PRD_000295
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | O2 | sing | 1.35Å | 1.41Å | |
| O2 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.43Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.47Å | 1.48Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.56Å | |
| 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 | 1.54Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.22Å | |
| C13 | O5 | sing | 1.34Å | 1.34Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| N2 | C14 | sing | 1.47Å | 1.49Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.55Å | |
| C14 | C16 | sing | 1.53Å | 1.57Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | O6 | doub | 1.21Å | 1.24Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C19 | sing | 1.47Å | 1.47Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.57Å | |
| C19 | C21 | sing | 1.53Å | 1.55Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | O7 | doub | 1.21Å | 1.21Å | |
| C21 | C22 | sing | 1.51Å | 1.55Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | O8 | doub | 1.21Å | 1.21Å | |
| C22 | O9 | sing | 1.34Å | 1.33Å | |
| O9 | H28 | sing | 0.97Å | 0.95Å | |
| C23 | CL1 | sing | 1.80Å | 67.54Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C20 | C23 | sing | 1.51Å | 1.34Å | |
| C10 | N2 | sing | 1.35Å | 1.35Å | |
| C15 | N3 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.6° | 120.0° |
| O1 | C1 | N1 | 128.5° | 120.0° |
| C1 | O2 | C2 | 116.3° | 117.0° |
| O2 | C1 | N1 | 110.9° | 120.0° |
| O2 | C2 | C3 | 111.4° | 109.5° |
| O2 | C2 | H1 | 109.0° | 109.4° |
| O2 | C2 | H2 | 109.0° | 109.4° |
| C3 | C2 | H1 | 109.0° | 109.5° |
| C3 | C2 | H2 | 109.0° | 109.5° |
| C2 | C3 | C4 | 121.7° | 120.0° |
| C2 | C3 | C8 | 119.3° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| C4 | C3 | C8 | 118.9° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C3 | C8 | C7 | 121.1° | 120.0° |
| C3 | C8 | H7 | 119.5° | 120.0° |
| C5 | C4 | H3 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C4 | C5 | H4 | 119.7° | 120.0° |
| C6 | C5 | H4 | 119.7° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.0° |
| C5 | C6 | H5 | 120.1° | 120.0° |
| C7 | C6 | H5 | 120.1° | 120.0° |
| C6 | C7 | C8 | 119.6° | 119.9° |
| C6 | C7 | H6 | 120.2° | 120.1° |
| C8 | C7 | H6 | 120.2° | 120.0° |
| C7 | C8 | H7 | 119.4° | 119.9° |
| C9 | N1 | H8 | 118.2° | 120.0° |
| N1 | C9 | C10 | 107.1° | 109.4° |
| N1 | C9 | C11 | 112.6° | 109.4° |
| N1 | C9 | H9 | 110.5° | 109.5° |
| C9 | N1 | C1 | 123.6° | 120.0° |
| H8 | N1 | C1 | 118.2° | 120.0° |
| C10 | C9 | C11 | 107.3° | 109.5° |
| C10 | C9 | H9 | 109.5° | 109.5° |
| C9 | C10 | O3 | 120.5° | 120.0° |
| C9 | C10 | N2 | 117.3° | 119.9° |
| C11 | C9 | H9 | 109.8° | 109.5° |
| C9 | C11 | C12 | 116.6° | 109.4° |
| C9 | C11 | H10 | 107.7° | 109.5° |
| C9 | C11 | H11 | 107.7° | 109.4° |
| O3 | C10 | N2 | 122.2° | 120.0° |
| C12 | C11 | H10 | 107.7° | 109.5° |
| C12 | C11 | H11 | 107.6° | 109.5° |
| C11 | C12 | C13 | 112.5° | 109.5° |
| C11 | C12 | H12 | 108.7° | 109.5° |
| C11 | C12 | H13 | 108.7° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H13 | 108.7° | 109.5° |
| C12 | C13 | O4 | 126.9° | 120.0° |
| C12 | C13 | O5 | 110.1° | 120.0° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| O4 | C13 | O5 | 123.1° | 120.0° |
| C13 | O5 | H14 | 109.5° | 117.0° |
| C14 | N2 | H15 | 117.7° | 120.0° |
| N2 | C14 | C15 | 106.0° | 109.5° |
| N2 | C14 | C16 | 112.4° | 109.5° |
| N2 | C14 | H16 | 109.4° | 109.5° |
| C14 | N2 | C10 | 124.6° | 120.0° |
| H15 | N2 | C10 | 117.7° | 120.1° |
| C15 | C14 | C16 | 111.8° | 109.5° |
| C15 | C14 | H16 | 108.7° | 109.5° |
| C14 | C15 | O6 | 121.1° | 120.0° |
| C14 | C15 | N3 | 116.0° | 120.0° |
| C16 | C14 | H16 | 108.4° | 109.5° |
| C14 | C16 | C17 | 111.2° | 109.5° |
| C14 | C16 | C18 | 113.9° | 109.5° |
| C14 | C16 | H17 | 108.1° | 109.5° |
| O6 | C15 | N3 | 123.0° | 120.0° |
| C17 | C16 | C18 | 106.5° | 109.5° |
| C17 | C16 | H17 | 108.6° | 109.4° |
| C16 | C17 | H18 | 109.5° | 109.5° |
| C16 | C17 | H19 | 109.5° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C18 | C16 | H17 | 108.4° | 109.5° |
| C16 | C18 | H21 | 109.5° | 109.4° |
| C16 | C18 | H22 | 109.5° | 109.5° |
| C16 | C18 | H23 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.4° | 109.5° |
| H18 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.4° | 109.5° |
| C19 | N3 | H24 | 117.5° | 120.0° |
| N3 | C19 | C20 | 111.7° | 109.4° |
| N3 | C19 | C21 | 109.4° | 109.5° |
| N3 | C19 | H25 | 109.4° | 109.5° |
| C19 | N3 | C15 | 125.1° | 120.0° |
| H24 | N3 | C15 | 117.5° | 120.0° |
| C20 | C19 | C21 | 109.7° | 109.5° |
| C20 | C19 | H25 | 108.2° | 109.5° |
| C19 | C20 | O7 | 123.6° | 120.0° |
| C19 | C20 | C23 | 112.3° | 120.0° |
| C21 | C19 | H25 | 108.4° | 109.5° |
| C19 | C21 | C22 | 115.1° | 109.5° |
| C19 | C21 | H26 | 108.1° | 109.5° |
| C19 | C21 | H27 | 108.0° | 109.4° |
| O7 | C20 | C23 | 124.1° | 120.0° |
| C22 | C21 | H26 | 108.0° | 109.5° |
| C22 | C21 | H27 | 108.0° | 109.5° |
| C21 | C22 | O8 | 126.9° | 120.0° |
| C21 | C22 | O9 | 110.2° | 120.0° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| O8 | C22 | O9 | 122.9° | 119.9° |
| C22 | O9 | H28 | 109.5° | 117.0° |
| CL1 | C23 | H29 | 119.3° | 109.5° |
| CL1 | C23 | H30 | 119.3° | 109.5° |
| CL1 | C23 | C20 | 64.1° | 109.5° |
| H29 | C23 | H30 | 109.4° | 109.5° |
| H29 | C23 | C20 | 119.3° | 109.4° |
| H30 | C23 | C20 | 119.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 179.2° | 179.7° |
| O1 | C1 | O2 | C2 | 0.2° | 0.1° |
| O1 | C1 | N1 | C9 | 1.6° | 0.0° |
| O1 | C1 | N1 | H8 | 178.4° | 180.0° |
| C1 | O2 | C2 | C3 | 178.0° | 179.9° |
| C1 | O2 | C2 | H1 | 61.7° | 59.9° |
| C1 | O2 | C2 | H2 | 57.7° | 60.0° |
| O2 | C1 | N1 | C9 | 177.5° | 179.7° |
| O2 | C1 | N1 | H8 | 2.5° | 0.3° |
| O2 | C2 | C3 | H1 | 120.3° | 120.0° |
| O2 | C2 | C3 | H2 | 120.3° | 120.0° |
| O2 | C2 | H1 | H2 | 119.1° | 119.9° |
| O2 | C2 | C3 | C4 | 46.8° | 90.0° |
| O2 | C2 | C3 | C8 | 133.2° | 90.3° |
| C2 | O2 | C1 | N1 | 179.0° | 179.7° |
| C3 | C2 | H1 | H2 | 119.1° | 120.1° |
| C2 | C3 | C4 | C8 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 0.0° | 0.0° |
| C2 | C3 | C8 | C7 | 180.0° | 179.8° |
| C2 | C3 | C8 | H7 | 0.0° | 0.1° |
| H1 | C2 | C3 | C4 | 73.5° | 30.0° |
| H1 | C2 | C3 | C8 | 106.5° | 149.7° |
| H2 | C2 | C3 | C4 | 167.1° | 150.0° |
| H2 | C2 | C3 | C8 | 12.9° | 29.7° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | C3 | C8 | C7 | 0.0° | 0.5° |
| C4 | C3 | C8 | H7 | 180.0° | 179.8° |
| C8 | C3 | C4 | C5 | 0.0° | 0.3° |
| C8 | C3 | C4 | H3 | 180.0° | 179.7° |
| C3 | C8 | C7 | C6 | 0.1° | 0.5° |
| C3 | C8 | C7 | H7 | 180.0° | 179.7° |
| C3 | C8 | C7 | H6 | 180.0° | 179.7° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 179.9° | 179.9° |
| H3 | C4 | C5 | C6 | 180.0° | 180.0° |
| H3 | C4 | C5 | H4 | 0.0° | 0.1° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.2° |
| C5 | C6 | C7 | H6 | 179.9° | 180.0° |
| H4 | C5 | C6 | C7 | 180.0° | 180.0° |
| H4 | C5 | C6 | H5 | 0.0° | 0.0° |
| C6 | C7 | C8 | H6 | 180.0° | 179.8° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| H5 | C6 | C7 | C8 | 179.9° | 179.8° |
| H5 | C6 | C7 | H6 | 0.1° | 0.0° |
| H6 | C7 | C8 | H7 | 0.0° | 0.0° |
| C9 | N1 | H8 | C1 | 180.0° | 180.0° |
| N1 | C9 | C10 | C11 | 121.1° | 119.9° |
| N1 | C9 | C10 | H9 | 119.8° | 120.0° |
| N1 | C9 | C11 | H9 | 123.5° | 120.0° |
| N1 | C9 | C10 | O3 | 2.3° | 0.0° |
| N1 | C9 | C11 | C12 | 62.9° | 65.1° |
| N1 | C9 | C11 | H10 | 58.1° | 54.9° |
| N1 | C9 | C11 | H11 | 176.1° | 175.0° |
| N1 | C9 | C10 | N2 | 178.1° | 180.0° |
| H8 | N1 | C9 | C10 | 76.9° | 25.0° |
| H8 | N1 | C9 | C11 | 40.8° | 95.0° |
| H8 | N1 | C9 | H9 | 163.9° | 145.0° |
| C10 | C9 | C11 | H9 | 118.9° | 120.1° |
| C9 | C10 | O3 | N2 | 179.6° | 180.0° |
| C10 | C9 | C11 | C12 | 179.5° | 175.0° |
| C10 | C9 | C11 | H10 | 59.5° | 65.0° |
| C10 | C9 | C11 | H11 | 58.4° | 55.1° |
| C9 | C10 | N2 | C14 | 165.4° | 180.0° |
| C9 | C10 | N2 | H15 | 14.6° | 0.0° |
| C10 | C9 | N1 | C1 | 103.1° | 155.0° |
| C11 | C9 | C10 | O3 | 118.9° | 120.0° |
| C9 | C11 | C12 | H10 | 121.0° | 120.0° |
| C9 | C11 | C12 | H11 | 121.0° | 119.9° |
| C9 | C11 | H10 | H11 | 116.8° | 120.0° |
| C9 | C11 | C12 | C13 | 168.1° | 180.0° |
| C9 | C11 | C12 | H12 | 47.7° | 60.0° |
| C9 | C11 | C12 | H13 | 71.5° | 60.0° |
| C11 | C9 | N1 | C1 | 139.2° | 85.0° |
| C11 | C9 | C10 | N2 | 60.8° | 60.1° |
| H9 | C9 | C10 | O3 | 122.1° | 120.0° |
| H9 | C9 | C11 | C12 | 60.6° | 55.0° |
| H9 | C9 | C11 | H10 | 178.3° | 175.0° |
| H9 | C9 | C11 | H11 | 60.4° | 65.0° |
| H9 | C9 | N1 | C1 | 16.0° | 35.0° |
| H9 | C9 | C10 | N2 | 58.3° | 60.0° |
| O3 | C10 | N2 | C14 | 15.0° | 0.0° |
| O3 | C10 | N2 | H15 | 165.1° | 180.0° |
| C12 | C11 | H10 | H11 | 116.7° | 120.0° |
| C11 | C12 | C13 | H12 | 120.5° | 120.1° |
| C11 | C12 | C13 | H13 | 120.4° | 120.0° |
| C11 | C12 | H12 | H13 | 118.6° | 120.0° |
| C11 | C12 | C13 | O4 | 0.1° | 0.1° |
| C11 | C12 | C13 | O5 | 179.7° | 180.0° |
| H10 | C11 | C12 | C13 | 70.8° | 60.0° |
| H10 | C11 | C12 | H12 | 168.7° | 180.0° |
| H10 | C11 | C12 | H13 | 49.6° | 60.0° |
| H11 | C11 | C12 | C13 | 47.1° | 60.1° |
| H11 | C11 | C12 | H12 | 73.4° | 60.0° |
| H11 | C11 | C12 | H13 | 167.5° | 180.0° |
| C13 | C12 | H12 | H13 | 118.6° | 120.0° |
| C12 | C13 | O4 | O5 | 179.8° | 180.0° |
| C12 | C13 | O5 | H14 | 179.8° | 180.0° |
| H12 | C12 | C13 | O4 | 120.5° | 120.0° |
| H12 | C12 | C13 | O5 | 59.3° | 59.9° |
| H13 | C12 | C13 | O4 | 120.4° | 120.0° |
| H13 | C12 | C13 | O5 | 59.8° | 60.0° |
| O4 | C13 | O5 | H14 | 0.0° | 0.1° |
| C14 | N2 | H15 | C10 | 180.0° | 180.0° |
| N2 | C14 | C15 | C16 | 122.9° | 120.0° |
| N2 | C14 | C15 | H16 | 117.6° | 120.0° |
| N2 | C14 | C16 | H16 | 121.1° | 120.0° |
| N2 | C14 | C15 | O6 | 26.1° | 19.6° |
| N2 | C14 | C16 | C17 | 63.0° | 64.9° |
| N2 | C14 | C16 | C18 | 57.3° | 55.1° |
| N2 | C14 | C16 | H17 | 177.8° | 175.1° |
| N2 | C14 | C15 | N3 | 153.8° | 160.4° |
| H15 | N2 | C14 | C15 | 52.7° | 25.0° |
| H15 | N2 | C14 | C16 | 69.8° | 95.0° |
| H15 | N2 | C14 | H16 | 169.8° | 145.0° |
| C15 | C14 | C16 | H16 | 119.8° | 120.0° |
| C14 | C15 | O6 | N3 | 179.9° | 179.9° |
| C15 | C14 | C16 | C17 | 177.8° | 175.1° |
| C15 | C14 | C16 | C18 | 61.9° | 64.9° |
| C15 | C14 | C16 | H17 | 58.7° | 55.1° |
| C14 | C15 | N3 | C19 | 179.6° | 175.3° |
| C14 | C15 | N3 | H24 | 0.5° | 4.5° |
| C15 | C14 | N2 | C10 | 127.3° | 155.0° |
| C16 | C14 | C15 | O6 | 96.8° | 100.3° |
| C14 | C16 | C17 | C18 | 124.6° | 120.0° |
| C14 | C16 | C17 | H17 | 118.9° | 120.0° |
| C14 | C16 | C18 | H17 | 120.4° | 120.0° |
| C14 | C16 | C17 | H18 | 180.0° | 66.1° |
| C14 | C16 | C17 | H19 | 60.0° | 173.9° |
| C14 | C16 | C17 | H20 | 60.0° | 53.8° |
| C14 | C16 | C18 | H21 | 180.0° | 60.0° |
| C14 | C16 | C18 | H22 | 60.0° | 180.0° |
| C14 | C16 | C18 | H23 | 60.0° | 60.0° |
| C16 | C14 | N2 | C10 | 110.2° | 85.0° |
| C16 | C14 | C15 | N3 | 83.3° | 79.6° |
| H16 | C14 | C15 | O6 | 143.6° | 139.6° |
| H16 | C14 | C16 | C17 | 58.1° | 55.1° |
| H16 | C14 | C16 | C18 | 178.4° | 175.1° |
| H16 | C14 | C16 | H17 | 61.1° | 64.9° |
| H16 | C14 | N2 | C10 | 10.3° | 35.0° |
| H16 | C14 | C15 | N3 | 36.2° | 40.4° |
| O6 | C15 | N3 | C19 | 0.3° | 4.7° |
| O6 | C15 | N3 | H24 | 179.7° | 175.4° |
| C17 | C16 | C18 | H17 | 116.7° | 119.9° |
| C16 | C17 | H18 | H19 | 120.0° | 120.0° |
| C16 | C17 | H18 | H20 | 120.0° | 120.0° |
| C16 | C17 | H19 | H20 | 120.0° | 120.0° |
| C17 | C16 | C18 | H21 | 57.1° | 180.0° |
| C17 | C16 | C18 | H22 | 62.9° | 60.0° |
| C17 | C16 | C18 | H23 | 177.1° | 60.0° |
| C18 | C16 | C17 | H18 | 55.4° | 53.9° |
| C18 | C16 | C17 | H19 | 175.4° | 66.1° |
| C18 | C16 | C17 | H20 | 64.6° | 173.9° |
| C16 | C18 | H21 | H22 | 120.0° | 120.0° |
| C16 | C18 | H21 | H23 | 120.0° | 120.0° |
| C16 | C18 | H22 | H23 | 120.0° | 120.1° |
| H17 | C16 | C17 | H18 | 61.1° | 173.9° |
| H17 | C16 | C17 | H19 | 58.8° | 53.9° |
| H17 | C16 | C17 | H20 | 178.9° | 66.2° |
| H17 | C16 | C18 | H21 | 59.6° | 60.0° |
| H17 | C16 | C18 | H22 | 179.6° | 59.9° |
| H17 | C16 | C18 | H23 | 60.4° | 179.9° |
| H18 | C17 | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | H22 | H23 | 120.0° | 120.0° |
| C19 | N3 | H24 | C15 | 180.0° | 179.9° |
| N3 | C19 | C20 | C21 | 121.5° | 120.0° |
| N3 | C19 | C20 | H25 | 120.5° | 120.0° |
| N3 | C19 | C21 | H25 | 119.3° | 120.0° |
| N3 | C19 | C20 | O7 | 176.0° | 15.0° |
| N3 | C19 | C21 | C22 | 74.8° | 65.0° |
| N3 | C19 | C21 | H26 | 46.0° | 55.0° |
| N3 | C19 | C21 | H27 | 164.4° | 175.0° |
| N3 | C19 | C20 | C23 | 3.1° | 165.0° |
| H24 | N3 | C19 | C20 | 69.2° | 95.0° |
| H24 | N3 | C19 | C21 | 52.5° | 24.9° |
| H24 | N3 | C19 | H25 | 171.1° | 144.9° |
| C20 | C19 | C21 | H25 | 117.9° | 120.1° |
| C19 | C20 | O7 | C23 | 178.9° | 180.0° |
| C20 | C19 | C21 | C22 | 162.4° | 175.0° |
| C20 | C19 | C21 | H26 | 76.8° | 64.9° |
| C20 | C19 | C21 | H27 | 41.6° | 55.0° |
| C19 | C20 | C23 | CL1 | 30.3° | 180.0° |
| C19 | C20 | C23 | H29 | 80.3° | 60.0° |
| C19 | C20 | C23 | H30 | 140.9° | 60.0° |
| C20 | C19 | N3 | C15 | 110.8° | 85.1° |
| C21 | C19 | C20 | O7 | 54.5° | 105.0° |
| C19 | C21 | C22 | H26 | 120.8° | 120.0° |
| C19 | C21 | C22 | H27 | 120.8° | 120.0° |
| C19 | C21 | H26 | H27 | 117.4° | 120.0° |
| C19 | C21 | C22 | O8 | 36.5° | 0.0° |
| C19 | C21 | C22 | O9 | 143.9° | 180.0° |
| C21 | C19 | C20 | C23 | 124.6° | 75.0° |
| C21 | C19 | N3 | C15 | 127.5° | 155.0° |
| H25 | C19 | C20 | O7 | 63.5° | 134.9° |
| H25 | C19 | C21 | C22 | 44.5° | 55.0° |
| H25 | C19 | C21 | H26 | 165.3° | 175.0° |
| H25 | C19 | C21 | H27 | 76.3° | 65.0° |
| H25 | C19 | C20 | C23 | 117.4° | 45.0° |
| H25 | C19 | N3 | C15 | 8.9° | 34.9° |
| O7 | C20 | C23 | CL1 | 150.7° | 0.0° |
| O7 | C20 | C23 | H29 | 98.8° | 120.0° |
| O7 | C20 | C23 | H30 | 40.1° | 120.0° |
| C22 | C21 | H26 | H27 | 117.4° | 120.0° |
| C21 | C22 | O8 | O9 | 179.6° | 180.0° |
| C21 | C22 | O9 | H28 | 179.6° | 180.0° |
| H26 | C21 | C22 | O8 | 157.4° | 120.0° |
| H26 | C21 | C22 | O9 | 23.0° | 60.0° |
| H27 | C21 | C22 | O8 | 84.3° | 120.0° |
| H27 | C21 | C22 | O9 | 95.3° | 60.0° |
| O8 | C22 | O9 | H28 | 0.0° | 0.0° |
| CL1 | C23 | H29 | H30 | 142.5° | 120.0° |
| CL1 | C23 | H29 | C20 | 75.0° | 120.0° |
| CL1 | C23 | H30 | C20 | 75.0° | 120.0° |
| H29 | C23 | H30 | C20 | 142.5° | 120.0° |
