PRD_001030
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| 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 | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| N2 | C12 | sing | 1.47Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | O4 | doub | 1.21Å | 1.25Å | |
| C16 | O5 | sing | 1.34Å | 1.25Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å | |
| N3 | C17 | sing | 1.46Å | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | O6 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | N4 | sing | 1.47Å | 1.49Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| N4 | H30 | sing | 1.01Å | 1.00Å | |
| N4 | H31 | sing | 1.01Å | 1.00Å | |
| N4 | H32 | sing | 1.01Å | 1.00Å | |
| O7 | C23 | sing | 1.43Å | 1.22Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C24 | N5 | sing | 1.47Å | 1.45Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| O7 | H34 | sing | 0.97Å | 0.95Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | CL1 | sing | 1.80Å | 58.46Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C13 | N3 | sing | 1.35Å | 1.33Å | |
| C18 | N5 | sing | 1.35Å | 1.42Å | |
| C23 | C26 | sing | 1.53Å | 1.50Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.3° | 120.0° |
| O1 | C1 | N1 | 121.9° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 115.7° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.6° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| C3 | N1 | H4 | 119.5° | 120.0° |
| N1 | C3 | C4 | 110.3° | 109.4° |
| N1 | C3 | C5 | 110.6° | 109.5° |
| N1 | C3 | H5 | 109.4° | 109.5° |
| C3 | N1 | C1 | 121.1° | 120.0° |
| H4 | N1 | C1 | 119.4° | 120.0° |
| C4 | C3 | C5 | 109.4° | 109.5° |
| C4 | C3 | H5 | 108.5° | 109.5° |
| C3 | C4 | O2 | 120.6° | 120.0° |
| C3 | C4 | N2 | 116.4° | 119.9° |
| C5 | C3 | H5 | 108.5° | 109.5° |
| C3 | C5 | C6 | 113.8° | 109.4° |
| C3 | C5 | H6 | 108.4° | 109.5° |
| C3 | C5 | H7 | 108.4° | 109.5° |
| O2 | C4 | N2 | 122.9° | 120.0° |
| C6 | C5 | H6 | 108.4° | 109.5° |
| C6 | C5 | H7 | 108.4° | 109.4° |
| C5 | C6 | C7 | 120.5° | 120.0° |
| C5 | C6 | C8 | 120.8° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 118.6° | 120.0° |
| C6 | C7 | C9 | 120.9° | 120.0° |
| C6 | C7 | H8 | 119.6° | 120.0° |
| C6 | C8 | C10 | 120.8° | 120.0° |
| C6 | C8 | H9 | 119.6° | 120.0° |
| C9 | C7 | H8 | 119.6° | 120.0° |
| C7 | C9 | C11 | 119.9° | 120.0° |
| C7 | C9 | H10 | 120.1° | 120.0° |
| C10 | C8 | H9 | 119.6° | 120.1° |
| C8 | C10 | C11 | 119.9° | 120.0° |
| C8 | C10 | H11 | 120.0° | 120.0° |
| C11 | C9 | H10 | 120.0° | 120.0° |
| C9 | C11 | C10 | 119.8° | 120.0° |
| C9 | C11 | H12 | 120.1° | 120.0° |
| C11 | C10 | H11 | 120.0° | 120.0° |
| C10 | C11 | H12 | 120.0° | 120.0° |
| C12 | N2 | H13 | 119.3° | 120.0° |
| N2 | C12 | C13 | 111.7° | 109.5° |
| N2 | C12 | C14 | 111.1° | 109.5° |
| N2 | C12 | H14 | 108.4° | 109.5° |
| C12 | N2 | C4 | 121.4° | 120.0° |
| H13 | N2 | C4 | 119.3° | 120.1° |
| C13 | C12 | C14 | 110.2° | 109.5° |
| C13 | C12 | H14 | 107.7° | 109.5° |
| C12 | C13 | O3 | 121.0° | 120.0° |
| C12 | C13 | N3 | 115.9° | 120.0° |
| C14 | C12 | H14 | 107.6° | 109.5° |
| C12 | C14 | C15 | 114.1° | 109.4° |
| C12 | C14 | H15 | 108.3° | 109.4° |
| C12 | C14 | H16 | 108.3° | 109.5° |
| O3 | C13 | N3 | 123.2° | 120.1° |
| C15 | C14 | H15 | 108.3° | 109.5° |
| C15 | C14 | H16 | 108.3° | 109.5° |
| C14 | C15 | C16 | 112.5° | 109.4° |
| C14 | C15 | H17 | 108.7° | 109.5° |
| C14 | C15 | H18 | 108.7° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| C16 | C15 | H17 | 108.7° | 109.5° |
| C16 | C15 | H18 | 108.7° | 109.5° |
| C15 | C16 | O4 | 118.5° | 120.0° |
| C15 | C16 | O5 | 118.4° | 120.0° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| O4 | C16 | O5 | 123.0° | 120.0° |
| C16 | O5 | H19 | 109.5° | 117.0° |
| C17 | N3 | H20 | 119.0° | 120.1° |
| N3 | C17 | C18 | 110.6° | 109.5° |
| N3 | C17 | C19 | 110.5° | 109.5° |
| N3 | C17 | H21 | 109.2° | 109.5° |
| C17 | N3 | C13 | 121.9° | 119.9° |
| H20 | N3 | C13 | 119.1° | 120.0° |
| C18 | C17 | C19 | 109.9° | 109.4° |
| C18 | C17 | H21 | 108.3° | 109.5° |
| C17 | C18 | O6 | 120.7° | 120.0° |
| C17 | C18 | N5 | 116.0° | 120.0° |
| C19 | C17 | H21 | 108.2° | 109.4° |
| C17 | C19 | C20 | 113.7° | 109.5° |
| C17 | C19 | H22 | 108.4° | 109.4° |
| C17 | C19 | H23 | 108.4° | 109.5° |
| O6 | C18 | N5 | 106.6° | 120.0° |
| C20 | C19 | H22 | 108.4° | 109.5° |
| C20 | C19 | H23 | 108.4° | 109.5° |
| C19 | C20 | C21 | 111.6° | 109.5° |
| C19 | C20 | H24 | 108.9° | 109.4° |
| C19 | C20 | H25 | 109.0° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| C21 | C20 | H24 | 109.0° | 109.5° |
| C21 | C20 | H25 | 108.9° | 109.4° |
| C20 | C21 | C22 | 110.9° | 109.5° |
| C20 | C21 | H26 | 109.1° | 109.4° |
| C20 | C21 | H27 | 109.1° | 109.4° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| C22 | C21 | H26 | 109.1° | 109.5° |
| C22 | C21 | H27 | 109.1° | 109.5° |
| C21 | C22 | N4 | 112.1° | 109.5° |
| C21 | C22 | H28 | 108.8° | 109.4° |
| C21 | C22 | H29 | 108.8° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| N4 | C22 | H28 | 108.8° | 109.5° |
| N4 | C22 | H29 | 108.8° | 109.5° |
| C22 | N4 | H30 | 109.5° | 109.5° |
| C22 | N4 | H31 | 109.5° | 109.5° |
| C22 | N4 | H32 | 109.5° | 109.4° |
| H28 | C22 | H29 | 109.5° | 109.5° |
| H30 | N4 | H31 | 109.5° | 109.4° |
| H30 | N4 | H32 | 109.5° | 109.5° |
| H31 | N4 | H32 | 109.4° | 109.6° |
| O7 | C23 | C24 | 119.3° | 109.5° |
| C23 | O7 | H34 | 109.5° | 114.0° |
| O7 | C23 | H39 | 90.0° | 109.5° |
| O7 | C23 | C26 | 121.9° | 109.5° |
| C23 | C24 | N5 | 109.5° | 109.5° |
| C23 | C24 | C25 | 109.7° | 109.5° |
| C23 | C24 | H35 | 109.3° | 109.5° |
| C24 | C23 | H39 | 90.0° | 109.5° |
| C24 | C23 | C26 | 118.8° | 109.4° |
| C24 | N5 | H33 | 122.2° | 120.0° |
| N5 | C24 | C25 | 109.4° | 109.5° |
| N5 | C24 | H35 | 110.0° | 109.5° |
| C24 | N5 | C18 | 115.6° | 120.0° |
| H33 | N5 | C18 | 122.2° | 120.1° |
| C25 | C24 | H35 | 109.0° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C24 | C25 | H37 | 109.5° | 109.5° |
| C24 | C25 | H38 | 109.5° | 109.5° |
| H36 | C25 | H37 | 109.5° | 109.5° |
| H36 | C25 | H38 | 109.4° | 109.4° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| H39 | C23 | C26 | 90.0° | 109.4° |
| CL1 | C26 | H40 | 122.8° | 109.5° |
| CL1 | C26 | H41 | 122.8° | 109.4° |
| CL1 | C26 | C23 | 40.8° | 109.5° |
| H40 | C26 | H41 | 109.5° | 109.6° |
| H40 | C26 | C23 | 122.8° | 109.5° |
| H41 | C26 | C23 | 122.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 175.1° | 179.8° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 18.2° | 0.0° |
| O1 | C1 | N1 | H4 | 161.8° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 119.9° |
| C2 | C1 | N1 | C3 | 156.9° | 179.7° |
| C2 | C1 | N1 | H4 | 23.1° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 175.1° | 179.7° |
| H2 | C2 | C1 | N1 | 64.9° | 59.7° |
| H3 | C2 | C1 | N1 | 55.1° | 60.2° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 121.9° | 120.0° |
| N1 | C3 | C4 | H5 | 119.9° | 120.0° |
| N1 | C3 | C5 | H5 | 120.0° | 120.0° |
| N1 | C3 | C4 | O2 | 21.8° | 20.0° |
| N1 | C3 | C5 | C6 | 89.0° | 65.0° |
| N1 | C3 | C5 | H6 | 150.3° | 55.0° |
| N1 | C3 | C5 | H7 | 31.6° | 175.0° |
| N1 | C3 | C4 | N2 | 158.1° | 160.0° |
| H4 | N1 | C3 | C4 | 115.1° | 120.0° |
| H4 | N1 | C3 | C5 | 6.1° | 120.0° |
| H4 | N1 | C3 | H5 | 125.6° | 0.0° |
| C4 | C3 | C5 | H5 | 118.3° | 120.0° |
| C3 | C4 | O2 | N2 | 179.9° | 180.0° |
| C4 | C3 | C5 | C6 | 32.6° | 175.0° |
| C4 | C3 | C5 | H6 | 88.0° | 65.0° |
| C4 | C3 | C5 | H7 | 153.3° | 55.1° |
| C3 | C4 | N2 | C12 | 175.9° | 180.0° |
| C3 | C4 | N2 | H13 | 4.1° | 0.1° |
| C4 | C3 | N1 | C1 | 64.9° | 60.0° |
| C5 | C3 | C4 | O2 | 100.0° | 100.0° |
| C3 | C5 | C6 | H6 | 120.6° | 120.0° |
| C3 | C5 | C6 | H7 | 120.7° | 120.0° |
| C3 | C5 | H6 | H7 | 118.1° | 120.1° |
| C3 | C5 | C6 | C7 | 88.8° | 90.0° |
| C3 | C5 | C6 | C8 | 91.1° | 90.3° |
| C5 | C3 | N1 | C1 | 173.9° | 60.0° |
| C5 | C3 | C4 | N2 | 80.1° | 80.0° |
| H5 | C3 | C4 | O2 | 141.7° | 140.0° |
| H5 | C3 | C5 | C6 | 150.9° | 55.0° |
| H5 | C3 | C5 | H6 | 30.3° | 175.0° |
| H5 | C3 | C5 | H7 | 88.4° | 65.0° |
| H5 | C3 | N1 | C1 | 54.5° | 180.0° |
| H5 | C3 | C4 | N2 | 38.2° | 40.0° |
| O2 | C4 | N2 | C12 | 4.2° | 0.0° |
| O2 | C4 | N2 | H13 | 175.8° | 180.0° |
| C6 | C5 | H6 | H7 | 118.0° | 120.0° |
| C5 | C6 | C7 | C8 | 180.0° | 179.7° |
| C5 | C6 | C7 | C9 | 179.9° | 180.0° |
| C5 | C6 | C7 | H8 | 0.0° | 0.0° |
| C5 | C6 | C8 | C10 | 179.9° | 180.0° |
| C5 | C6 | C8 | H9 | 0.1° | 0.0° |
| H6 | C5 | C6 | C7 | 31.8° | 30.0° |
| H6 | C5 | C6 | C8 | 148.2° | 149.7° |
| H7 | C5 | C6 | C7 | 150.5° | 150.0° |
| H7 | C5 | C6 | C8 | 29.5° | 29.7° |
| C6 | C7 | C9 | H8 | 180.0° | 180.0° |
| C7 | C6 | C8 | C10 | 0.1° | 0.3° |
| C7 | C6 | C8 | H9 | 179.9° | 179.7° |
| C6 | C7 | C9 | C11 | 0.0° | 0.0° |
| C6 | C7 | C9 | H10 | 180.0° | 180.0° |
| C8 | C6 | C7 | C9 | 0.0° | 0.3° |
| C8 | C6 | C7 | H8 | 180.0° | 179.7° |
| C6 | C8 | C10 | H9 | 180.0° | 180.0° |
| C6 | C8 | C10 | C11 | 0.1° | 0.1° |
| C6 | C8 | C10 | H11 | 179.9° | 180.0° |
| C7 | C9 | C11 | H10 | 180.0° | 180.0° |
| C7 | C9 | C11 | C10 | 0.0° | 0.2° |
| C7 | C9 | C11 | H12 | 180.0° | 180.0° |
| H8 | C7 | C9 | C11 | 180.0° | 180.0° |
| H8 | C7 | C9 | H10 | 0.0° | 0.0° |
| C8 | C10 | C11 | C9 | 0.1° | 0.2° |
| C8 | C10 | C11 | H11 | 180.0° | 180.0° |
| C8 | C10 | C11 | H12 | 179.9° | 180.0° |
| H9 | C8 | C10 | C11 | 179.9° | 180.0° |
| H9 | C8 | C10 | H11 | 0.1° | 0.0° |
| C9 | C11 | C10 | H12 | 180.0° | 179.8° |
| C9 | C11 | C10 | H11 | 179.9° | 179.7° |
| H10 | C9 | C11 | C10 | 180.0° | 179.8° |
| H10 | C9 | C11 | H12 | 0.0° | 0.0° |
| H11 | C10 | C11 | H12 | 0.1° | 0.1° |
| C12 | N2 | H13 | C4 | 180.0° | 179.9° |
| N2 | C12 | C13 | C14 | 124.0° | 120.0° |
| N2 | C12 | C13 | H14 | 118.9° | 120.0° |
| N2 | C12 | C14 | H14 | 118.5° | 120.0° |
| N2 | C12 | C13 | O3 | 57.1° | 0.0° |
| N2 | C12 | C14 | C15 | 70.9° | 65.0° |
| N2 | C12 | C14 | H15 | 49.8° | 55.0° |
| N2 | C12 | C14 | H16 | 168.4° | 175.0° |
| N2 | C12 | C13 | N3 | 122.7° | 180.0° |
| H13 | N2 | C12 | C13 | 25.6° | 25.1° |
| H13 | N2 | C12 | C14 | 97.9° | 94.9° |
| H13 | N2 | C12 | H14 | 144.1° | 145.0° |
| C13 | C12 | C14 | H14 | 117.1° | 120.0° |
| C12 | C13 | O3 | N3 | 179.8° | 180.0° |
| C13 | C12 | C14 | C15 | 164.7° | 175.0° |
| C13 | C12 | C14 | H15 | 74.6° | 65.0° |
| C13 | C12 | C14 | H16 | 44.1° | 55.0° |
| C12 | C13 | N3 | C17 | 178.5° | 180.0° |
| C12 | C13 | N3 | H20 | 1.5° | 0.0° |
| C13 | C12 | N2 | C4 | 154.4° | 155.0° |
| C14 | C12 | C13 | O3 | 66.9° | 120.0° |
| C12 | C14 | C15 | H15 | 120.7° | 119.9° |
| C12 | C14 | C15 | H16 | 120.7° | 120.0° |
| C12 | C14 | H15 | H16 | 117.9° | 120.0° |
| C12 | C14 | C15 | C16 | 153.7° | 180.0° |
| C12 | C14 | C15 | H17 | 33.3° | 60.0° |
| C12 | C14 | C15 | H18 | 85.8° | 60.0° |
| C14 | C12 | N2 | C4 | 82.1° | 85.0° |
| C14 | C12 | C13 | N3 | 113.3° | 60.0° |
| H14 | C12 | C13 | O3 | 176.1° | 120.0° |
| H14 | C12 | C14 | C15 | 47.6° | 55.0° |
| H14 | C12 | C14 | H15 | 168.3° | 175.0° |
| H14 | C12 | C14 | H16 | 73.0° | 65.0° |
| H14 | C12 | N2 | C4 | 35.9° | 35.1° |
| H14 | C12 | C13 | N3 | 3.8° | 60.0° |
| O3 | C13 | N3 | C17 | 1.7° | 0.0° |
| O3 | C13 | N3 | H20 | 178.3° | 179.9° |
| C15 | C14 | H15 | H16 | 117.9° | 120.0° |
| C14 | C15 | C16 | H17 | 120.5° | 120.0° |
| C14 | C15 | C16 | H18 | 120.4° | 120.0° |
| C14 | C15 | H17 | H18 | 118.6° | 120.0° |
| C14 | C15 | C16 | O4 | 148.6° | 0.0° |
| C14 | C15 | C16 | O5 | 31.4° | 180.0° |
| H15 | C14 | C15 | C16 | 85.6° | 60.0° |
| H15 | C14 | C15 | H17 | 154.0° | 180.0° |
| H15 | C14 | C15 | H18 | 34.9° | 60.0° |
| H16 | C14 | C15 | C16 | 33.1° | 60.0° |
| H16 | C14 | C15 | H17 | 87.4° | 60.0° |
| H16 | C14 | C15 | H18 | 153.5° | 180.0° |
| C16 | C15 | H17 | H18 | 118.6° | 120.0° |
| C15 | C16 | O4 | O5 | 180.0° | 180.0° |
| C15 | C16 | O5 | H19 | 180.0° | 180.0° |
| H17 | C15 | C16 | O4 | 91.0° | 120.0° |
| H17 | C15 | C16 | O5 | 89.0° | 59.9° |
| H18 | C15 | C16 | O4 | 28.1° | 120.0° |
| H18 | C15 | C16 | O5 | 151.9° | 60.0° |
| O4 | C16 | O5 | H19 | 0.0° | 0.0° |
| C17 | N3 | H20 | C13 | 180.0° | 179.9° |
| N3 | C17 | C18 | C19 | 122.3° | 120.0° |
| N3 | C17 | C18 | H21 | 119.6° | 120.1° |
| N3 | C17 | C19 | H21 | 119.5° | 120.0° |
| N3 | C17 | C18 | O6 | 18.4° | 0.1° |
| N3 | C17 | C19 | C20 | 60.2° | 65.0° |
| N3 | C17 | C19 | H22 | 179.2° | 55.0° |
| N3 | C17 | C19 | H23 | 60.4° | 174.9° |
| N3 | C17 | C18 | N5 | 112.9° | 180.0° |
| H20 | N3 | C17 | C18 | 93.3° | 24.9° |
| H20 | N3 | C17 | C19 | 28.7° | 95.0° |
| H20 | N3 | C17 | H21 | 147.6° | 145.0° |
| C18 | C17 | C19 | H21 | 118.1° | 120.0° |
| C17 | C18 | O6 | N5 | 135.2° | 180.0° |
| C18 | C17 | C19 | C20 | 62.2° | 175.0° |
| C18 | C17 | C19 | H22 | 58.4° | 65.0° |
| C18 | C17 | C19 | H23 | 177.2° | 55.0° |
| C17 | C18 | N5 | C24 | 157.1° | 180.0° |
| C17 | C18 | N5 | H33 | 22.9° | 0.0° |
| C18 | C17 | N3 | C13 | 86.7° | 155.0° |
| C19 | C17 | C18 | O6 | 103.9° | 120.0° |
| C17 | C19 | C20 | H22 | 120.6° | 119.9° |
| C17 | C19 | C20 | H23 | 120.6° | 120.1° |
| C17 | C19 | H22 | H23 | 118.0° | 120.0° |
| C17 | C19 | C20 | C21 | 170.2° | 180.0° |
| C17 | C19 | C20 | H24 | 69.5° | 60.0° |
| C17 | C19 | C20 | H25 | 49.9° | 60.0° |
| C19 | C17 | N3 | C13 | 151.4° | 85.0° |
| C19 | C17 | C18 | N5 | 124.8° | 60.0° |
| H21 | C17 | C18 | O6 | 138.0° | 120.0° |
| H21 | C17 | C19 | C20 | 179.7° | 55.0° |
| H21 | C17 | C19 | H22 | 59.7° | 175.0° |
| H21 | C17 | C19 | H23 | 59.1° | 65.0° |
| H21 | C17 | N3 | C13 | 32.4° | 35.0° |
| H21 | C17 | C18 | N5 | 6.7° | 60.0° |
| O6 | C18 | N5 | C24 | 19.5° | 0.0° |
| O6 | C18 | N5 | H33 | 160.5° | 180.0° |
| C20 | C19 | H22 | H23 | 118.1° | 120.0° |
| C19 | C20 | C21 | H24 | 120.3° | 120.0° |
| C19 | C20 | C21 | H25 | 120.3° | 120.0° |
| C19 | C20 | H24 | H25 | 119.1° | 120.0° |
| C19 | C20 | C21 | C22 | 176.0° | 180.0° |
| C19 | C20 | C21 | H26 | 55.8° | 60.0° |
| C19 | C20 | C21 | H27 | 63.8° | 60.0° |
| H22 | C19 | C20 | C21 | 49.6° | 60.0° |
| H22 | C19 | C20 | H24 | 169.9° | 180.0° |
| H22 | C19 | C20 | H25 | 70.7° | 59.9° |
| H23 | C19 | C20 | C21 | 69.2° | 60.0° |
| H23 | C19 | C20 | H24 | 51.1° | 60.0° |
| H23 | C19 | C20 | H25 | 170.5° | 179.9° |
| C21 | C20 | H24 | H25 | 119.0° | 120.0° |
| C20 | C21 | C22 | H26 | 120.2° | 120.0° |
| C20 | C21 | C22 | H27 | 120.2° | 120.0° |
| C20 | C21 | H26 | H27 | 119.4° | 120.0° |
| C20 | C21 | C22 | N4 | 175.0° | 180.0° |
| C20 | C21 | C22 | H28 | 64.6° | 60.0° |
| C20 | C21 | C22 | H29 | 54.5° | 60.0° |
| H24 | C20 | C21 | C22 | 63.7° | 60.0° |
| H24 | C20 | C21 | H26 | 176.1° | 180.0° |
| H24 | C20 | C21 | H27 | 56.5° | 60.0° |
| H25 | C20 | C21 | C22 | 55.7° | 60.0° |
| H25 | C20 | C21 | H26 | 64.5° | 60.0° |
| H25 | C20 | C21 | H27 | 175.9° | 180.0° |
| C22 | C21 | H26 | H27 | 119.3° | 120.0° |
| C21 | C22 | N4 | H28 | 120.4° | 120.0° |
| C21 | C22 | N4 | H29 | 120.4° | 120.0° |
| C21 | C22 | H28 | H29 | 118.8° | 120.0° |
| C21 | C22 | N4 | H30 | 180.0° | 60.0° |
| C21 | C22 | N4 | H31 | 60.0° | 59.9° |
| C21 | C22 | N4 | H32 | 60.0° | 180.0° |
| H26 | C21 | C22 | N4 | 54.8° | 60.1° |
| H26 | C21 | C22 | H28 | 175.2° | 180.0° |
| H26 | C21 | C22 | H29 | 65.7° | 59.9° |
| H27 | C21 | C22 | N4 | 64.8° | 60.0° |
| H27 | C21 | C22 | H28 | 55.6° | 60.0° |
| H27 | C21 | C22 | H29 | 174.8° | 180.0° |
| N4 | C22 | H28 | H29 | 118.8° | 120.0° |
| C22 | N4 | H30 | H31 | 120.0° | 120.0° |
| C22 | N4 | H30 | H32 | 120.0° | 120.0° |
| C22 | N4 | H31 | H32 | 120.0° | 120.0° |
| H28 | C22 | N4 | H30 | 59.6° | 180.0° |
| H28 | C22 | N4 | H31 | 179.6° | 60.1° |
| H28 | C22 | N4 | H32 | 60.4° | 60.1° |
| H29 | C22 | N4 | H30 | 59.6° | 60.0° |
| H29 | C22 | N4 | H31 | 60.4° | 179.9° |
| H29 | C22 | N4 | H32 | 179.6° | 60.0° |
| H30 | N4 | H31 | H32 | 120.0° | 120.0° |
| O7 | C23 | C24 | H39 | 90.0° | 120.1° |
| O7 | C23 | C24 | C26 | 179.9° | 120.0° |
| O7 | C23 | C24 | N5 | 151.5° | 65.0° |
| O7 | C23 | C24 | C25 | 31.5° | 55.0° |
| O7 | C23 | C24 | H35 | 88.0° | 175.0° |
| O7 | C23 | H39 | C26 | 121.9° | 120.0° |
| O7 | C23 | C26 | CL1 | 20.0° | 65.0° |
| O7 | C23 | C26 | H40 | 123.9° | 175.0° |
| O7 | C23 | C26 | H41 | 83.8° | 54.9° |
| C23 | C24 | N5 | C25 | 120.3° | 120.0° |
| C23 | C24 | N5 | H35 | 120.1° | 120.0° |
| C23 | C24 | N5 | H33 | 95.3° | 25.0° |
| C24 | C23 | O7 | H34 | 180.0° | 60.0° |
| C23 | C24 | C25 | H35 | 119.6° | 120.0° |
| C23 | C24 | C25 | H36 | 180.0° | 60.0° |
| C23 | C24 | C25 | H37 | 60.0° | 180.0° |
| C23 | C24 | C25 | H38 | 60.0° | 60.0° |
| C24 | C23 | H39 | C26 | 118.8° | 119.9° |
| C24 | C23 | C26 | CL1 | 159.9° | 175.0° |
| C24 | C23 | C26 | H40 | 56.1° | 55.0° |
| C24 | C23 | C26 | H41 | 96.3° | 65.1° |
| C23 | C24 | N5 | C18 | 84.7° | 155.0° |
| C24 | N5 | H33 | C18 | 180.0° | 180.0° |
| N5 | C24 | C25 | H35 | 120.2° | 120.0° |
| N5 | C24 | C25 | H36 | 59.9° | 180.0° |
| N5 | C24 | C25 | H37 | 60.1° | 60.0° |
| N5 | C24 | C25 | H38 | 179.9° | 60.0° |
| N5 | C24 | C23 | H39 | 61.5° | 55.0° |
| N5 | C24 | C23 | C26 | 28.5° | 175.0° |
| H33 | N5 | C24 | C25 | 25.0° | 95.0° |
| H33 | N5 | C24 | H35 | 144.6° | 145.0° |
| H34 | O7 | C23 | H39 | 90.0° | 180.0° |
| H34 | O7 | C23 | C26 | 0.1° | 60.0° |
| C24 | C25 | H36 | H37 | 120.0° | 120.0° |
| C24 | C25 | H36 | H38 | 120.0° | 120.0° |
| C24 | C25 | H37 | H38 | 120.0° | 120.0° |
| C25 | C24 | C23 | H39 | 58.6° | 175.0° |
| C25 | C24 | N5 | C18 | 155.0° | 85.0° |
| C25 | C24 | C23 | C26 | 148.6° | 65.0° |
| H35 | C24 | C25 | H36 | 60.3° | 60.0° |
| H35 | C24 | C25 | H37 | 179.6° | 60.0° |
| H35 | C24 | C25 | H38 | 59.6° | 180.0° |
| H35 | C24 | C23 | H39 | 178.0° | 65.0° |
| H35 | C24 | N5 | C18 | 35.4° | 35.0° |
| H35 | C24 | C23 | C26 | 92.0° | 55.0° |
| H36 | C25 | H37 | H38 | 119.9° | 119.9° |
| H39 | C23 | C26 | CL1 | 110.1° | 55.0° |
| H39 | C23 | C26 | H40 | 146.1° | 64.9° |
| H39 | C23 | C26 | H41 | 6.3° | 175.0° |
| CL1 | C26 | H40 | H41 | 155.5° | 120.0° |
| CL1 | C26 | H40 | C23 | 49.0° | 120.0° |
| CL1 | C26 | H41 | C23 | 48.9° | 119.9° |
| H40 | C26 | H41 | C23 | 155.5° | 120.1° |
