PRD_001251
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.43Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | C5 | sing | 1.53Å | 1.50Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.20Å | |
| C5 | C6 | sing | 1.51Å | 1.47Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | C12 | sing | 1.46Å | 1.43Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C12 | C14 | sing | 1.53Å | 1.50Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | O3 | doub | 1.21Å | 1.19Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | C15 | sing | 1.46Å | 1.44Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | O4 | doub | 1.21Å | 1.18Å | |
| C17 | O5 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| O5 | H21 | sing | 0.97Å | 0.95Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | C19 | sing | 1.47Å | 1.43Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | O6 | doub | 1.21Å | 1.44Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | CL1 | sing | 1.80Å | 64.78Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.31Å | |
| C4 | N2 | sing | 1.35Å | 1.31Å | |
| C13 | N3 | sing | 1.35Å | 1.32Å | |
| C16 | N4 | sing | 1.35Å | 1.28Å | |
| C20 | C22 | sing | 1.51Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.6° | 120.0° |
| O1 | C1 | N1 | 125.4° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 113.0° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.4° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 115.9° | 120.0° |
| N1 | C3 | C4 | 115.3° | 109.5° |
| N1 | C3 | C5 | 101.8° | 109.5° |
| N1 | C3 | H5 | 111.6° | 109.4° |
| C3 | N1 | C1 | 128.2° | 120.0° |
| H4 | N1 | C1 | 115.9° | 120.0° |
| C4 | C3 | C5 | 106.1° | 109.5° |
| C4 | C3 | H5 | 110.9° | 109.5° |
| C3 | C4 | O2 | 119.9° | 120.0° |
| C3 | C4 | N2 | 118.2° | 120.0° |
| C5 | C3 | H5 | 110.7° | 109.5° |
| C3 | C5 | C6 | 112.2° | 109.5° |
| C3 | C5 | H6 | 108.8° | 109.4° |
| C3 | C5 | H7 | 108.8° | 109.5° |
| O2 | C4 | N2 | 121.8° | 120.0° |
| C6 | C5 | H6 | 108.8° | 109.4° |
| C6 | C5 | H7 | 108.8° | 109.5° |
| C5 | C6 | C7 | 119.4° | 120.0° |
| C5 | C6 | C8 | 118.4° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 122.2° | 120.0° |
| C6 | C7 | C9 | 118.4° | 120.0° |
| C6 | C7 | H8 | 120.8° | 120.0° |
| C6 | C8 | C10 | 119.3° | 120.0° |
| C6 | C8 | H9 | 120.4° | 120.0° |
| C9 | C7 | H8 | 120.8° | 120.0° |
| C7 | C9 | C11 | 119.7° | 120.0° |
| C7 | C9 | H10 | 120.2° | 120.0° |
| C10 | C8 | H9 | 120.4° | 120.0° |
| C8 | C10 | C11 | 119.4° | 120.0° |
| C8 | C10 | H11 | 120.3° | 120.0° |
| C11 | C9 | H10 | 120.1° | 120.0° |
| C9 | C11 | C10 | 121.1° | 120.0° |
| C9 | C11 | H12 | 119.5° | 120.0° |
| C11 | C10 | H11 | 120.3° | 120.0° |
| C10 | C11 | H12 | 119.5° | 120.0° |
| C12 | N2 | H13 | 119.5° | 120.0° |
| N2 | C12 | C13 | 107.0° | 109.4° |
| N2 | C12 | C14 | 107.4° | 109.5° |
| N2 | C12 | H14 | 111.0° | 109.5° |
| C12 | N2 | C4 | 121.0° | 120.0° |
| H13 | N2 | C4 | 119.5° | 120.0° |
| C13 | C12 | C14 | 111.2° | 109.5° |
| C13 | C12 | H14 | 110.2° | 109.4° |
| C12 | C13 | O3 | 117.1° | 120.0° |
| C12 | C13 | N3 | 120.5° | 120.0° |
| C14 | C12 | H14 | 109.9° | 109.5° |
| C12 | C14 | H15 | 109.5° | 109.5° |
| C12 | C14 | H16 | 109.5° | 109.5° |
| C12 | C14 | H17 | 109.5° | 109.5° |
| O3 | C13 | N3 | 122.3° | 120.0° |
| H15 | C14 | H16 | 109.5° | 109.4° |
| H15 | C14 | H17 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| C15 | N3 | H18 | 119.8° | 120.0° |
| N3 | C15 | C16 | 110.3° | 109.5° |
| N3 | C15 | C17 | 113.1° | 109.5° |
| N3 | C15 | H19 | 107.5° | 109.5° |
| C15 | N3 | C13 | 120.4° | 120.0° |
| H18 | N3 | C13 | 119.8° | 120.0° |
| C16 | C15 | C17 | 112.0° | 109.5° |
| C16 | C15 | H19 | 106.9° | 109.4° |
| C15 | C16 | O4 | 121.2° | 120.0° |
| C15 | C16 | N4 | 115.3° | 120.0° |
| C17 | C15 | H19 | 106.6° | 109.5° |
| C15 | C17 | O5 | 109.9° | 109.5° |
| C15 | C17 | C18 | 112.5° | 109.5° |
| C15 | C17 | H20 | 108.2° | 109.5° |
| O4 | C16 | N4 | 123.5° | 120.0° |
| O5 | C17 | C18 | 108.3° | 109.5° |
| O5 | C17 | H20 | 109.5° | 109.4° |
| C17 | O5 | H21 | 109.5° | 114.0° |
| C18 | C17 | H20 | 108.5° | 109.4° |
| C17 | C18 | H22 | 109.5° | 109.4° |
| C17 | C18 | H23 | 109.5° | 109.4° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| C19 | N4 | H25 | 117.7° | 120.0° |
| N4 | C19 | C20 | 110.9° | 109.4° |
| N4 | C19 | C21 | 108.6° | 109.5° |
| N4 | C19 | H26 | 109.4° | 109.4° |
| C19 | N4 | C16 | 124.6° | 119.9° |
| H25 | N4 | C16 | 117.8° | 120.1° |
| C20 | C19 | C21 | 111.5° | 109.5° |
| C20 | C19 | H26 | 108.1° | 109.5° |
| C19 | C20 | O6 | 115.6° | 120.0° |
| C19 | C20 | C22 | 104.9° | 120.0° |
| C21 | C19 | H26 | 108.2° | 109.5° |
| C19 | C21 | H27 | 109.5° | 109.4° |
| C19 | C21 | H28 | 109.5° | 109.5° |
| C19 | C21 | H29 | 109.4° | 109.5° |
| O6 | C20 | C22 | 102.6° | 120.0° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H29 | 109.5° | 109.4° |
| H28 | C21 | H29 | 109.5° | 109.6° |
| CL1 | C22 | H30 | 109.4° | 109.5° |
| CL1 | C22 | H31 | 109.4° | 109.5° |
| CL1 | C22 | C20 | 109.7° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H30 | C22 | C20 | 109.4° | 109.5° |
| H31 | C22 | C20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.1° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 5.3° | 0.0° |
| O1 | C1 | N1 | H4 | 174.7° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 175.6° | 179.8° |
| C2 | C1 | N1 | H4 | 4.4° | 0.2° |
| H1 | C2 | H2 | H3 | 119.9° | 120.1° |
| H1 | C2 | C1 | N1 | 179.1° | 179.7° |
| H2 | C2 | C1 | N1 | 59.1° | 59.8° |
| H3 | C2 | C1 | N1 | 60.9° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 111.8° | 120.0° |
| N1 | C3 | C4 | H5 | 128.1° | 119.9° |
| N1 | C3 | C5 | H5 | 118.8° | 119.9° |
| N1 | C3 | C4 | O2 | 64.7° | 20.0° |
| N1 | C3 | C5 | C6 | 146.2° | 65.0° |
| N1 | C3 | C5 | H6 | 25.8° | 55.0° |
| N1 | C3 | C5 | H7 | 93.4° | 175.0° |
| N1 | C3 | C4 | N2 | 118.7° | 160.0° |
| H4 | N1 | C3 | C4 | 125.3° | 120.0° |
| H4 | N1 | C3 | C5 | 11.0° | 119.9° |
| H4 | N1 | C3 | H5 | 107.0° | 0.1° |
| C4 | C3 | C5 | H5 | 120.3° | 120.0° |
| C3 | C4 | O2 | N2 | 176.5° | 180.0° |
| C4 | C3 | C5 | C6 | 92.9° | 175.0° |
| C4 | C3 | C5 | H6 | 146.7° | 65.0° |
| C4 | C3 | C5 | H7 | 27.5° | 55.0° |
| C3 | C4 | N2 | C12 | 158.2° | 180.0° |
| C3 | C4 | N2 | H13 | 21.8° | 0.0° |
| C4 | C3 | N1 | C1 | 54.7° | 60.0° |
| C5 | C3 | C4 | O2 | 47.1° | 100.0° |
| C3 | C5 | C6 | H6 | 120.4° | 119.9° |
| C3 | C5 | C6 | H7 | 120.4° | 120.0° |
| C3 | C5 | H6 | H7 | 118.7° | 120.0° |
| C3 | C5 | C6 | C7 | 120.5° | 89.9° |
| C3 | C5 | C6 | C8 | 61.0° | 90.3° |
| C5 | C3 | N1 | C1 | 169.0° | 60.0° |
| C5 | C3 | C4 | N2 | 129.6° | 80.0° |
| H5 | C3 | C4 | O2 | 167.2° | 139.9° |
| H5 | C3 | C5 | C6 | 27.4° | 55.0° |
| H5 | C3 | C5 | H6 | 93.0° | 174.9° |
| H5 | C3 | C5 | H7 | 147.8° | 65.1° |
| H5 | C3 | N1 | C1 | 73.0° | 180.0° |
| H5 | C3 | C4 | N2 | 9.4° | 40.1° |
| O2 | C4 | N2 | C12 | 18.4° | 0.0° |
| O2 | C4 | N2 | H13 | 161.6° | 180.0° |
| C6 | C5 | H6 | H7 | 118.7° | 120.0° |
| C5 | C6 | C7 | C8 | 178.5° | 179.8° |
| C5 | C6 | C7 | C9 | 179.0° | 180.0° |
| C5 | C6 | C7 | H8 | 1.0° | 0.0° |
| C5 | C6 | C8 | C10 | 178.8° | 180.0° |
| C5 | C6 | C8 | H9 | 1.2° | 0.0° |
| H6 | C5 | C6 | C7 | 119.1° | 30.0° |
| H6 | C5 | C6 | C8 | 59.5° | 149.8° |
| H7 | C5 | C6 | C7 | 0.1° | 150.0° |
| H7 | C5 | C6 | C8 | 178.7° | 29.8° |
| C6 | C7 | C9 | H8 | 180.0° | 180.0° |
| C7 | C6 | C8 | C10 | 0.3° | 0.2° |
| C7 | C6 | C8 | H9 | 179.7° | 179.7° |
| C6 | C7 | C9 | C11 | 0.8° | NaN° |
| C6 | C7 | C9 | H10 | 179.2° | 180.0° |
| C8 | C6 | C7 | C9 | 0.5° | 0.2° |
| C8 | C6 | C7 | H8 | 179.5° | 179.8° |
| C6 | C8 | C10 | H9 | 180.0° | 180.0° |
| C6 | C8 | C10 | C11 | 0.4° | 0.0° |
| C6 | C8 | C10 | H11 | 179.6° | 180.0° |
| C7 | C9 | C11 | H10 | 180.0° | 180.0° |
| C7 | C9 | C11 | C10 | 1.0° | 0.2° |
| C7 | C9 | C11 | H12 | 179.0° | 180.0° |
| H8 | C7 | C9 | C11 | 179.2° | 180.0° |
| H8 | C7 | C9 | H10 | 0.8° | 0.0° |
| C8 | C10 | C11 | C9 | 0.7° | 0.2° |
| C8 | C10 | C11 | H11 | 180.0° | 180.0° |
| C8 | C10 | C11 | H12 | 179.2° | 180.0° |
| H9 | C8 | C10 | C11 | 179.6° | 180.0° |
| H9 | C8 | C10 | H11 | 0.4° | 0.0° |
| C9 | C11 | C10 | H12 | 180.0° | 179.8° |
| C9 | C11 | C10 | H11 | 179.3° | 179.7° |
| H10 | C9 | C11 | C10 | 179.0° | 179.8° |
| H10 | C9 | C11 | H12 | 1.0° | 0.0° |
| H11 | C10 | C11 | H12 | 0.8° | 0.0° |
| C12 | N2 | H13 | C4 | 180.0° | 180.0° |
| N2 | C12 | C13 | C14 | 117.0° | 120.0° |
| N2 | C12 | C13 | H14 | 120.8° | 120.0° |
| N2 | C12 | C14 | H14 | 120.9° | 120.0° |
| N2 | C12 | C13 | O3 | 46.1° | 0.0° |
| N2 | C12 | C14 | H15 | 180.0° | 60.0° |
| N2 | C12 | C14 | H16 | 60.0° | 179.9° |
| N2 | C12 | C14 | H17 | 60.0° | 60.0° |
| N2 | C12 | C13 | N3 | 130.3° | 180.0° |
| H13 | N2 | C12 | C13 | 98.1° | 25.0° |
| H13 | N2 | C12 | C14 | 21.4° | 95.0° |
| H13 | N2 | C12 | H14 | 141.6° | 145.0° |
| C13 | C12 | C14 | H14 | 122.3° | 120.0° |
| C12 | C13 | O3 | N3 | 176.3° | 180.0° |
| C13 | C12 | C14 | H15 | 63.2° | 60.0° |
| C13 | C12 | C14 | H16 | 176.8° | 60.0° |
| C13 | C12 | C14 | H17 | 56.8° | 180.0° |
| C12 | C13 | N3 | C15 | 179.5° | 180.0° |
| C12 | C13 | N3 | H18 | 0.5° | 0.0° |
| C13 | C12 | N2 | C4 | 81.9° | 155.0° |
| C14 | C12 | C13 | O3 | 70.9° | 120.0° |
| C12 | C14 | H15 | H16 | 120.0° | 120.0° |
| C12 | C14 | H15 | H17 | 120.0° | 120.0° |
| C12 | C14 | H16 | H17 | 120.0° | 120.0° |
| C14 | C12 | N2 | C4 | 158.6° | 85.0° |
| C14 | C12 | C13 | N3 | 112.7° | 60.0° |
| H14 | C12 | C13 | O3 | 167.0° | 120.0° |
| H14 | C12 | C14 | H15 | 59.1° | 179.9° |
| H14 | C12 | C14 | H16 | 60.9° | 60.0° |
| H14 | C12 | C14 | H17 | 179.1° | 60.0° |
| H14 | C12 | N2 | C4 | 38.4° | 35.0° |
| H14 | C12 | C13 | N3 | 9.4° | 60.0° |
| O3 | C13 | N3 | C15 | 4.3° | 0.0° |
| O3 | C13 | N3 | H18 | 175.7° | 180.0° |
| H15 | C14 | H16 | H17 | 120.0° | 120.0° |
| C15 | N3 | H18 | C13 | 180.0° | 180.0° |
| N3 | C15 | C16 | C17 | 127.0° | 120.0° |
| N3 | C15 | C16 | H19 | 116.6° | 120.0° |
| N3 | C15 | C17 | H19 | 118.0° | 120.1° |
| N3 | C15 | C16 | O4 | 37.8° | 0.0° |
| N3 | C15 | C17 | O5 | 171.7° | 65.0° |
| N3 | C15 | C17 | C18 | 67.6° | 55.1° |
| N3 | C15 | C17 | H20 | 52.2° | 175.0° |
| N3 | C15 | C16 | N4 | 140.4° | 180.0° |
| H18 | N3 | C15 | C16 | 85.1° | 25.0° |
| H18 | N3 | C15 | C17 | 41.3° | 95.0° |
| H18 | N3 | C15 | H19 | 158.7° | 145.0° |
| C16 | C15 | C17 | H19 | 116.6° | 120.0° |
| C15 | C16 | O4 | N4 | 178.0° | 180.0° |
| C16 | C15 | C17 | O5 | 62.9° | 55.0° |
| C16 | C15 | C17 | C18 | 57.8° | 175.0° |
| C16 | C15 | C17 | H20 | 177.7° | 65.0° |
| C15 | C16 | N4 | C19 | 179.3° | 180.0° |
| C15 | C16 | N4 | H25 | 0.7° | 0.0° |
| C16 | C15 | N3 | C13 | 94.9° | 155.0° |
| C17 | C15 | C16 | O4 | 89.2° | 119.9° |
| C15 | C17 | O5 | C18 | 123.3° | 120.0° |
| C15 | C17 | O5 | H20 | 118.7° | 120.0° |
| C15 | C17 | C18 | H20 | 119.7° | 120.0° |
| C15 | C17 | O5 | H21 | 180.0° | 60.0° |
| C15 | C17 | C18 | H22 | 180.0° | 60.1° |
| C15 | C17 | C18 | H23 | 60.0° | 180.0° |
| C15 | C17 | C18 | H24 | 60.0° | 60.0° |
| C17 | C15 | N3 | C13 | 138.7° | 85.0° |
| C17 | C15 | C16 | N4 | 92.7° | 60.0° |
| H19 | C15 | C16 | O4 | 154.4° | 120.1° |
| H19 | C15 | C17 | O5 | 53.7° | 174.9° |
| H19 | C15 | C17 | C18 | 174.4° | 65.0° |
| H19 | C15 | C17 | H20 | 65.7° | 54.9° |
| H19 | C15 | N3 | C13 | 21.3° | 35.1° |
| H19 | C15 | C16 | N4 | 23.7° | 60.0° |
| O4 | C16 | N4 | C19 | 2.6° | 0.0° |
| O4 | C16 | N4 | H25 | 177.4° | 179.9° |
| O5 | C17 | C18 | H20 | 118.7° | 120.0° |
| O5 | C17 | C18 | H22 | 58.4° | 60.0° |
| O5 | C17 | C18 | H23 | 178.4° | 59.9° |
| O5 | C17 | C18 | H24 | 61.6° | 180.0° |
| C18 | C17 | O5 | H21 | 56.7° | 60.0° |
| C17 | C18 | H22 | H23 | 120.0° | 119.9° |
| C17 | C18 | H22 | H24 | 120.0° | 120.1° |
| C17 | C18 | H23 | H24 | 120.0° | 120.1° |
| H20 | C17 | O5 | H21 | 61.3° | 180.0° |
| H20 | C17 | C18 | H22 | 60.3° | 179.9° |
| H20 | C17 | C18 | H23 | 59.7° | 60.0° |
| H20 | C17 | C18 | H24 | 179.7° | 60.0° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
| C19 | N4 | H25 | C16 | 180.0° | 180.0° |
| N4 | C19 | C20 | C21 | 121.3° | 120.0° |
| N4 | C19 | C20 | H26 | 119.9° | 120.0° |
| N4 | C19 | C21 | H26 | 118.7° | 120.0° |
| N4 | C19 | C20 | O6 | 12.8° | 15.0° |
| N4 | C19 | C21 | H27 | 180.0° | 60.0° |
| N4 | C19 | C21 | H28 | 60.0° | 179.9° |
| N4 | C19 | C21 | H29 | 60.0° | 60.0° |
| N4 | C19 | C20 | C22 | 99.4° | 165.0° |
| H25 | N4 | C19 | C20 | 81.7° | 25.0° |
| H25 | N4 | C19 | C21 | 41.3° | 95.1° |
| H25 | N4 | C19 | H26 | 159.2° | 144.9° |
| C20 | C19 | C21 | H26 | 118.7° | 120.0° |
| C19 | C20 | O6 | C22 | 113.6° | 180.0° |
| C20 | C19 | C21 | H27 | 57.4° | 60.0° |
| C20 | C19 | C21 | H28 | 177.4° | 60.0° |
| C20 | C19 | C21 | H29 | 62.6° | 179.9° |
| C19 | C20 | C22 | CL1 | 0.1° | 180.0° |
| C19 | C20 | C22 | H30 | 120.1° | 60.0° |
| C19 | C20 | C22 | H31 | 119.9° | 60.0° |
| C20 | C19 | N4 | C16 | 98.3° | 155.0° |
| C21 | C19 | C20 | O6 | 108.5° | 105.0° |
| C19 | C21 | H27 | H28 | 120.0° | 120.0° |
| C19 | C21 | H27 | H29 | 120.0° | 119.9° |
| C19 | C21 | H28 | H29 | 120.0° | 120.0° |
| C21 | C19 | N4 | C16 | 138.7° | 85.0° |
| C21 | C19 | C20 | C22 | 139.3° | 75.0° |
| H26 | C19 | C20 | O6 | 132.7° | 134.9° |
| H26 | C19 | C21 | H27 | 61.4° | 180.0° |
| H26 | C19 | C21 | H28 | 58.7° | 60.1° |
| H26 | C19 | C21 | H29 | 178.7° | 60.0° |
| H26 | C19 | N4 | C16 | 20.8° | 35.0° |
| H26 | C19 | C20 | C22 | 20.4° | 45.1° |
| O6 | C20 | C22 | CL1 | 121.0° | 0.0° |
| O6 | C20 | C22 | H30 | 1.0° | 120.0° |
| O6 | C20 | C22 | H31 | 118.9° | 120.0° |
| H27 | C21 | H28 | H29 | 120.0° | 120.0° |
| CL1 | C22 | H30 | H31 | 119.9° | 120.0° |
| CL1 | C22 | H30 | C20 | 120.2° | 120.0° |
| CL1 | C22 | H31 | C20 | 120.2° | 120.0° |
| H30 | C22 | H31 | C20 | 119.9° | 120.0° |
