° | 109.6° |
| C18 | C11 | O8 | 107.3° | 109.5° |
| C18 | C11 | O7 | 110.0° | 109.5° |
| C18 | C11 | H17 | 108.5° | 109.5° |
| C11 | C18 | H29 | 107.8° | 109.5° |
| O16 | C20 | C10 | 109.4° | 109.5° |
| O16 | C20 | H33 | 109.0° | 109.5° |
| C20 | O16 | H34 | 109.5° | 114.0° |
| C20 | C10 | O7 | 110.0° | 109.5° |
| C20 | C10 | C9 | 113.2° | 109.5° |
| C20 | C10 | H16 | 107.5° | 109.5° |
| C10 | C20 | H33 | 107.4° | 109.6° |
| O4 | C7 | C6 | 113.3° | 109.5° |
| O4 | C7 | H12 | 108.5° | 109.4° |
| O4 | C7 | H11 | 108.5° | 109.4° |
| C7 | O4 | H13 | 109.5° | 114.0° |
| O8 | C11 | O7 | 111.0° | 109.5° |
| C11 | O8 | C12 | 119.2° | 114.0° |
| O8 | C11 | H17 | 109.9° | 109.4° |
| C11 | O7 | C10 | 112.4° | 114.1° |
| O7 | C11 | H17 | 109.9° | 109.5° |
| C7 | C6 | C5 | 113.1° | 109.4° |
| C7 | C6 | O3 | 108.0° | 109.5° |
| C7 | C6 | H9 | 108.2° | 109.4° |
| C6 | C7 | H12 | 108.5° | 109.5° |
| C6 | C7 | H11 | 108.5° | 109.5° |
| O8 | C12 | C13 | 111.0° | 109.5° |
| O8 | C12 | C15 | 105.7° | 109.5° |
| O8 | C12 | H18 | 108.7° | 109.5° |
| O7 | C10 | C9 | 109.1° | 109.5° |
| O7 | C10 | H16 | 108.9° | 109.5° |
| C10 | C9 | O6 | 111.8° | 109.5° |
| C9 | C10 | H16 | 108.1° | 109.4° |
| C10 | C9 | H15 | 108.9° | 109.4° |
| C10 | C9 | H14 | 108.9° | 109.5° |
| O9 | C13 | C12 | 112.0° | 109.5° |
| O9 | C13 | C14 | 108.2° | 109.4° |
| O9 | C13 | H19 | 108.9° | 109.5° |
| C13 | O9 | H20 | 109.5° | 114.0° |
| O2 | C5 | C6 | 108.2° | 109.5° |
| O2 | C5 | C4 | 99.6° | 109.5° |
| O2 | C5 | H7 | 109.5° | 109.5° |
| C5 | O2 | H8 | 109.5° | 114.0° |
| C5 | C6 | O3 | 110.4° | 109.5° |
| C6 | C5 | C4 | 122.9° | 109.5° |
| C6 | C5 | H7 | 107.7° | 109.5° |
| C5 | C6 | H9 | 107.7° | 109.5° |
| O3 | C6 | H9 | 109.4° | 109.5° |
| C6 | O3 | H10 | 109.5° | 114.1° |
| C9 | O6 | C8 | 119.9° | 114.0° |
| O6 | C9 | H15 | 108.9° | 109.5° |
| O6 | C9 | H14 | 108.9° | 109.5° |
| C13 | C12 | C15 | 115.8° | 109.4° |
| C12 | C13 | C14 | 112.5° | 109.5° |
| C12 | C13 | H19 | 107.4° | 109.5° |
| C13 | C12 | H18 | 107.5° | 109.4° |
| C12 | C15 | O11 | 107.5° | 109.5° |
| C12 | C15 | C16 | 118.2° | 109.5° |
| C12 | C15 | H24 | 107.2° | 109.5° |
| C15 | C12 | H18 | 107.9° | 109.5° |
| C13 | C14 | O10 | 111.6° | 109.5° |
| C14 | C13 | H19 | 107.8° | 109.5° |
| C13 | C14 | H21 | 108.9° | 109.4° |
| C13 | C14 | H22 | 108.9° | 109.5° |
| C5 | C4 | O5 | 108.6° | 109.5° |
| C5 | C4 | C3 | 117.0° | 109.5° |
| C5 | C4 | H6 | 106.4° | 109.4° |
| C4 | C5 | H7 | 108.2° | 109.4° |
| O10 | C14 | H21 | 108.9° | 109.5° |
| O10 | C14 | H22 | 108.9° | 109.5° |
| C14 | O10 | H23 | 109.5° | 114.0° |
| O1 | C2 | C1 | 120.5° | 120.0° |
| O1 | C2 | N1 | 124.2° | 120.0° |
| O11 | C15 | C16 | 107.9° | 109.4° |
| O11 | C15 | H24 | 108.5° | 109.5° |
| C15 | O11 | H25 | 109.5° | 114.1° |
| C15 | C16 | C17 | 112.1° | 109.5° |
| C15 | C16 | O12 | 107.6° | 109.5° |
| C16 | C15 | H24 | 107.2° | 109.4° |
| C15 | C16 | H26 | 108.2° | 109.5° |
| O18 | C21 | C8 | 121.2° | 120.0° |
| O18 | C21 | O17 | 119.3° | 120.0° |
| O6 | C8 | O5 | 115.7° | 109.5° |
| O6 | C8 | C21 | 107.8° | 109.5° |
| O6 | C8 | C22 | 105.5° | 109.5° |
| O5 | C4 | C3 | 110.7° | 109.4° |
| C4 | O5 | C8 | 107.7° | 114.1° |
| O5 | C4 | H6 | 107.3° | 109.5° |
| C4 | C3 | N1 | 116.5° | 109.5° |
| C4 | C3 | C23 | 113.0° | 109.2° |
| C3 | C4 | H6 | 106.3° | 109.5° |
| C4 | C3 | H5 | 106.6° | 109.6° |
| O5 | C8 | C21 | 107.5° | 109.4° |
| O5 | C8 | C22 | 110.5° | 109.5° |
| O13 | C17 | C16 | 119.7° | 120.0° |
| O13 | C17 | H28 | 120.1° | 120.0° |
| C17 | C16 | O12 | 111.4° | 109.5° |
| C16 | C17 | H28 | 120.2° | 120.0° |
| C17 | C16 | H26 | 108.1° | 109.5° |
| C8 | C21 | O17 | 119.5° | 120.0° |
| C21 | C8 | C22 | 109.7° | 109.5° |
| C21 | O17 | H39 | 109.5° | 117.0° |
| C8 | C22 | C23 | 117.7° | 109.1° |
| C8 | C22 | H35 | 107.4° | 109.5° |
| C8 | C22 | H36 | 107.4° | 109.5° |
| C1 | C2 | N1 | 114.4° | 120.0° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | N1 | C3 | 130.2° | 120.0° |
| C2 | N1 | H4 | 114.9° | 120.0° |
| O12 | C16 | H26 | 109.5° | 109.4° |
| C16 | O12 | H27 | 109.5° | 114.0° |
| N1 | C3 | C23 | 106.6° | 109.5° |
| C3 | N1 | H4 | 114.9° | 120.0° |
| N1 | C3 | H5 | 107.2° | 109.5° |
| C3 | C23 | C22 | 117.3° | 109.0° |
| C3 | C23 | O19 | 109.0° | 109.5° |
| C23 | C3 | H5 | 106.4° | 109.6° |
| C3 | C23 | H37 | 107.1° | 109.5° |
| C22 | C23 | O19 | 107.7° | 109.6° |
| C23 | C22 | H35 | 107.4° | 109.5° |
| C23 | C22 | H36 | 107.4° | 109.5° |
| C22 | C23 | H37 | 107.1° | 109.5° |
| O19 | C23 | H37 | 108.4° | 109.6° |
| C23 | O19 | H38 | 109.5° | 114.0° |
| H12 | C7 | H11 | 109.5° | 109.5° |
| H35 | C22 | H36 | 109.5° | 109.6° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H15 | C9 | H14 | 109.4° | 109.4° |
| H21 | C14 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C18 | C19 | O15 | 135.1° | 63.2° |
| O14 | C18 | C19 | C11 | 122.1° | 119.9° |
| O14 | C18 | C19 | H29 | 119.6° | 120.2° |
| O14 | C18 | C19 | C20 | 99.9° | 176.9° |
| O14 | C18 | C11 | H29 | 118.5° | 120.1° |
| O14 | C18 | C11 | O8 | 80.7° | 62.4° |
| O14 | C18 | C11 | O7 | 158.4° | 177.6° |
| O14 | C18 | C11 | H17 | 38.1° | 57.5° |
| O14 | C18 | C19 | H31 | 17.8° | 56.9° |
| O15 | C19 | C18 | C20 | 125.0° | 119.9° |
| O15 | C19 | C18 | H31 | 117.3° | 120.1° |
| O15 | C19 | C20 | H31 | 118.6° | 120.2° |
| O15 | C19 | C18 | C11 | 102.8° | 176.9° |
| O15 | C19 | C20 | O16 | 47.0° | 57.0° |
| O15 | C19 | C20 | C10 | 75.7° | 176.8° |
| O15 | C19 | C20 | H33 | 165.2° | 63.2° |
| O15 | C19 | C18 | H29 | 15.4° | 57.0° |
| C18 | C19 | C20 | H31 | 117.7° | 119.9° |
| C19 | C18 | C11 | H29 | 118.2° | 119.9° |
| C18 | C19 | C20 | O16 | 170.7° | 62.9° |
| C18 | C19 | C20 | C10 | 47.9° | 56.9° |
| C19 | C18 | C11 | O8 | 156.0° | 177.6° |
| C19 | C18 | C11 | O7 | 35.1° | 57.6° |
| C18 | C19 | C20 | H33 | 71.2° | 176.9° |
| C19 | C18 | C11 | H17 | 85.2° | 62.5° |
| C19 | C18 | O14 | H30 | 180.0° | 179.7° |
| C18 | C19 | O15 | H32 | 180.0° | 59.9° |
| C20 | C19 | C18 | C11 | 22.2° | 57.0° |
| C19 | C20 | O16 | C10 | 125.5° | 119.7° |
| C19 | C20 | O16 | H33 | 117.3° | 120.2° |
| C19 | C20 | C10 | H33 | 119.2° | 120.0° |
| C19 | C20 | C10 | O7 | 14.3° | 57.5° |
| C19 | C20 | C10 | C9 | 108.1° | 177.6° |
| C19 | C20 | C10 | H16 | 132.7° | 62.5° |
| C20 | C19 | C18 | H29 | 140.5° | 62.9° |
| C20 | C19 | O15 | H32 | 54.3° | 179.5° |
| C19 | C20 | O16 | H34 | 180.0° | 60.3° |
| C18 | C11 | O8 | O7 | 120.3° | 120.0° |
| C18 | C11 | O8 | H17 | 117.8° | 120.0° |
| C18 | C11 | O7 | H17 | 119.4° | 120.0° |
| C18 | C11 | O8 | C12 | 178.1° | 172.6° |
| C18 | C11 | O7 | C10 | 74.5° | 61.1° |
| C11 | C18 | O14 | H30 | 56.4° | 60.0° |
| C11 | C18 | C19 | H31 | 139.9° | 63.0° |
| O16 | C20 | C10 | H33 | 118.2° | 120.1° |
| O16 | C20 | C10 | O7 | 136.9° | 62.4° |
| O16 | C20 | C10 | C9 | 14.5° | 57.7° |
| O16 | C20 | C10 | H16 | 104.7° | 177.6° |
| O16 | C20 | C19 | H31 | 71.6° | 177.1° |
| C20 | C10 | O7 | C11 | 46.0° | 61.1° |
| C20 | C10 | O7 | C9 | 124.7° | 120.0° |
| C20 | C10 | O7 | H16 | 117.5° | 120.0° |
| C20 | C10 | C9 | H16 | 118.9° | 120.0° |
| C20 | C10 | C9 | O6 | 176.8° | 55.2° |
| C20 | C10 | C9 | H15 | 56.5° | 175.2° |
| C20 | C10 | C9 | H14 | 62.8° | 64.9° |
| C10 | C20 | C19 | H31 | 165.7° | 63.0° |
| C10 | C20 | O16 | H34 | 54.5° | 179.9° |
| O4 | C7 | C6 | H12 | 120.6° | 120.0° |
| O4 | C7 | C6 | H11 | 120.6° | 120.0° |
| O4 | C7 | C6 | C5 | 152.8° | 175.0° |
| O4 | C7 | C6 | O3 | 84.7° | 65.0° |
| O4 | C7 | C6 | H9 | 33.7° | 55.1° |
| O4 | C7 | H12 | H11 | 118.3° | 120.0° |
| O8 | C11 | O7 | H17 | 121.9° | 120.0° |
| O8 | C11 | O7 | C10 | 166.8° | 178.9° |
| C11 | O8 | C12 | C13 | 33.1° | 122.7° |
| C11 | O8 | C12 | C15 | 93.3° | 117.3° |
| C11 | O8 | C12 | H18 | 151.1° | 2.7° |
| O8 | C11 | C18 | H29 | 37.9° | 57.7° |
| O7 | C11 | O8 | C12 | 61.6° | 67.4° |
| C11 | O7 | C10 | C9 | 170.8° | 178.9° |
| C11 | O7 | C10 | H16 | 71.5° | 58.9° |
| O7 | C11 | C18 | H29 | 83.1° | 62.3° |
| C7 | C6 | C5 | O2 | 57.6° | 60.0° |
| C7 | C6 | C5 | O3 | 121.2° | 120.0° |
| C7 | C6 | C5 | H9 | 119.5° | 119.9° |
| C7 | C6 | O3 | H9 | 117.6° | 120.0° |
| C7 | C6 | C5 | C4 | 172.6° | 180.0° |
| C7 | C6 | C5 | H7 | 60.7° | 60.1° |
| C6 | C7 | H12 | H11 | 118.2° | 120.0° |
| C7 | C6 | O3 | H10 | 180.0° | 60.0° |
| C6 | C7 | O4 | H13 | 180.0° | 180.0° |
| O8 | C12 | C13 | O9 | 38.3° | 62.6° |
| O8 | C12 | C13 | C15 | 120.6° | 120.0° |
| O8 | C12 | C13 | H18 | 118.8° | 120.0° |
| O8 | C12 | C15 | H18 | 116.1° | 120.0° |
| O8 | C12 | C13 | C14 | 160.5° | 57.4° |
| O8 | C12 | C15 | O11 | 95.2° | 179.9° |
| O8 | C12 | C15 | C16 | 142.5° | 60.0° |
| O8 | C12 | C13 | H19 | 81.1° | 177.4° |
| O8 | C12 | C15 | H24 | 21.3° | 60.0° |
| C12 | O8 | C11 | H17 | 60.2° | 52.6° |
| O7 | C10 | C9 | H16 | 118.3° | 120.0° |
| O7 | C10 | C9 | O6 | 60.3° | 64.9° |
| O7 | C10 | C20 | H33 | 105.0° | 177.5° |
| O7 | C10 | C9 | H15 | 179.3° | 55.2° |
| O7 | C10 | C9 | H14 | 60.0° | 175.1° |
| C10 | O7 | C11 | H17 | 44.9° | 58.9° |
| C10 | C9 | O6 | H15 | 120.4° | 120.0° |
| C10 | C9 | O6 | H14 | 120.4° | 120.1° |
| C10 | C9 | O6 | C8 | 99.1° | 174.4° |
| C9 | C10 | C20 | H33 | 132.7° | 62.5° |
| C10 | C9 | H15 | H14 | 118.9° | 120.0° |
| O9 | C13 | C12 | C14 | 122.2° | 120.0° |
| O9 | C13 | C12 | H19 | 119.4° | 120.0° |
| O9 | C13 | C12 | C15 | 158.8° | 57.4° |
| O9 | C13 | C14 | H19 | 117.6° | 120.0° |
| O9 | C13 | C14 | O10 | 1.8° | 65.4° |
| O9 | C13 | C12 | H18 | 80.5° | 177.4° |
| O9 | C13 | C14 | H21 | 118.6° | 174.6° |
| O9 | C13 | C14 | H22 | 122.1° | 54.7° |
| O2 | C5 | C6 | C4 | 115.0° | 120.0° |
| O2 | C5 | C6 | H7 | 118.3° | 120.0° |
| O2 | C5 | C6 | O3 | 178.7° | 180.0° |
| O2 | C5 | C4 | H7 | 114.4° | 120.0° |
| O2 | C5 | C4 | O5 | 113.3° | 180.0° |
| O2 | C5 | C4 | C3 | 120.6° | 60.0° |
| O2 | C5 | C4 | H6 | 2.0° | 60.0° |
| O2 | C5 | C6 | H9 | 61.9° | 60.0° |
| C5 | C6 | O3 | H9 | 118.3° | 120.0° |
| C6 | C5 | C4 | H7 | 126.5° | 120.0° |
| C6 | C5 | C4 | O5 | 5.9° | 60.0° |
| C6 | C5 | C4 | C3 | 120.3° | 179.9° |
| C6 | C5 | C4 | H6 | 121.1° | 60.0° |
| C5 | C6 | C7 | H12 | 86.6° | 55.0° |
| C5 | C6 | C7 | H11 | 32.3° | 65.0° |
| C6 | C5 | O2 | H8 | 162.9° | 60.0° |
| C5 | C6 | O3 | H10 | 55.9° | 60.0° |
| O3 | C6 | C5 | C4 | 66.3° | 60.0° |
| O3 | C6 | C5 | H7 | 60.4° | 59.9° |
| O3 | C6 | C7 | H12 | 35.9° | 175.0° |
| O3 | C6 | C7 | H11 | 154.7° | 55.0° |
| C9 | O6 | C8 | O5 | 28.9° | 54.3° |
| C9 | O6 | C8 | C21 | 91.5° | 65.6° |
| C9 | O6 | C8 | C22 | 151.3° | 174.4° |
| O6 | C9 | C10 | H16 | 57.9° | 175.1° |
| O6 | C9 | H15 | H14 | 118.9° | 120.0° |
| C13 | C12 | C15 | H18 | 120.5° | 119.9° |
| C12 | C13 | C14 | H19 | 118.2° | 120.0° |
| C12 | C13 | C14 | O10 | 122.5° | 174.6° |
| C13 | C12 | C15 | O11 | 28.2° | 60.0° |
| C13 | C12 | C15 | C16 | 94.1° | 180.0° |
| C13 | C12 | C15 | H24 | 144.7° | 60.1° |
| C12 | C13 | O9 | H20 | 180.0° | 60.0° |
| C12 | C13 | C14 | H21 | 117.1° | 54.6° |
| C12 | C13 | C14 | H22 | 2.2° | 65.3° |
| C15 | C12 | C13 | C14 | 79.0° | 177.4° |
| C12 | C15 | O11 | C16 | 128.5° | 120.0° |
| C12 | C15 | O11 | H24 | 115.7° | 120.1° |
| C12 | C15 | C16 | H24 | 121.2° | 120.0° |
| C12 | C15 | C16 | C17 | 70.1° | 175.0° |
| C12 | C15 | C16 | O12 | 167.1° | 55.0° |
| C15 | C12 | C13 | H19 | 39.4° | 62.6° |
| C12 | C15 | O11 | H25 | 180.0° | 59.9° |
| C12 | C15 | C16 | H26 | 49.0° | 65.0° |
| C13 | C14 | O10 | H21 | 120.3° | 120.0° |
| C13 | C14 | O10 | H22 | 120.3° | 120.1° |
| C14 | C13 | C12 | H18 | 41.7° | 62.7° |
| C14 | C13 | O9 | H20 | 55.4° | 60.0° |
| C13 | C14 | H21 | H22 | 119.0° | 120.0° |
| C13 | C14 | O10 | H23 | 180.0° | 175.0° |
| C5 | C4 | O5 | C3 | 129.8° | 120.0° |
| C5 | C4 | O5 | H6 | 114.6° | 120.0° |
| C5 | C4 | C3 | H6 | 118.6° | 120.0° |
| C5 | C4 | O5 | C8 | 155.0° | 178.9° |
| C5 | C4 | C3 | N1 | 70.4° | 62.5° |
| C5 | C4 | C3 | C23 | 165.6° | 177.6° |
| C4 | C5 | C6 | H9 | 53.1° | 60.1° |
| C5 | C4 | C3 | H5 | 49.1° | 57.6° |
| C4 | C5 | O2 | H8 | 67.6° | 60.0° |
| O10 | C14 | C13 | H19 | 119.3° | 54.6° |
| O10 | C14 | H21 | H22 | 119.0° | 120.0° |
| O1 | C2 | C1 | N1 | 169.5° | 180.0° |
| O1 | C2 | N1 | C3 | 54.7° | 0.3° |
| O1 | C2 | N1 | H4 | 125.4° | 180.0° |
| O1 | C2 | C1 | H3 | 0.0° | 90.1° |
| O1 | C2 | C1 | H1 | 120.0° | 30.0° |
| O1 | C2 | C1 | H2 | 120.0° | 150.0° |
| O11 | C15 | C16 | H24 | 116.7° | 120.0° |
| O11 | C15 | C16 | C17 | 167.8° | 55.0° |
| O11 | C15 | C16 | O12 | 45.0° | 65.0° |
| O11 | C15 | C12 | H18 | 148.7° | 59.9° |
| O11 | C15 | C16 | H26 | 73.1° | 175.0° |
| C15 | C16 | C17 | O13 | 93.0° | 120.0° |
| C15 | C16 | C17 | O12 | 120.6° | 120.0° |
| C15 | C16 | C17 | H26 | 119.1° | 120.0° |
| C15 | C16 | O12 | H26 | 117.3° | 120.0° |
| C15 | C16 | C17 | H28 | 86.9° | 60.0° |
| C16 | C15 | C12 | H18 | 26.4° | 60.0° |
| C16 | C15 | O11 | H25 | 51.5° | 60.0° |
| C15 | C16 | O12 | H27 | 111.5° | 60.1° |
| O18 | C21 | C8 | O6 | 104.9° | 1.9° |
| O18 | C21 | C8 | O5 | 20.5° | 118.1° |
| O18 | C21 | C8 | O17 | 179.0° | 179.9° |
| O18 | C21 | C8 | C22 | 140.7° | 121.9° |
| O18 | C21 | O17 | H39 | 0.0° | 0.1° |
| O6 | C8 | O5 | C4 | 54.4° | 58.9° |
| O6 | C8 | O5 | C21 | 120.5° | 120.0° |
| O6 | C8 | O5 | C22 | 119.8° | 120.0° |
| O6 | C8 | C21 | C22 | 114.5° | 120.0° |
| O6 | C8 | C21 | O17 | 74.1° | 178.1° |
| O6 | C8 | C22 | C23 | 100.6° | 62.4° |
| O6 | C8 | C22 | H35 | 20.6° | 57.5° |
| O6 | C8 | C22 | H36 | 138.2° | 177.7° |
| C8 | O6 | C9 | H15 | 21.2° | 54.4° |
| C8 | O6 | C9 | H14 | 140.5° | 65.6° |
| O5 | C4 | C3 | H6 | 116.2° | 120.0° |
| C4 | O5 | C8 | C21 | 175.0° | 178.9° |
| C4 | O5 | C8 | C22 | 65.4° | 61.1° |
| O5 | C4 | C3 | N1 | 164.4° | 177.5° |
| O5 | C4 | C3 | C23 | 40.5° | 57.6° |
| O5 | C4 | C5 | H7 | 132.4° | 60.0° |
| O5 | C4 | C3 | H5 | 76.0° | 62.3° |
| C3 | C4 | O5 | C8 | 75.2° | 61.1° |
| C4 | C3 | N1 | C2 | 30.1° | 155.3° |
| C4 | C3 | N1 | C23 | 127.2° | 119.7° |
| C4 | C3 | N1 | H5 | 119.2° | 120.2° |
| C4 | C3 | C23 | H5 | 116.6° | 120.0° |
| C4 | C3 | C23 | C22 | 1.7° | 57.0° |
| C4 | C3 | C23 | O19 | 121.0° | 62.9° |
| C4 | C3 | N1 | H4 | 149.9° | 25.0° |
| C3 | C4 | C5 | H7 | 6.2° | 59.9° |
| C4 | C3 | C23 | H37 | 122.0° | 176.8° |
| O5 | C8 | C21 | C22 | 120.1° | 120.0° |
| O5 | C8 | C21 | O17 | 160.5° | 62.0° |
| O5 | C8 | C22 | C23 | 25.2° | 57.6° |
| C8 | O5 | C4 | H6 | 40.4° | 58.9° |
| O5 | C8 | C22 | H35 | 146.4° | 177.5° |
| O5 | C8 | C22 | H36 | 96.0° | 62.3° |
| O13 | C17 | C16 | H28 | 180.0° | 180.0° |
| O13 | C17 | C16 | O12 | 27.5° | 0.0° |
| O13 | C17 | C16 | H26 | 147.8° | 120.0° |
| C17 | C16 | O12 | H26 | 119.5° | 120.0° |
| C17 | C16 | C15 | H24 | 51.1° | 65.0° |
| C17 | C16 | O12 | H27 | 11.7° | 60.0° |
| C21 | C8 | C22 | C23 | 143.5° | 177.6° |
| C21 | C8 | C22 | H35 | 95.3° | 62.5° |
| C21 | C8 | C22 | H36 | 22.3° | 57.7° |
| C8 | C21 | O17 | H39 | 179.0° | 180.0° |
| O17 | C21 | C8 | C22 | 40.4° | 58.0° |
| C8 | C22 | C23 | C3 | 5.7° | 57.0° |
| C8 | C22 | C23 | H35 | 121.2° | 119.9° |
| C8 | C22 | C23 | H36 | 121.2° | 119.9° |
| C8 | C22 | C23 | O19 | 129.0° | 62.9° |
| C8 | C22 | H35 | H36 | 116.3° | 120.2° |
| C8 | C22 | C23 | H37 | 114.6° | 176.8° |
| C1 | C2 | N1 | C3 | 136.3° | 179.8° |
| C1 | C2 | N1 | H4 | 43.7° | 0.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | N1 | C3 | H4 | 180.0° | 179.7° |
| C2 | N1 | C3 | C23 | 157.3° | 85.1° |
| N1 | C2 | C1 | H3 | 169.5° | 90.0° |
| N1 | C2 | C1 | H1 | 49.5° | 150.0° |
| N1 | C2 | C1 | H2 | 70.5° | 30.0° |
| C2 | N1 | C3 | H5 | 89.1° | 35.1° |
| O12 | C16 | C15 | H24 | 71.7° | 175.0° |
| O12 | C16 | C17 | H28 | 152.5° | 180.0° |
| N1 | C3 | C23 | H5 | 114.2° | 120.1° |
| N1 | C3 | C23 | C22 | 130.9° | 176.9° |
| N1 | C3 | C23 | O19 | 8.2° | 57.0° |
| N1 | C3 | C4 | H6 | 48.2° | 57.5° |
| N1 | C3 | C23 | H37 | 108.8° | 63.3° |
| C3 | C23 | C22 | O19 | 123.3° | 119.9° |
| C3 | C23 | C22 | H37 | 120.3° | 119.8° |
| C3 | C23 | O19 | H37 | 116.1° | 120.2° |
| C23 | C3 | N1 | H4 | 22.8° | 94.7° |
| C23 | C3 | C4 | H6 | 75.7° | 62.4° |
| C3 | C23 | C22 | H35 | 115.4° | 176.9° |
| C3 | C23 | C22 | H36 | 126.9° | 62.9° |
| C3 | C23 | O19 | H38 | 180.0° | 179.6° |
| C22 | C23 | O19 | H37 | 115.6° | 120.2° |
| C23 | C22 | H35 | H36 | 116.3° | 120.2° |
| C22 | C23 | C3 | H5 | 114.9° | 63.0° |
| C22 | C23 | O19 | H38 | 51.7° | 60.0° |
| O19 | C23 | C22 | H35 | 7.9° | 57.0° |
| O19 | C23 | C22 | H36 | 109.8° | 177.2° |
| O19 | C23 | C3 | H5 | 122.4° | 177.1° |
| H4 | N1 | C3 | H5 | 90.9° | 145.2° |
| H6 | C4 | C5 | H7 | 112.4° | 180.0° |
| H6 | C4 | C3 | H5 | 167.8° | 177.6° |
| H7 | C5 | C6 | H9 | 179.8° | 180.0° |
| H7 | C5 | O2 | H8 | 45.8° | 179.9° |
| H9 | C6 | C7 | H12 | 154.3° | 64.9° |
| H9 | C6 | C7 | H11 | 86.9° | 175.0° |
| H9 | C6 | O3 | H10 | 62.4° | 180.0° |
| H12 | C7 | O4 | H13 | 59.4° | 60.0° |
| H11 | C7 | O4 | H13 | 59.4° | 60.0° |
| H16 | C10 | C20 | H33 | 13.4° | 57.5° |
| H16 | C10 | C9 | H15 | 62.4° | 64.8° |
| H16 | C10 | C9 | H14 | 178.3° | 55.1° |
| H19 | C13 | C12 | H18 | 160.1° | 57.3° |
| H19 | C13 | O9 | H20 | 61.5° | 180.0° |
| H19 | C13 | C14 | H21 | 1.0° | 65.4° |
| H19 | C13 | C14 | H22 | 120.3° | 174.6° |
| H24 | C15 | C12 | H18 | 94.8° | NaN° |
| H24 | C15 | O11 | H25 | 64.4° | 180.0° |
| H24 | C15 | C16 | H26 | 170.2° | 55.0° |
| H28 | C17 | C16 | H26 | 32.2° | 60.0° |
| H33 | C20 | C19 | H31 | 46.6° | 57.0° |
| H33 | C20 | O16 | H34 | 62.7° | 59.9° |
| H35 | C22 | C23 | H37 | 124.3° | 63.3° |
| H36 | C22 | C23 | H37 | 6.6° | 56.9° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H5 | C3 | C23 | H37 | 5.4° | 56.9° |
| H17 | C11 | C18 | H29 | 156.6° | 177.6° |
| H21 | C14 | O10 | H23 | 59.6° | 65.1° |
| H22 | C14 | O10 | H23 | 59.7° | 54.9° |
| H26 | C16 | O12 | H27 | 131.2° | 180.0° |
| H29 | C18 | O14 | H30 | 61.2° | 60.1° |
| H29 | C18 | C19 | H31 | 101.9° | 177.1° |
| H31 | C19 | O15 | H32 | 63.5° | 60.2° |
| H37 | C23 | O19 | H38 | 63.9° | 60.2° |
