PRD_000277
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | O2 | sing | 1.35Å | 0.00Å | |
| O2 | C2 | sing | 1.45Å | 0.00Å | |
| C2 | C3 | sing | 1.51Å | 0.00Å | |
| C2 | H1 | sing | 1.09Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C3 | C4 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 0.00Å | |
| C5 | C6 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 0.00Å | |
| C6 | C7 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 0.00Å | |
| C7 | C8 | doub | 1.38Å | 0.00Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 0.00Å | |
| C8 | H7 | sing | 1.08Å | 0.00Å | |
| N1 | C9 | sing | 1.47Å | 1.49Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.25Å | |
| C12 | O5 | sing | 1.34Å | 1.25Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| N2 | C13 | sing | 1.46Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | O6 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | O7 | doub | 1.21Å | 1.25Å | |
| C17 | O8 | sing | 1.34Å | 1.25Å | |
| O8 | H19 | sing | 0.97Å | 0.95Å | |
| N3 | C18 | sing | 1.47Å | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.55Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | O9 | doub | 1.21Å | 1.23Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| N4 | C23 | sing | 1.47Å | 1.50Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.45Å | |
| C23 | C25 | sing | 1.53Å | 1.57Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | O10 | doub | 1.21Å | 1.26Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | O11 | doub | 1.21Å | 1.27Å | |
| C26 | O12 | sing | 1.34Å | 1.24Å | |
| O12 | H33 | sing | 0.97Å | 0.95Å | |
| C27 | CL1 | sing | 1.80Å | 59.32Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 55.86Å | |
| C24 | C27 | sing | 1.51Å | 1.53Å | |
| C10 | N2 | sing | 1.35Å | 1.33Å | |
| C14 | N3 | sing | 1.35Å | 1.33Å | |
| C19 | N4 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 90.0° | 120.1° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | O2 | C2 | 90.0° | 116.9° |
| O2 | C1 | N1 | 90.0° | 119.9° |
| O2 | C2 | C3 | 90.0° | 109.4° |
| O2 | C2 | H1 | 90.0° | 109.5° |
| O2 | C2 | H2 | 90.0° | 109.5° |
| C3 | C2 | H1 | 90.0° | 109.4° |
| C3 | C2 | H2 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 120.0° |
| C2 | C3 | C8 | 90.0° | 120.0° |
| H1 | C2 | H2 | 90.0° | 109.5° |
| C4 | C3 | C8 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 120.0° |
| C3 | C4 | H3 | 90.0° | 120.0° |
| C3 | C8 | C7 | 90.0° | 120.0° |
| C3 | C8 | H7 | 90.0° | 119.9° |
| C5 | C4 | H3 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C4 | C5 | H4 | 90.0° | 120.0° |
| C6 | C5 | H4 | 90.0° | 120.0° |
| C5 | C6 | C7 | 90.0° | 120.0° |
| C5 | C6 | H5 | 90.0° | 120.0° |
| C7 | C6 | H5 | 90.0° | 120.0° |
| C6 | C7 | C8 | 90.0° | 120.0° |
| C6 | C7 | H6 | 90.0° | 120.0° |
| C8 | C7 | H6 | 90.0° | 119.9° |
| C7 | C8 | H7 | 90.0° | 120.0° |
| C9 | N1 | H8 | 133.2° | 120.0° |
| N1 | C9 | C10 | 110.4° | 109.4° |
| N1 | C9 | C11 | 110.0° | 109.5° |
| N1 | C9 | H9 | 109.2° | 109.5° |
| C9 | N1 | C1 | 93.5° | 120.0° |
| H8 | N1 | C1 | 133.3° | 120.0° |
| C10 | C9 | C11 | 109.9° | 109.5° |
| C10 | C9 | H9 | 108.7° | 109.4° |
| C9 | C10 | O3 | 120.7° | 120.0° |
| C9 | C10 | N2 | 116.3° | 120.0° |
| C11 | C9 | H9 | 108.6° | 109.5° |
| C9 | C11 | C12 | 112.6° | 109.5° |
| C9 | C11 | H10 | 108.7° | 109.4° |
| C9 | C11 | H11 | 108.7° | 109.5° |
| O3 | C10 | N2 | 123.0° | 120.0° |
| C12 | C11 | H10 | 108.7° | 109.5° |
| C12 | C11 | H11 | 108.6° | 109.4° |
| C11 | C12 | O4 | 118.5° | 120.0° |
| C11 | C12 | O5 | 118.6° | 120.0° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| O4 | C12 | O5 | 122.8° | 120.0° |
| C12 | O5 | H12 | 109.5° | 117.0° |
| C13 | N2 | H13 | 118.9° | 120.0° |
| N2 | C13 | C14 | 108.7° | 109.5° |
| N2 | C13 | C15 | 110.4° | 109.5° |
| N2 | C13 | H14 | 110.2° | 109.5° |
| C13 | N2 | C10 | 122.2° | 120.0° |
| H13 | N2 | C10 | 118.9° | 120.0° |
| C14 | C13 | C15 | 109.0° | 109.4° |
| C14 | C13 | H14 | 109.3° | 109.5° |
| C13 | C14 | O6 | 120.2° | 120.0° |
| C13 | C14 | N3 | 117.1° | 120.0° |
| C15 | C13 | H14 | 109.2° | 109.5° |
| C13 | C15 | C16 | 115.0° | 109.4° |
| C13 | C15 | H15 | 108.1° | 109.5° |
| C13 | C15 | H16 | 108.1° | 109.5° |
| O6 | C14 | N3 | 122.7° | 120.0° |
| C16 | C15 | H15 | 108.1° | 109.5° |
| C16 | C15 | H16 | 108.0° | 109.5° |
| C15 | C16 | C17 | 112.5° | 109.5° |
| C15 | C16 | H17 | 108.7° | 109.4° |
| C15 | C16 | H18 | 108.7° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| C17 | C16 | H17 | 108.7° | 109.5° |
| C17 | C16 | H18 | 108.7° | 109.5° |
| C16 | C17 | O7 | 118.8° | 120.0° |
| C16 | C17 | O8 | 118.5° | 120.0° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| O7 | C17 | O8 | 122.7° | 120.0° |
| C17 | O8 | H19 | 109.5° | 117.0° |
| C18 | N3 | H20 | 119.5° | 120.0° |
| N3 | C18 | C19 | 112.1° | 109.5° |
| N3 | C18 | C20 | 111.5° | 109.5° |
| N3 | C18 | H21 | 108.7° | 109.5° |
| C18 | N3 | C14 | 121.1° | 120.0° |
| H20 | N3 | C14 | 119.4° | 120.0° |
| C19 | C18 | C20 | 108.8° | 109.5° |
| C19 | C18 | H21 | 107.9° | 109.5° |
| C18 | C19 | O9 | 121.3° | 120.0° |
| C18 | C19 | N4 | 108.2° | 120.0° |
| C20 | C18 | H21 | 107.6° | 109.5° |
| C18 | C20 | C21 | 110.1° | 109.4° |
| C18 | C20 | C22 | 110.2° | 109.5° |
| C18 | C20 | H22 | 108.4° | 109.4° |
| O9 | C19 | N4 | 128.0° | 120.0° |
| C21 | C20 | C22 | 110.4° | 109.5° |
| C21 | C20 | H22 | 108.9° | 109.5° |
| C20 | C21 | H23 | 109.5° | 109.5° |
| C20 | C21 | H24 | 109.5° | 109.5° |
| C20 | C21 | H25 | 109.4° | 109.5° |
| C22 | C20 | H22 | 108.8° | 109.5° |
| C20 | C22 | H26 | 109.5° | 109.5° |
| C20 | C22 | H27 | 109.5° | 109.4° |
| C20 | C22 | H28 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.4° | 109.4° |
| H23 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H28 | 109.4° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.5° |
| C23 | N4 | H29 | 117.6° | 120.0° |
| N4 | C23 | C24 | 110.0° | 109.4° |
| N4 | C23 | C25 | 112.3° | 109.5° |
| N4 | C23 | H30 | 108.3° | 109.4° |
| C23 | N4 | C19 | 124.8° | 120.0° |
| H29 | N4 | C19 | 117.6° | 120.0° |
| C24 | C23 | C25 | 109.8° | 109.5° |
| C24 | C23 | H30 | 108.9° | 109.5° |
| C23 | C24 | O10 | 117.2° | 120.1° |
| C23 | C24 | C27 | 126.0° | 119.9° |
| C25 | C23 | H30 | 107.5° | 109.5° |
| C23 | C25 | C26 | 113.5° | 109.5° |
| C23 | C25 | H31 | 108.5° | 109.4° |
| C23 | C25 | H32 | 108.4° | 109.5° |
| O10 | C24 | C27 | 116.8° | 120.0° |
| C26 | C25 | H31 | 108.5° | 109.5° |
| C26 | C25 | H32 | 108.5° | 109.5° |
| C25 | C26 | O11 | 119.5° | 120.0° |
| C25 | C26 | O12 | 118.4° | 120.0° |
| H31 | C25 | H32 | 109.4° | 109.5° |
| O11 | C26 | O12 | 122.1° | 120.0° |
| C26 | O12 | H33 | 109.5° | 117.0° |
| CL1 | C27 | H34 | 125.0° | 109.5° |
| CL1 | C27 | H35 | 125.0° | 109.5° |
| CL1 | C27 | C24 | 13.6° | 109.4° |
| H34 | C27 | H35 | 109.5° | 109.5° |
| H34 | C27 | C24 | 125.0° | 109.5° |
| H35 | C27 | C24 | 125.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 90.0° | 179.8° |
| O1 | C1 | O2 | C2 | 90.0° | 0.0° |
| O1 | C1 | N1 | C9 | 90.0° | 4.8° |
| O1 | C1 | N1 | H8 | 90.0° | 175.1° |
| C1 | O2 | C2 | C3 | 90.0° | 180.0° |
| C1 | O2 | C2 | H1 | 90.0° | 60.0° |
| C1 | O2 | C2 | H2 | 90.0° | 60.0° |
| O2 | C1 | N1 | C9 | 90.0° | 174.9° |
| O2 | C1 | N1 | H8 | 90.0° | 5.1° |
| O2 | C2 | C3 | H1 | 90.0° | 120.0° |
| O2 | C2 | C3 | H2 | 90.0° | 120.0° |
| O2 | C2 | H1 | H2 | 90.0° | 120.0° |
| O2 | C2 | C3 | C4 | 90.0° | 90.0° |
| O2 | C2 | C3 | C8 | 90.0° | 90.3° |
| C2 | O2 | C1 | N1 | 90.0° | 179.7° |
| C3 | C2 | H1 | H2 | 90.0° | 120.0° |
| C2 | C3 | C4 | C8 | 90.0° | 179.7° |
| C2 | C3 | C4 | C5 | 90.0° | 180.0° |
| C2 | C3 | C4 | H3 | 90.0° | 0.1° |
| C2 | C3 | C8 | C7 | 90.0° | 179.8° |
| C2 | C3 | C8 | H7 | 90.0° | 0.0° |
| H1 | C2 | C3 | C4 | 90.0° | 29.9° |
| H1 | C2 | C3 | C8 | 90.0° | 149.8° |
| H2 | C2 | C3 | C4 | 90.0° | 150.0° |
| H2 | C2 | C3 | C8 | 90.0° | 29.7° |
| C3 | C4 | C5 | H3 | 90.0° | 179.9° |
| C3 | C4 | C5 | C6 | 90.0° | 0.0° |
| C3 | C4 | C5 | H4 | 90.0° | 179.9° |
| C4 | C3 | C8 | C7 | 90.0° | 0.5° |
| C4 | C3 | C8 | H7 | 90.0° | 179.7° |
| C8 | C3 | C4 | C5 | 90.0° | 0.3° |
| C8 | C3 | C4 | H3 | 90.0° | 179.8° |
| C3 | C8 | C7 | C6 | 90.0° | 0.4° |
| C3 | C8 | C7 | H7 | 90.0° | 179.8° |
| C3 | C8 | C7 | H6 | 90.0° | 179.7° |
| C4 | C5 | C6 | H4 | 90.0° | 179.9° |
| C4 | C5 | C6 | C7 | 90.0° | 0.1° |
| C4 | C5 | C6 | H5 | 90.0° | 180.0° |
| H3 | C4 | C5 | C6 | 90.0° | 179.9° |
| H3 | C4 | C5 | H4 | 90.0° | 0.0° |
| C5 | C6 | C7 | H5 | 90.0° | 180.0° |
| C5 | C6 | C7 | C8 | 90.0° | 0.1° |
| C5 | C6 | C7 | H6 | 90.0° | 180.0° |
| H4 | C5 | C6 | C7 | 90.0° | 180.0° |
| H4 | C5 | C6 | H5 | 90.0° | 0.1° |
| C6 | C7 | C8 | H6 | 90.0° | 179.8° |
| C6 | C7 | C8 | H7 | 90.0° | 179.8° |
| H5 | C6 | C7 | C8 | 90.0° | 179.8° |
| H5 | C6 | C7 | H6 | 90.0° | 0.0° |
| H6 | C7 | C8 | H7 | 90.0° | 0.1° |
| C9 | N1 | H8 | C1 | 180.0° | 180.0° |
| N1 | C9 | C10 | C11 | 121.5° | 120.0° |
| N1 | C9 | C10 | H9 | 119.7° | 119.9° |
| N1 | C9 | C11 | H9 | 119.5° | 120.0° |
| N1 | C9 | C10 | O3 | 38.3° | 0.0° |
| N1 | C9 | C11 | C12 | 58.3° | 63.7° |
| N1 | C9 | C11 | H10 | 62.1° | 56.2° |
| N1 | C9 | C11 | H11 | 178.8° | 176.3° |
| N1 | C9 | C10 | N2 | 141.2° | 180.0° |
| H8 | N1 | C9 | C10 | 68.2° | 94.2° |
| H8 | N1 | C9 | C11 | 53.3° | 25.8° |
| H8 | N1 | C9 | H9 | 172.4° | 145.9° |
| C10 | C9 | C11 | H9 | 118.8° | 120.0° |
| C9 | C10 | O3 | N2 | 179.5° | 180.0° |
| C10 | C9 | C11 | C12 | 179.9° | 176.3° |
| C10 | C9 | C11 | H10 | 59.6° | 63.8° |
| C10 | C9 | C11 | H11 | 59.5° | 56.3° |
| C9 | C10 | N2 | C13 | 179.8° | 180.0° |
| C9 | C10 | N2 | H13 | 0.2° | 0.0° |
| C10 | C9 | N1 | C1 | 111.8° | 85.8° |
| C11 | C9 | C10 | O3 | 83.1° | 120.0° |
| C9 | C11 | C12 | H10 | 120.5° | 120.0° |
| C9 | C11 | C12 | H11 | 120.5° | 120.0° |
| C9 | C11 | H10 | H11 | 118.6° | 120.0° |
| C9 | C11 | C12 | O4 | 55.0° | 5.7° |
| C9 | C11 | C12 | O5 | 125.6° | 174.3° |
| C11 | C9 | N1 | C1 | 126.7° | 154.2° |
| C11 | C9 | C10 | N2 | 97.3° | 60.0° |
| H9 | C9 | C10 | O3 | 158.1° | 120.0° |
| H9 | C9 | C11 | C12 | 61.1° | 56.3° |
| H9 | C9 | C11 | H10 | 178.4° | 176.3° |
| H9 | C9 | C11 | H11 | 59.3° | 63.7° |
| H9 | C9 | N1 | C1 | 7.6° | 34.1° |
| H9 | C9 | C10 | N2 | 21.5° | 60.0° |
| O3 | C10 | N2 | C13 | 0.3° | 0.0° |
| O3 | C10 | N2 | H13 | 179.7° | 180.0° |
| C12 | C11 | H10 | H11 | 118.5° | 120.0° |
| C11 | C12 | O4 | O5 | 179.4° | 180.0° |
| C11 | C12 | O5 | H12 | 179.4° | 180.0° |
| H10 | C11 | C12 | O4 | 175.5° | 125.7° |
| H10 | C11 | C12 | O5 | 5.1° | 54.3° |
| H11 | C11 | C12 | O4 | 65.5° | 114.3° |
| H11 | C11 | C12 | O5 | 114.0° | 65.7° |
| O4 | C12 | O5 | H12 | 0.0° | 0.1° |
| C13 | N2 | H13 | C10 | 180.0° | 179.9° |
| N2 | C13 | C14 | C15 | 120.3° | 120.0° |
| N2 | C13 | C14 | H14 | 120.4° | 120.1° |
| N2 | C13 | C15 | H14 | 121.4° | 120.0° |
| N2 | C13 | C14 | O6 | 13.8° | 0.0° |
| N2 | C13 | C15 | C16 | 46.5° | 65.0° |
| N2 | C13 | C15 | H15 | 74.3° | 54.9° |
| N2 | C13 | C15 | H16 | 167.3° | 175.0° |
| N2 | C13 | C14 | N3 | 166.7° | 180.0° |
| H13 | N2 | C13 | C14 | 45.7° | 24.9° |
| H13 | N2 | C13 | C15 | 73.7° | 95.0° |
| H13 | N2 | C13 | H14 | 165.5° | 145.0° |
| C14 | C13 | C15 | H14 | 119.4° | 120.0° |
| C13 | C14 | O6 | N3 | 179.5° | 180.0° |
| C14 | C13 | C15 | C16 | 165.7° | 175.0° |
| C14 | C13 | C15 | H15 | 44.9° | 65.0° |
| C14 | C13 | C15 | H16 | 73.5° | 55.0° |
| C13 | C14 | N3 | C18 | 179.2° | 180.0° |
| C13 | C14 | N3 | H20 | 0.7° | 0.0° |
| C14 | C13 | N2 | C10 | 134.3° | 155.0° |
| C15 | C13 | C14 | O6 | 106.6° | 120.0° |
| C13 | C15 | C16 | H15 | 120.8° | 120.0° |
| C13 | C15 | C16 | H16 | 120.8° | 120.0° |
| C13 | C15 | H15 | H16 | 117.5° | 120.0° |
| C13 | C15 | C16 | C17 | 173.1° | 180.0° |
| C13 | C15 | C16 | H17 | 52.7° | 60.0° |
| C13 | C15 | C16 | H18 | 66.4° | 60.0° |
| C15 | C13 | N2 | C10 | 106.3° | 85.1° |
| C15 | C13 | C14 | N3 | 73.0° | 60.0° |
| H14 | C13 | C14 | O6 | 134.1° | 120.0° |
| H14 | C13 | C15 | C16 | 74.9° | 55.0° |
| H14 | C13 | C15 | H15 | 164.3° | 175.0° |
| H14 | C13 | C15 | H16 | 45.9° | 65.0° |
| H14 | C13 | N2 | C10 | 14.5° | 34.9° |
| H14 | C13 | C14 | N3 | 46.3° | 60.0° |
| O6 | C14 | N3 | C18 | 0.3° | 0.0° |
| O6 | C14 | N3 | H20 | 179.7° | 180.0° |
| C16 | C15 | H15 | H16 | 117.5° | 120.0° |
| C15 | C16 | C17 | H17 | 120.5° | 120.0° |
| C15 | C16 | C17 | H18 | 120.5° | 120.0° |
| C15 | C16 | H17 | H18 | 118.7° | 119.9° |
| C15 | C16 | C17 | O7 | 45.7° | 0.0° |
| C15 | C16 | C17 | O8 | 134.7° | 180.0° |
| H15 | C15 | C16 | C17 | 66.1° | 60.0° |
| H15 | C15 | C16 | H17 | 173.5° | 180.0° |
| H15 | C15 | C16 | H18 | 54.4° | 60.0° |
| H16 | C15 | C16 | C17 | 52.3° | 60.0° |
| H16 | C15 | C16 | H17 | 68.1° | 60.0° |
| H16 | C15 | C16 | H18 | 172.8° | 179.9° |
| C17 | C16 | H17 | H18 | 118.6° | 120.1° |
| C16 | C17 | O7 | O8 | 179.6° | 180.0° |
| C16 | C17 | O8 | H19 | 179.7° | 180.0° |
| H17 | C16 | C17 | O7 | 166.1° | 120.0° |
| H17 | C16 | C17 | O8 | 14.3° | 60.0° |
| H18 | C16 | C17 | O7 | 74.8° | 120.0° |
| H18 | C16 | C17 | O8 | 104.8° | 60.0° |
| O7 | C17 | O8 | H19 | 0.0° | 0.0° |
| C18 | N3 | H20 | C14 | 180.0° | 179.9° |
| N3 | C18 | C19 | C20 | 123.8° | 120.0° |
| N3 | C18 | C19 | H21 | 119.7° | 120.0° |
| N3 | C18 | C20 | H21 | 119.2° | 120.0° |
| N3 | C18 | C19 | O9 | 15.9° | 18.2° |
| N3 | C18 | C20 | C21 | 66.0° | 64.9° |
| N3 | C18 | C20 | C22 | 56.0° | 55.1° |
| N3 | C18 | C20 | H22 | 175.0° | 175.1° |
| N3 | C18 | C19 | N4 | 147.9° | 161.9° |
| H20 | N3 | C18 | C19 | 63.1° | 25.1° |
| H20 | N3 | C18 | C20 | 59.2° | 94.9° |
| H20 | N3 | C18 | H21 | 177.8° | 145.0° |
| C19 | C18 | C20 | H21 | 116.6° | 120.0° |
| C18 | C19 | O9 | N4 | 160.4° | 179.9° |
| C19 | C18 | C20 | C21 | 169.8° | 175.1° |
| C19 | C18 | C20 | C22 | 68.2° | 64.9° |
| C19 | C18 | C20 | H22 | 50.8° | 55.1° |
| C18 | C19 | N4 | C23 | 175.5° | 175.1° |
| C18 | C19 | N4 | H29 | 4.4° | 4.9° |
| C19 | C18 | N3 | C14 | 116.9° | 155.0° |
| C20 | C18 | C19 | O9 | 107.9° | 101.8° |
| C18 | C20 | C21 | C22 | 121.9° | 120.0° |
| C18 | C20 | C21 | H22 | 118.7° | 119.9° |
| C18 | C20 | C22 | H22 | 118.8° | 120.0° |
| C18 | C20 | C21 | H23 | 180.0° | 67.4° |
| C18 | C20 | C21 | H24 | 60.0° | 172.7° |
| C18 | C20 | C21 | H25 | 60.0° | 52.7° |
| C18 | C20 | C22 | H26 | 180.0° | 60.0° |
| C18 | C20 | C22 | H27 | 60.0° | 180.0° |
| C18 | C20 | C22 | H28 | 60.0° | 60.0° |
| C20 | C18 | N3 | C14 | 120.8° | 85.0° |
| C20 | C18 | C19 | N4 | 88.3° | 78.1° |
| H21 | C18 | C19 | O9 | 135.6° | 138.2° |
| H21 | C18 | C20 | C21 | 53.2° | 55.1° |
| H21 | C18 | C20 | C22 | 175.1° | 175.1° |
| H21 | C18 | C20 | H22 | 65.8° | 64.9° |
| H21 | C18 | N3 | C14 | 2.3° | 35.0° |
| H21 | C18 | C19 | N4 | 28.2° | 41.9° |
| O9 | C19 | N4 | C23 | 13.1° | 5.0° |
| O9 | C19 | N4 | H29 | 166.8° | 175.1° |
| C21 | C20 | C22 | H22 | 119.4° | 120.0° |
| C20 | C21 | H23 | H24 | 120.0° | 119.9° |
| C20 | C21 | H23 | H25 | 120.0° | 120.1° |
| C20 | C21 | H24 | H25 | 120.0° | 120.1° |
| C21 | C20 | C22 | H26 | 58.2° | 180.0° |
| C21 | C20 | C22 | H27 | 61.8° | 60.0° |
| C21 | C20 | C22 | H28 | 178.2° | 60.0° |
| C22 | C20 | C21 | H23 | 58.1° | 52.6° |
| C22 | C20 | C21 | H24 | 178.1° | 67.3° |
| C22 | C20 | C21 | H25 | 61.9° | 172.7° |
| C20 | C22 | H26 | H27 | 120.0° | 120.0° |
| C20 | C22 | H26 | H28 | 120.0° | 120.0° |
| C20 | C22 | H27 | H28 | 120.0° | 120.0° |
| H22 | C20 | C21 | H23 | 61.3° | 172.7° |
| H22 | C20 | C21 | H24 | 58.7° | 52.8° |
| H22 | C20 | C21 | H25 | 178.7° | 67.2° |
| H22 | C20 | C22 | H26 | 61.2° | 60.0° |
| H22 | C20 | C22 | H27 | 178.8° | 60.0° |
| H22 | C20 | C22 | H28 | 58.8° | 180.0° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
| H26 | C22 | H27 | H28 | 120.0° | 120.1° |
| C23 | N4 | H29 | C19 | 180.0° | 179.9° |
| N4 | C23 | C24 | C25 | 124.1° | 120.0° |
| N4 | C23 | C24 | H30 | 118.5° | 120.0° |
| N4 | C23 | C25 | H30 | 118.9° | 120.0° |
| N4 | C23 | C24 | O10 | 178.8° | 15.0° |
| N4 | C23 | C25 | C26 | 89.6° | 65.0° |
| N4 | C23 | C25 | H31 | 31.1° | 55.0° |
| N4 | C23 | C25 | H32 | 149.8° | 175.0° |
| N4 | C23 | C24 | C27 | 1.0° | 165.0° |
| H29 | N4 | C23 | C24 | 85.5° | 95.0° |
| H29 | N4 | C23 | C25 | 37.1° | 25.0° |
| H29 | N4 | C23 | H30 | 155.6° | 145.0° |
| C24 | C23 | C25 | H30 | 118.3° | 120.0° |
| C23 | C24 | O10 | C27 | 179.7° | 180.0° |
| C24 | C23 | C25 | C26 | 147.7° | 175.0° |
| C24 | C23 | C25 | H31 | 91.7° | 65.0° |
| C24 | C23 | C25 | H32 | 27.1° | 55.0° |
| C23 | C24 | C27 | CL1 | 0.7° | 180.0° |
| C23 | C24 | C27 | H34 | 95.5° | 60.0° |
| C23 | C24 | C27 | H35 | 94.1° | 60.0° |
| C24 | C23 | N4 | C19 | 94.5° | 85.0° |
| C25 | C23 | C24 | O10 | 54.7° | 105.0° |
| C23 | C25 | C26 | H31 | 120.6° | 120.0° |
| C23 | C25 | C26 | H32 | 120.6° | 120.0° |
| C23 | C25 | H31 | H32 | 118.1° | 120.0° |
| C23 | C25 | C26 | O11 | 19.3° | 0.0° |
| C23 | C25 | C26 | O12 | 160.7° | 180.0° |
| C25 | C23 | C24 | C27 | 125.0° | 75.0° |
| C25 | C23 | N4 | C19 | 142.9° | 154.9° |
| H30 | C23 | C24 | O10 | 62.7° | 135.0° |
| H30 | C23 | C25 | C26 | 29.4° | 55.0° |
| H30 | C23 | C25 | H31 | 150.0° | 175.0° |
| H30 | C23 | C25 | H32 | 91.2° | 65.1° |
| H30 | C23 | C24 | C27 | 117.5° | 45.0° |
| H30 | C23 | N4 | C19 | 24.4° | 35.0° |
| O10 | C24 | C27 | CL1 | 179.0° | 0.0° |
| O10 | C24 | C27 | H34 | 84.3° | 120.0° |
| O10 | C24 | C27 | H35 | 86.1° | 120.0° |
| C26 | C25 | H31 | H32 | 118.2° | 120.0° |
| C25 | C26 | O11 | O12 | 179.9° | 180.0° |
| C25 | C26 | O12 | H33 | 180.0° | 180.0° |
| H31 | C25 | C26 | O11 | 139.9° | 120.0° |
| H31 | C25 | C26 | O12 | 40.0° | 60.0° |
| H32 | C25 | C26 | O11 | 101.3° | 120.0° |
| H32 | C25 | C26 | O12 | 78.7° | 60.0° |
| O11 | C26 | O12 | H33 | 0.0° | 0.0° |
| CL1 | C27 | H34 | H35 | 171.7° | 120.0° |
| CL1 | C27 | H34 | C24 | 16.7° | 119.9° |
| CL1 | C27 | H35 | C24 | 16.7° | 119.9° |
| H34 | C27 | H35 | C24 | 171.7° | 120.0° |
