PRD_001082
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.38Å | |
| C1 | O2 | sing | 1.35Å | 1.37Å | |
| O2 | C2 | sing | 1.45Å | 1.38Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.46Å | 1.46Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | C14 | sing | 1.47Å | 1.45Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.22Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.23Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| N3 | C18 | sing | 1.47Å | 1.48Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | O7 | sing | 1.34Å | 1.37Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | sing | 1.45Å | 1.38Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| O6 | C20 | doub | 1.21Å | 1.22Å | |
| H23 | C18 | sing | 1.09Å | 1.10Å | |
| H24 | C19 | sing | 1.09Å | 1.10Å | |
| H27 | C21 | sing | 1.09Å | 1.10Å | |
| H29 | C22 | sing | 1.09Å | 1.10Å | |
| H30 | C22 | sing | 1.09Å | 1.10Å | |
| C23 | F1 | sing | 1.40Å | 49.75Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.43Å | |
| C10 | N2 | sing | 1.35Å | 1.33Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| C17 | C23 | sing | 1.51Å | 1.54Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 115.7° | 119.9° |
| O1 | C1 | N1 | 109.5° | 120.1° |
| C1 | O2 | C2 | 117.9° | 117.0° |
| O2 | C1 | N1 | 112.7° | 120.0° |
| O2 | C2 | C3 | 119.4° | 109.5° |
| O2 | C2 | H1 | 106.9° | 109.5° |
| O2 | C2 | H2 | 107.0° | 109.5° |
| C3 | C2 | H1 | 106.9° | 109.4° |
| C3 | C2 | H2 | 106.9° | 109.4° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C2 | C3 | C8 | 120.1° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| C4 | C3 | C8 | 120.4° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | H3 | 120.2° | 120.0° |
| C3 | C8 | C7 | 119.8° | 120.0° |
| C3 | C8 | H7 | 120.1° | 120.0° |
| C5 | C4 | H3 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.0° |
| C4 | C5 | H4 | 120.0° | 120.1° |
| C6 | C5 | H4 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.4° | 120.0° |
| C5 | C6 | H5 | 119.8° | 120.0° |
| C7 | C6 | H5 | 119.8° | 120.0° |
| C6 | C7 | C8 | 119.7° | 120.0° |
| C6 | C7 | H6 | 120.1° | 120.0° |
| C8 | C7 | H6 | 120.2° | 120.0° |
| C7 | C8 | H7 | 120.1° | 120.0° |
| C9 | N1 | H8 | 127.4° | 120.0° |
| N1 | C9 | C10 | 115.7° | 109.5° |
| N1 | C9 | C11 | 112.3° | 109.5° |
| N1 | C9 | H9 | 106.3° | 109.5° |
| C9 | N1 | C1 | 105.2° | 120.0° |
| H8 | N1 | C1 | 127.4° | 120.0° |
| C10 | C9 | C11 | 110.8° | 109.5° |
| C10 | C9 | H9 | 105.6° | 109.4° |
| C9 | C10 | O3 | 122.3° | 120.0° |
| C9 | C10 | N2 | 113.8° | 120.0° |
| C11 | C9 | H9 | 105.4° | 109.4° |
| C9 | C11 | C12 | 109.6° | 109.5° |
| C9 | C11 | C13 | 111.5° | 109.4° |
| C9 | C11 | H10 | 108.3° | 109.5° |
| O3 | C10 | N2 | 123.9° | 120.1° |
| C12 | C11 | C13 | 109.9° | 109.4° |
| C12 | C11 | H10 | 109.0° | 109.5° |
| C11 | C12 | H11 | 109.5° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.4° |
| C13 | C11 | H10 | 108.5° | 109.5° |
| C11 | C13 | H14 | 109.5° | 109.5° |
| C11 | C13 | H15 | 109.4° | 109.5° |
| C11 | C13 | H16 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H11 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.4° | 109.5° |
| H14 | C13 | H16 | 109.4° | 109.4° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| C14 | N2 | H17 | 118.7° | 120.0° |
| N2 | C14 | C15 | 111.6° | 109.5° |
| N2 | C14 | C16 | 109.4° | 109.5° |
| N2 | C14 | H18 | 108.8° | 109.5° |
| C14 | N2 | C10 | 122.7° | 120.0° |
| H17 | N2 | C10 | 118.7° | 120.1° |
| C15 | C14 | C16 | 111.2° | 109.4° |
| C15 | C14 | H18 | 107.8° | 109.5° |
| C14 | C15 | O4 | 119.9° | 120.0° |
| C14 | C15 | N3 | 116.2° | 120.0° |
| C16 | C14 | H18 | 108.0° | 109.5° |
| C14 | C16 | H19 | 109.5° | 109.5° |
| C14 | C16 | H20 | 109.4° | 109.5° |
| C14 | C16 | H21 | 109.5° | 109.5° |
| O4 | C15 | N3 | 123.9° | 120.1° |
| H19 | C16 | H20 | 109.4° | 109.5° |
| H19 | C16 | H21 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.4° |
| O5 | C17 | C18 | 123.8° | 120.0° |
| O5 | C17 | C23 | 134.9° | 120.0° |
| H22 | N3 | C18 | 117.3° | 120.0° |
| H22 | N3 | C15 | 117.3° | 120.0° |
| N3 | C18 | C17 | 114.5° | 109.5° |
| N3 | C18 | C19 | 113.9° | 109.5° |
| N3 | C18 | H23 | 104.4° | 109.5° |
| C18 | N3 | C15 | 125.3° | 120.0° |
| C17 | C18 | C19 | 114.1° | 109.5° |
| C17 | C18 | H23 | 104.2° | 109.4° |
| C18 | C17 | C23 | 101.3° | 120.0° |
| C18 | C19 | H25 | 105.9° | 109.5° |
| C18 | C19 | C21 | 123.3° | 109.5° |
| C19 | C18 | H23 | 104.1° | 109.5° |
| C18 | C19 | H24 | 105.9° | 109.5° |
| H25 | C19 | C21 | 105.9° | 109.4° |
| H25 | C19 | H24 | 109.5° | 109.5° |
| C19 | C21 | C20 | 121.0° | 109.4° |
| C19 | C21 | H26 | 106.5° | 109.5° |
| C21 | C19 | H24 | 105.9° | 109.5° |
| C19 | C21 | H27 | 106.5° | 109.5° |
| O7 | C20 | C21 | 119.5° | 119.9° |
| C20 | O7 | C22 | 120.0° | 117.0° |
| O7 | C20 | O6 | 120.0° | 120.0° |
| C20 | C21 | H26 | 106.5° | 109.5° |
| C21 | C20 | O6 | 119.9° | 120.0° |
| C20 | C21 | H27 | 106.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| O7 | C22 | H28 | 109.5° | 109.5° |
| O7 | C22 | H29 | 109.5° | 109.4° |
| O7 | C22 | H30 | 109.4° | 109.5° |
| H28 | C22 | H29 | 109.5° | 109.4° |
| H28 | C22 | H30 | 109.5° | 109.6° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| F1 | C23 | H31 | 98.6° | 109.4° |
| F1 | C23 | H32 | 98.6° | 109.4° |
| F1 | C23 | C17 | 149.8° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.4° |
| H31 | C23 | C17 | 98.7° | 109.5° |
| H32 | C23 | C17 | 98.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 127.0° | 179.7° |
| O1 | C1 | O2 | C2 | 51.4° | 0.0° |
| O1 | C1 | N1 | C9 | 25.6° | 0.1° |
| O1 | C1 | N1 | H8 | 154.4° | 180.0° |
| C1 | O2 | C2 | C3 | 117.0° | 180.0° |
| C1 | O2 | C2 | H1 | 4.4° | 60.0° |
| C1 | O2 | C2 | H2 | 121.6° | 60.0° |
| O2 | C1 | N1 | C9 | 155.8° | 179.8° |
| O2 | C1 | N1 | H8 | 24.2° | 0.3° |
| O2 | C2 | C3 | H1 | 121.4° | 120.0° |
| O2 | C2 | C3 | H2 | 121.4° | 120.1° |
| O2 | C2 | H1 | H2 | 115.5° | 120.0° |
| O2 | C2 | C3 | C4 | 73.8° | 90.0° |
| O2 | C2 | C3 | C8 | 106.7° | 90.3° |
| C2 | O2 | C1 | N1 | 178.4° | 179.7° |
| C3 | C2 | H1 | H2 | 115.5° | 119.9° |
| C2 | C3 | C4 | C8 | 179.4° | 179.8° |
| C2 | C3 | C4 | C5 | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 0.0° | 0.0° |
| C2 | C3 | C8 | C7 | 179.9° | 179.7° |
| C2 | C3 | C8 | H7 | 0.2° | 0.0° |
| H1 | C2 | C3 | C4 | 164.8° | 30.0° |
| H1 | C2 | C3 | C8 | 14.7° | 149.7° |
| H2 | C2 | C3 | C4 | 47.6° | 150.0° |
| H2 | C2 | C3 | C8 | 131.9° | 29.8° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C3 | C4 | C5 | H4 | 179.7° | 180.0° |
| C4 | C3 | C8 | C7 | 0.4° | 0.5° |
| C4 | C3 | C8 | H7 | 179.6° | 179.8° |
| C8 | C3 | C4 | C5 | 0.5° | 0.3° |
| C8 | C3 | C4 | H3 | 179.5° | 179.7° |
| C3 | C8 | C7 | C6 | 0.1° | 0.5° |
| C3 | C8 | C7 | H7 | 180.0° | 179.7° |
| C3 | C8 | C7 | H6 | 179.9° | 179.7° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| H3 | C4 | C5 | C6 | 179.7° | 179.9° |
| H3 | C4 | C5 | H4 | 0.3° | 0.0° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.1° | 0.3° |
| C5 | C6 | C7 | H6 | 179.9° | 180.0° |
| H4 | C5 | C6 | C7 | 180.0° | 180.0° |
| H4 | C5 | C6 | H5 | 0.0° | 0.1° |
| C6 | C7 | C8 | H6 | 180.0° | 179.8° |
| C6 | C7 | C8 | H7 | 179.9° | 179.8° |
| H5 | C6 | C7 | C8 | 179.9° | 179.8° |
| H5 | C6 | C7 | H6 | 0.1° | 0.1° |
| H6 | C7 | C8 | H7 | 0.1° | 0.0° |
| C9 | N1 | H8 | C1 | 180.0° | 179.9° |
| N1 | C9 | C10 | C11 | 129.2° | 120.0° |
| N1 | C9 | C10 | H9 | 117.2° | 120.0° |
| N1 | C9 | C11 | H9 | 115.3° | 120.1° |
| N1 | C9 | C10 | O3 | 36.3° | 22.5° |
| N1 | C9 | C11 | C12 | 43.2° | 65.5° |
| N1 | C9 | C11 | C13 | 78.8° | 54.5° |
| N1 | C9 | C11 | H10 | 161.9° | 174.4° |
| N1 | C9 | C10 | N2 | 145.8° | 157.5° |
| H8 | N1 | C9 | C10 | 82.0° | 25.0° |
| H8 | N1 | C9 | C11 | 46.5° | 95.0° |
| H8 | N1 | C9 | H9 | 161.2° | 145.0° |
| C10 | C9 | C11 | H9 | 113.7° | 119.9° |
| C9 | C10 | O3 | N2 | 177.7° | 180.0° |
| C10 | C9 | C11 | C12 | 174.2° | 174.5° |
| C10 | C9 | C11 | C13 | 52.2° | 65.5° |
| C10 | C9 | C11 | H10 | 67.1° | 54.4° |
| C9 | C10 | N2 | C14 | 178.8° | 175.1° |
| C9 | C10 | N2 | H17 | 1.2° | 4.9° |
| C10 | C9 | N1 | C1 | 98.0° | 155.0° |
| C11 | C9 | C10 | O3 | 92.9° | 97.6° |
| C9 | C11 | C12 | C13 | 122.9° | 120.0° |
| C9 | C11 | C12 | H10 | 118.3° | 120.0° |
| C9 | C11 | C13 | H10 | 119.2° | 120.0° |
| C9 | C11 | C12 | H11 | 180.0° | 60.0° |
| C9 | C11 | C12 | H12 | 60.0° | 180.0° |
| C9 | C11 | C12 | H13 | 60.0° | 60.0° |
| C9 | C11 | C13 | H14 | 180.0° | 55.1° |
| C9 | C11 | C13 | H15 | 60.0° | 64.9° |
| C9 | C11 | C13 | H16 | 60.0° | 175.1° |
| C11 | C9 | N1 | C1 | 133.5° | 85.0° |
| C11 | C9 | C10 | N2 | 84.9° | 82.5° |
| H9 | C9 | C10 | O3 | 153.5° | 142.5° |
| H9 | C9 | C11 | C12 | 72.2° | 54.5° |
| H9 | C9 | C11 | C13 | 165.9° | 174.5° |
| H9 | C9 | C11 | H10 | 46.6° | 65.5° |
| H9 | C9 | N1 | C1 | 18.8° | 35.0° |
| H9 | C9 | C10 | N2 | 28.6° | 37.5° |
| O3 | C10 | N2 | C14 | 3.4° | 4.8° |
| O3 | C10 | N2 | H17 | 176.6° | 175.1° |
| C12 | C11 | C13 | H10 | 119.1° | 120.0° |
| C11 | C12 | H11 | H12 | 120.0° | 120.0° |
| C11 | C12 | H11 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H13 | 120.0° | 120.0° |
| C12 | C11 | C13 | H14 | 58.3° | 64.9° |
| C12 | C11 | C13 | H15 | 61.7° | 175.1° |
| C12 | C11 | C13 | H16 | 178.3° | 55.1° |
| C13 | C11 | C12 | H11 | 57.1° | 60.0° |
| C13 | C11 | C12 | H12 | 177.1° | 60.0° |
| C13 | C11 | C12 | H13 | 62.9° | 180.0° |
| C11 | C13 | H14 | H15 | 120.0° | 120.0° |
| C11 | C13 | H14 | H16 | 120.1° | 120.0° |
| C11 | C13 | H15 | H16 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 61.6° | 180.0° |
| H10 | C11 | C12 | H12 | 58.3° | 59.9° |
| H10 | C11 | C12 | H13 | 178.3° | 60.0° |
| H10 | C11 | C13 | H14 | 60.8° | 175.1° |
| H10 | C11 | C13 | H15 | 179.2° | 55.1° |
| H10 | C11 | C13 | H16 | 59.2° | 64.9° |
| H11 | C12 | H12 | H13 | 120.0° | 120.0° |
| H14 | C13 | H15 | H16 | 120.0° | 120.0° |
| C14 | N2 | H17 | C10 | 180.0° | 180.0° |
| N2 | C14 | C15 | C16 | 122.4° | 120.0° |
| N2 | C14 | C15 | H18 | 119.4° | 120.0° |
| N2 | C14 | C16 | H18 | 118.2° | 120.0° |
| N2 | C14 | C15 | O4 | 167.3° | 0.1° |
| N2 | C14 | C16 | H19 | 180.0° | 60.0° |
| N2 | C14 | C16 | H20 | 60.0° | 180.0° |
| N2 | C14 | C16 | H21 | 60.0° | 60.0° |
| N2 | C14 | C15 | N3 | 11.6° | 180.0° |
| H17 | N2 | C14 | C15 | 82.8° | 25.0° |
| H17 | N2 | C14 | C16 | 40.7° | 95.0° |
| H17 | N2 | C14 | H18 | 158.4° | 145.0° |
| C15 | C14 | C16 | H18 | 118.1° | 120.0° |
| C14 | C15 | O4 | N3 | 178.8° | 179.9° |
| C15 | C14 | C16 | H19 | 56.3° | 60.0° |
| C15 | C14 | C16 | H20 | 176.3° | 60.0° |
| C15 | C14 | C16 | H21 | 63.7° | 180.0° |
| C14 | C15 | N3 | H22 | 1.4° | 0.1° |
| C14 | C15 | N3 | C18 | 178.6° | 180.0° |
| C15 | C14 | N2 | C10 | 97.2° | 155.0° |
| C16 | C14 | C15 | O4 | 70.3° | 120.1° |
| C14 | C16 | H19 | H20 | 120.0° | 120.1° |
| C14 | C16 | H19 | H21 | 120.0° | 120.0° |
| C14 | C16 | H20 | H21 | 120.0° | 120.0° |
| C16 | C14 | N2 | C10 | 139.3° | 85.0° |
| C16 | C14 | C15 | N3 | 110.9° | 60.0° |
| H18 | C14 | C15 | O4 | 47.9° | 120.0° |
| H18 | C14 | C16 | H19 | 61.8° | 179.9° |
| H18 | C14 | C16 | H20 | 58.2° | 60.0° |
| H18 | C14 | C16 | H21 | 178.2° | 60.0° |
| H18 | C14 | N2 | C10 | 21.6° | 35.0° |
| H18 | C14 | C15 | N3 | 131.0° | 59.9° |
| O4 | C15 | N3 | H22 | 179.8° | 180.0° |
| O4 | C15 | N3 | C18 | 0.2° | 0.1° |
| H19 | C16 | H20 | H21 | 120.0° | 120.0° |
| O5 | C17 | C18 | N3 | 75.6° | 15.0° |
| O5 | C17 | C18 | C23 | 177.7° | 180.0° |
| O5 | C17 | C18 | C19 | 58.2° | 105.0° |
| O5 | C17 | C18 | H23 | 171.0° | 135.0° |
| O5 | C17 | C23 | F1 | 5.2° | 0.0° |
| O5 | C17 | C23 | H31 | 129.5° | 120.0° |
| O5 | C17 | C23 | H32 | 119.1° | 120.0° |
| H22 | N3 | C18 | C15 | 180.0° | 179.9° |
| H22 | N3 | C18 | C17 | 141.0° | 95.0° |
| H22 | N3 | C18 | C19 | 85.1° | 25.1° |
| H22 | N3 | C18 | H23 | 27.8° | 145.0° |
| N3 | C18 | C17 | C19 | 133.8° | 120.0° |
| N3 | C18 | C17 | H23 | 113.4° | 120.0° |
| N3 | C18 | C19 | H23 | 113.1° | 120.0° |
| N3 | C18 | C19 | H25 | 100.3° | 175.0° |
| N3 | C18 | C19 | C21 | 137.8° | 65.0° |
| N3 | C18 | C19 | H24 | 15.9° | 55.0° |
| N3 | C18 | C17 | C23 | 106.7° | 165.0° |
| C17 | C18 | C19 | H23 | 112.9° | 120.0° |
| C17 | C18 | C19 | H25 | 125.6° | 55.0° |
| C17 | C18 | C19 | C21 | 3.7° | 175.0° |
| C17 | C18 | C19 | H24 | 118.1° | 65.0° |
| C18 | C17 | C23 | F1 | 172.1° | 180.0° |
| C18 | C17 | C23 | H31 | 47.8° | 60.0° |
| C18 | C17 | C23 | H32 | 63.6° | 60.0° |
| C17 | C18 | N3 | C15 | 38.9° | 84.9° |
| C18 | C19 | H25 | C21 | 132.4° | 120.0° |
| C18 | C19 | H25 | H24 | 113.8° | 120.0° |
| C18 | C19 | C21 | H24 | 121.9° | 120.0° |
| C18 | C19 | C21 | C20 | 63.5° | 180.0° |
| C18 | C19 | C21 | H26 | 174.9° | 60.0° |
| C18 | C19 | C21 | H27 | 58.1° | 60.0° |
| C19 | C18 | N3 | C15 | 94.9° | 155.0° |
| C19 | C18 | C17 | C23 | 119.6° | 75.0° |
| H25 | C19 | C21 | H24 | 116.2° | 120.0° |
| H25 | C19 | C21 | C20 | 58.4° | 60.0° |
| H25 | C19 | C21 | H26 | 63.2° | 60.0° |
| H25 | C19 | C18 | H23 | 12.7° | 64.9° |
| H25 | C19 | C21 | H27 | 180.0° | 180.0° |
| C19 | C21 | C20 | O7 | 3.3° | 180.0° |
| C19 | C21 | C20 | H26 | 121.6° | 120.0° |
| C19 | C21 | C20 | H27 | 121.6° | 120.0° |
| C19 | C21 | H26 | H27 | 114.8° | 120.0° |
| C19 | C21 | C20 | O6 | 167.8° | 0.0° |
| C21 | C19 | C18 | H23 | 109.1° | 55.0° |
| O7 | C20 | C21 | O6 | 171.1° | 180.0° |
| O7 | C20 | C21 | H26 | 118.3° | 60.0° |
| C20 | O7 | C22 | H28 | 180.0° | 180.0° |
| O7 | C20 | C21 | H27 | 124.9° | 60.0° |
| C20 | O7 | C22 | H29 | 60.0° | 60.1° |
| C20 | O7 | C22 | H30 | 60.0° | 59.9° |
| C20 | C21 | H26 | H27 | 114.8° | 120.0° |
| C21 | C20 | O7 | C22 | 156.3° | 180.0° |
| C20 | C21 | C19 | H24 | 174.6° | 60.0° |
| H26 | C21 | C20 | O6 | 70.6° | 120.0° |
| H26 | C21 | C19 | H24 | 53.0° | 180.0° |
| O7 | C22 | H28 | H29 | 120.0° | 119.9° |
| O7 | C22 | H28 | H30 | 120.0° | 120.1° |
| C22 | O7 | C20 | O6 | 14.8° | 0.0° |
| O7 | C22 | H29 | H30 | 120.0° | 120.0° |
| H28 | C22 | H29 | H30 | 120.0° | 120.1° |
| O6 | C20 | C21 | H27 | 46.2° | 120.0° |
| H23 | C18 | C19 | H24 | 129.0° | 175.0° |
| H23 | C18 | N3 | C15 | 152.2° | 35.0° |
| H23 | C18 | C17 | C23 | 6.7° | 45.0° |
| H24 | C19 | C21 | H27 | 63.8° | 60.0° |
| F1 | C23 | H31 | H32 | 102.4° | 119.9° |
| F1 | C23 | H31 | C17 | 155.1° | 120.0° |
| F1 | C23 | H32 | C17 | 155.1° | 120.0° |
| H31 | C23 | H32 | C17 | 102.4° | 120.1° |
