PRD_002159
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.34Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.26Å | |
| C4 | O3 | sing | 1.34Å | 1.41Å | |
| O3 | C5 | sing | 1.45Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.46Å | 1.44Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | O4 | doub | 1.21Å | 1.26Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.46Å | 1.45Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | O5 | doub | 1.21Å | 1.25Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| N3 | C16 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C14 | sing | 1.54Å | 1.54Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | O6 | doub | 1.21Å | 1.25Å | |
| C14 | C15 | sing | 1.55Å | 1.46Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.55Å | 1.48Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | C17 | sing | 1.47Å | 1.44Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.57Å | |
| C17 | C19 | sing | 1.53Å | 1.56Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | O7 | doub | 1.21Å | 1.36Å | |
| C18 | C26 | sing | 1.51Å | 1.57Å | |
| C19 | C21 | sing | 1.51Å | 1.52Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C25 | H33 | sing | 1.08Å | 1.08Å | |
| C26 | CL1 | sing | 1.80Å | 27.00Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.28Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| C10 | N3 | sing | 1.35Å | 1.34Å | |
| C13 | N4 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.3° | 120.0° |
| O1 | C1 | N1 | 123.1° | 120.0° |
| C1 | C2 | C3 | 118.3° | 109.5° |
| C1 | C2 | H1 | 107.2° | 109.4° |
| C1 | C2 | H2 | 107.2° | 109.5° |
| C2 | C1 | N1 | 114.5° | 120.0° |
| C3 | C2 | H1 | 107.2° | 109.4° |
| C3 | C2 | H2 | 107.2° | 109.5° |
| C2 | C3 | C4 | 115.4° | 109.5° |
| C2 | C3 | H3 | 108.0° | 109.4° |
| C2 | C3 | H4 | 108.0° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.5° |
| C4 | C3 | H4 | 108.0° | 109.5° |
| C3 | C4 | O2 | 130.6° | 120.0° |
| C3 | C4 | O3 | 109.2° | 120.0° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| O2 | C4 | O3 | 120.1° | 120.0° |
| C4 | O3 | C5 | 116.6° | 117.0° |
| O3 | C5 | H5 | 109.5° | 109.4° |
| O3 | C5 | H6 | 109.5° | 109.5° |
| O3 | C5 | H7 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.4° | 109.4° |
| H5 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C6 | N1 | H8 | 119.0° | 120.0° |
| N1 | C6 | C7 | 111.3° | 109.5° |
| N1 | C6 | C8 | 106.4° | 109.5° |
| N1 | C6 | H9 | 110.7° | 109.5° |
| C6 | N1 | C1 | 122.0° | 120.0° |
| H8 | N1 | C1 | 119.0° | 120.0° |
| C7 | C6 | C8 | 109.3° | 109.5° |
| C7 | C6 | H9 | 109.8° | 109.5° |
| C6 | C7 | O4 | 122.6° | 120.0° |
| C6 | C7 | N2 | 114.4° | 120.0° |
| C8 | C6 | H9 | 109.3° | 109.5° |
| C6 | C8 | H10 | 109.5° | 109.5° |
| C6 | C8 | H11 | 109.4° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| O4 | C7 | N2 | 122.8° | 120.0° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H10 | C8 | H12 | 109.4° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| C9 | N2 | H13 | 117.7° | 120.0° |
| N2 | C9 | C10 | 107.2° | 109.5° |
| N2 | C9 | C11 | 111.1° | 109.5° |
| N2 | C9 | H14 | 110.1° | 109.5° |
| C9 | N2 | C7 | 124.7° | 120.0° |
| H13 | N2 | C7 | 117.7° | 120.0° |
| C10 | C9 | C11 | 110.4° | 109.5° |
| C10 | C9 | H14 | 108.9° | 109.4° |
| C9 | C10 | O5 | 120.5° | 120.0° |
| C9 | C10 | N3 | 117.8° | 120.1° |
| C11 | C9 | H14 | 109.1° | 109.5° |
| C9 | C11 | H15 | 109.5° | 109.4° |
| C9 | C11 | H16 | 109.5° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.4° |
| O5 | C10 | N3 | 121.6° | 119.9° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| C12 | N3 | C16 | 111.3° | 108.7° |
| N3 | C12 | C13 | 109.9° | 109.8° |
| N3 | C12 | C14 | 103.0° | 107.3° |
| N3 | C12 | H18 | 111.5° | 109.9° |
| C12 | N3 | C10 | 119.6° | 125.7° |
| N3 | C16 | C15 | 102.4° | 104.7° |
| N3 | C16 | H23 | 111.2° | 110.4° |
| N3 | C16 | H24 | 111.2° | 110.3° |
| C16 | N3 | C10 | 129.1° | 125.6° |
| C13 | C12 | C14 | 110.8° | 109.9° |
| C13 | C12 | H18 | 110.9° | 109.9° |
| C12 | C13 | O6 | 119.8° | 120.0° |
| C12 | C13 | N4 | 116.7° | 120.0° |
| C14 | C12 | H18 | 110.5° | 110.0° |
| C12 | C14 | C15 | 107.5° | 103.0° |
| C12 | C14 | H19 | 110.0° | 110.7° |
| C12 | C14 | H20 | 110.0° | 110.7° |
| O6 | C13 | N4 | 123.3° | 120.0° |
| C15 | C14 | H19 | 110.0° | 110.7° |
| C15 | C14 | H20 | 110.0° | 110.7° |
| C14 | C15 | C16 | 107.6° | 101.5° |
| C14 | C15 | H21 | 109.9° | 111.0° |
| C14 | C15 | H22 | 109.9° | 111.0° |
| H19 | C14 | H20 | 109.5° | 110.8° |
| C16 | C15 | H21 | 109.9° | 111.2° |
| C16 | C15 | H22 | 110.0° | 110.9° |
| C15 | C16 | H23 | 111.2° | 110.5° |
| C15 | C16 | H24 | 111.2° | 110.4° |
| H21 | C15 | H22 | 109.5° | 110.9° |
| H23 | C16 | H24 | 109.4° | 110.4° |
| C17 | N4 | H25 | 119.4° | 120.0° |
| N4 | C17 | C18 | 111.2° | 109.4° |
| N4 | C17 | C19 | 109.9° | 109.5° |
| N4 | C17 | H26 | 109.2° | 109.5° |
| C17 | N4 | C13 | 121.3° | 120.0° |
| H25 | N4 | C13 | 119.3° | 120.0° |
| C18 | C17 | C19 | 111.3° | 109.5° |
| C18 | C17 | H26 | 107.6° | 109.5° |
| C17 | C18 | O7 | 110.4° | 120.0° |
| C17 | C18 | C26 | 112.4° | 120.0° |
| C19 | C17 | H26 | 107.6° | 109.5° |
| C17 | C19 | C21 | 116.5° | 109.5° |
| C17 | C19 | H27 | 107.7° | 109.5° |
| C17 | C19 | H28 | 107.7° | 109.4° |
| O7 | C18 | C26 | 114.3° | 120.0° |
| C18 | C26 | CL1 | 100.7° | 109.5° |
| C18 | C26 | H34 | 111.6° | 109.5° |
| C18 | C26 | H35 | 111.6° | 109.5° |
| C21 | C19 | H27 | 107.7° | 109.5° |
| C21 | C19 | H28 | 107.7° | 109.5° |
| C19 | C21 | C20 | 123.1° | 120.0° |
| C19 | C21 | C22 | 119.3° | 120.0° |
| H27 | C19 | H28 | 109.4° | 109.5° |
| C21 | C20 | C25 | 120.0° | 120.0° |
| C21 | C20 | H29 | 120.0° | 119.9° |
| C20 | C21 | C22 | 117.5° | 120.0° |
| C25 | C20 | H29 | 120.0° | 120.1° |
| C20 | C25 | C24 | 121.5° | 120.1° |
| C20 | C25 | H33 | 119.3° | 120.0° |
| C21 | C22 | C23 | 123.9° | 120.0° |
| C21 | C22 | H30 | 118.0° | 120.0° |
| C23 | C22 | H30 | 118.0° | 120.0° |
| C22 | C23 | C24 | 118.3° | 120.0° |
| C22 | C23 | H31 | 120.8° | 120.0° |
| C24 | C23 | H31 | 120.8° | 120.0° |
| C23 | C24 | C25 | 118.5° | 120.0° |
| C23 | C24 | H32 | 120.7° | 120.0° |
| C25 | C24 | H32 | 120.7° | 120.0° |
| C24 | C25 | H33 | 119.2° | 119.9° |
| CL1 | C26 | H34 | 111.6° | 109.4° |
| CL1 | C26 | H35 | 111.6° | 109.5° |
| H34 | C26 | H35 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.4° | 179.7° |
| O1 | C1 | C2 | C3 | 23.7° | 0.0° |
| O1 | C1 | C2 | H1 | 97.5° | 120.0° |
| O1 | C1 | C2 | H2 | 145.0° | 120.0° |
| O1 | C1 | N1 | C6 | 1.6° | 0.0° |
| O1 | C1 | N1 | H8 | 178.4° | 180.0° |
| C1 | C2 | C3 | H1 | 121.2° | 119.9° |
| C1 | C2 | C3 | H2 | 121.3° | 120.0° |
| C1 | C2 | H1 | H2 | 116.0° | 120.0° |
| C1 | C2 | C3 | C4 | 161.9° | 180.0° |
| C1 | C2 | C3 | H3 | 41.0° | 60.0° |
| C1 | C2 | C3 | H4 | 77.3° | 59.9° |
| C2 | C1 | N1 | C6 | 177.8° | 179.8° |
| C2 | C1 | N1 | H8 | 2.2° | 0.2° |
| C3 | C2 | H1 | H2 | 116.0° | 120.0° |
| C2 | C3 | C4 | H3 | 120.9° | 120.0° |
| C2 | C3 | C4 | H4 | 120.9° | 120.0° |
| C2 | C3 | H3 | H4 | 117.3° | 119.9° |
| C2 | C3 | C4 | O2 | 15.0° | 0.0° |
| C2 | C3 | C4 | O3 | 162.0° | 180.0° |
| C3 | C2 | C1 | N1 | 155.7° | 179.7° |
| H1 | C2 | C3 | C4 | 76.9° | 60.0° |
| H1 | C2 | C3 | H3 | 162.3° | 179.9° |
| H1 | C2 | C3 | H4 | 44.0° | 60.0° |
| H1 | C2 | C1 | N1 | 83.1° | 59.8° |
| H2 | C2 | C3 | C4 | 40.6° | 60.0° |
| H2 | C2 | C3 | H3 | 80.2° | 60.1° |
| H2 | C2 | C3 | H4 | 161.5° | 180.0° |
| H2 | C2 | C1 | N1 | 34.4° | 60.2° |
| C4 | C3 | H3 | H4 | 117.3° | 120.0° |
| C3 | C4 | O2 | O3 | 176.7° | 180.0° |
| C3 | C4 | O3 | C5 | 125.4° | 180.0° |
| H3 | C3 | C4 | O2 | 105.9° | 120.0° |
| H3 | C3 | C4 | O3 | 77.1° | 60.0° |
| H4 | C3 | C4 | O2 | 135.8° | 120.0° |
| H4 | C3 | C4 | O3 | 41.2° | 60.0° |
| O2 | C4 | O3 | C5 | 57.2° | 0.0° |
| C4 | O3 | C5 | H5 | 180.0° | 180.0° |
| C4 | O3 | C5 | H6 | 60.0° | 60.1° |
| C4 | O3 | C5 | H7 | 60.0° | 60.0° |
| O3 | C5 | H5 | H6 | 120.0° | 119.9° |
| O3 | C5 | H5 | H7 | 120.0° | 120.0° |
| O3 | C5 | H6 | H7 | 120.0° | 120.1° |
| H5 | C5 | H6 | H7 | 120.0° | 120.0° |
| C6 | N1 | H8 | C1 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 117.3° | 120.0° |
| N1 | C6 | C7 | H9 | 122.9° | 120.0° |
| N1 | C6 | C8 | H9 | 119.5° | 120.0° |
| N1 | C6 | C7 | O4 | 18.8° | 0.0° |
| N1 | C6 | C8 | H10 | 180.0° | 180.0° |
| N1 | C6 | C8 | H11 | 60.0° | 60.0° |
| N1 | C6 | C8 | H12 | 60.0° | 60.0° |
| N1 | C6 | C7 | N2 | 166.1° | 180.0° |
| H8 | N1 | C6 | C7 | 69.9° | 25.0° |
| H8 | N1 | C6 | C8 | 49.1° | 95.0° |
| H8 | N1 | C6 | H9 | 167.7° | 145.0° |
| C7 | C6 | C8 | H9 | 120.2° | 120.0° |
| C6 | C7 | O4 | N2 | 174.7° | 180.0° |
| C7 | C6 | C8 | H10 | 59.7° | 60.0° |
| C7 | C6 | C8 | H11 | 179.7° | 180.0° |
| C7 | C6 | C8 | H12 | 60.3° | 59.9° |
| C6 | C7 | N2 | C9 | 174.0° | 180.0° |
| C6 | C7 | N2 | H13 | 6.0° | 0.0° |
| C7 | C6 | N1 | C1 | 110.1° | 155.0° |
| C8 | C6 | C7 | O4 | 98.4° | 120.0° |
| C6 | C8 | H10 | H11 | 120.0° | 120.0° |
| C6 | C8 | H10 | H12 | 120.0° | 120.0° |
| C6 | C8 | H11 | H12 | 120.0° | 120.0° |
| C8 | C6 | N1 | C1 | 130.9° | 85.0° |
| C8 | C6 | C7 | N2 | 76.7° | 60.0° |
| H9 | C6 | C7 | O4 | 141.7° | 120.0° |
| H9 | C6 | C8 | H10 | 60.5° | 60.0° |
| H9 | C6 | C8 | H11 | 59.5° | 60.0° |
| H9 | C6 | C8 | H12 | 179.5° | 179.9° |
| H9 | C6 | N1 | C1 | 12.3° | 35.0° |
| H9 | C6 | C7 | N2 | 43.2° | 60.0° |
| O4 | C7 | N2 | C9 | 1.1° | 0.0° |
| O4 | C7 | N2 | H13 | 178.9° | 180.0° |
| H10 | C8 | H11 | H12 | 120.0° | 120.0° |
| C9 | N2 | H13 | C7 | 180.0° | 180.0° |
| N2 | C9 | C10 | C11 | 121.1° | 120.0° |
| N2 | C9 | C10 | H14 | 119.1° | 120.0° |
| N2 | C9 | C11 | H14 | 121.5° | 120.0° |
| N2 | C9 | C10 | O5 | 16.6° | 25.4° |
| N2 | C9 | C11 | H15 | 180.0° | 65.0° |
| N2 | C9 | C11 | H16 | 60.0° | 175.0° |
| N2 | C9 | C11 | H17 | 60.0° | 55.0° |
| N2 | C9 | C10 | N3 | 164.5° | 154.7° |
| H13 | N2 | C9 | C10 | 39.1° | 25.0° |
| H13 | N2 | C9 | C11 | 81.6° | 95.0° |
| H13 | N2 | C9 | H14 | 157.4° | 145.0° |
| C10 | C9 | C11 | H14 | 119.7° | 120.0° |
| C9 | C10 | O5 | N3 | 178.8° | 179.9° |
| C10 | C9 | C11 | H15 | 61.2° | 55.1° |
| C10 | C9 | C11 | H16 | 178.8° | 65.0° |
| C10 | C9 | C11 | H17 | 58.8° | 175.0° |
| C9 | C10 | N3 | C12 | 178.4° | 175.4° |
| C9 | C10 | N3 | C16 | 1.6° | 4.2° |
| C10 | C9 | N2 | C7 | 140.9° | 155.0° |
| C11 | C9 | C10 | O5 | 104.5° | 94.6° |
| C9 | C11 | H15 | H16 | 120.0° | 120.0° |
| C9 | C11 | H15 | H17 | 120.0° | 119.9° |
| C9 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C9 | N2 | C7 | 98.4° | 85.0° |
| C11 | C9 | C10 | N3 | 74.4° | 85.2° |
| H14 | C9 | C10 | O5 | 135.7° | 145.4° |
| H14 | C9 | C11 | H15 | 58.5° | 175.0° |
| H14 | C9 | C11 | H16 | 61.5° | 55.0° |
| H14 | C9 | C11 | H17 | 178.5° | 65.0° |
| H14 | C9 | N2 | C7 | 22.5° | 35.0° |
| H14 | C9 | C10 | N3 | 45.4° | 34.7° |
| O5 | C10 | N3 | C12 | 2.8° | 4.8° |
| O5 | C10 | N3 | C16 | 177.3° | 175.7° |
| H15 | C11 | H16 | H17 | 120.0° | 120.1° |
| C12 | N3 | C16 | C10 | 179.9° | 179.6° |
| N3 | C12 | C13 | C14 | 113.2° | 117.8° |
| N3 | C12 | C13 | H18 | 123.8° | 121.0° |
| N3 | C12 | C14 | H18 | 119.3° | 119.5° |
| N3 | C12 | C13 | O6 | 38.3° | 0.1° |
| N3 | C12 | C14 | C15 | 4.5° | 22.1° |
| N3 | C12 | C14 | H19 | 115.2° | 140.5° |
| N3 | C12 | C14 | H20 | 124.2° | 96.2° |
| C12 | N3 | C16 | C15 | 26.6° | 24.5° |
| C12 | N3 | C16 | H23 | 145.5° | 94.5° |
| C12 | N3 | C16 | H24 | 92.2° | 143.2° |
| N3 | C12 | C13 | N4 | 146.7° | 180.0° |
| C16 | N3 | C12 | C13 | 104.1° | 120.7° |
| C16 | N3 | C12 | C14 | 14.1° | 1.4° |
| C16 | N3 | C12 | H18 | 132.6° | 118.3° |
| N3 | C16 | C15 | C14 | 28.7° | 37.3° |
| N3 | C16 | C15 | H23 | 118.9° | 118.9° |
| N3 | C16 | C15 | H24 | 118.9° | 118.7° |
| N3 | C16 | C15 | H21 | 148.4° | 80.8° |
| N3 | C16 | C15 | H22 | 91.0° | 155.3° |
| N3 | C16 | H23 | H24 | 123.3° | 122.2° |
| C13 | C12 | C14 | H18 | 123.3° | 121.1° |
| C12 | C13 | O6 | N4 | 174.6° | 179.9° |
| C13 | C12 | C14 | C15 | 122.0° | 97.2° |
| C13 | C12 | C14 | H19 | 2.3° | 21.1° |
| C13 | C12 | C14 | H20 | 118.3° | 144.5° |
| C12 | C13 | N4 | C17 | 174.5° | 179.9° |
| C12 | C13 | N4 | H25 | 5.5° | 0.0° |
| C13 | C12 | N3 | C10 | 76.0° | 59.7° |
| C14 | C12 | C13 | O6 | 74.9° | 117.9° |
| C12 | C14 | C15 | H19 | 119.7° | 118.4° |
| C12 | C14 | C15 | H20 | 119.7° | 118.3° |
| C12 | C14 | H19 | H20 | 120.9° | 123.3° |
| C12 | C14 | C15 | C16 | 21.2° | 35.7° |
| C12 | C14 | C15 | H21 | 140.9° | 82.6° |
| C12 | C14 | C15 | H22 | 98.5° | 153.6° |
| C14 | C12 | N3 | C10 | 165.9° | 179.0° |
| C14 | C12 | C13 | N4 | 100.1° | 62.2° |
| H18 | C12 | C13 | O6 | 162.1° | 121.0° |
| H18 | C12 | C14 | C15 | 114.7° | 141.7° |
| H18 | C12 | C14 | H19 | 125.6° | 100.0° |
| H18 | C12 | C14 | H20 | 5.0° | 23.4° |
| H18 | C12 | N3 | C10 | 47.4° | 61.4° |
| H18 | C12 | C13 | N4 | 23.0° | 59.0° |
| O6 | C13 | N4 | C17 | 0.2° | 0.0° |
| O6 | C13 | N4 | H25 | 179.8° | 179.9° |
| C15 | C14 | H19 | H20 | 120.9° | 123.2° |
| C14 | C15 | C16 | H21 | 119.7° | 118.1° |
| C14 | C15 | C16 | H22 | 119.7° | 118.0° |
| C14 | C15 | H21 | H22 | 120.9° | 123.9° |
| C14 | C15 | C16 | H23 | 147.5° | 81.6° |
| C14 | C15 | C16 | H24 | 90.2° | 156.0° |
| H19 | C14 | C15 | C16 | 98.5° | 154.0° |
| H19 | C14 | C15 | H21 | 21.2° | 35.8° |
| H19 | C14 | C15 | H22 | 141.8° | 88.0° |
| H20 | C14 | C15 | C16 | 140.9° | 82.7° |
| H20 | C14 | C15 | H21 | 99.4° | 159.1° |
| H20 | C14 | C15 | H22 | 21.1° | 35.2° |
| C16 | C15 | H21 | H22 | 120.9° | 123.9° |
| C15 | C16 | H23 | H24 | 123.3° | 122.4° |
| C15 | C16 | N3 | C10 | 153.3° | 155.9° |
| H21 | C15 | C16 | H23 | 92.7° | 160.3° |
| H21 | C15 | C16 | H24 | 29.5° | 37.9° |
| H22 | C15 | C16 | H23 | 27.8° | 36.5° |
| H22 | C15 | C16 | H24 | 150.1° | 86.0° |
| H23 | C16 | N3 | C10 | 34.4° | 85.1° |
| H24 | C16 | N3 | C10 | 87.8° | 37.2° |
| C17 | N4 | H25 | C13 | 180.0° | 179.9° |
| N4 | C17 | C18 | C19 | 122.9° | 120.0° |
| N4 | C17 | C18 | H26 | 119.5° | 120.1° |
| N4 | C17 | C19 | H26 | 118.8° | 120.1° |
| N4 | C17 | C18 | O7 | 173.0° | 14.9° |
| N4 | C17 | C18 | C26 | 44.1° | 165.0° |
| N4 | C17 | C19 | C21 | 70.4° | 65.0° |
| N4 | C17 | C19 | H27 | 50.6° | 54.9° |
| N4 | C17 | C19 | H28 | 168.5° | 174.9° |
| H25 | N4 | C17 | C18 | 69.4° | 95.0° |
| H25 | N4 | C17 | C19 | 54.3° | 25.0° |
| H25 | N4 | C17 | H26 | 172.2° | 145.0° |
| C18 | C17 | C19 | H26 | 117.6° | 120.0° |
| C17 | C18 | O7 | C26 | 127.9° | 180.0° |
| C18 | C17 | C19 | C21 | 166.0° | 175.0° |
| C18 | C17 | C19 | H27 | 73.0° | 65.0° |
| C18 | C17 | C19 | H28 | 44.9° | 55.0° |
| C17 | C18 | C26 | CL1 | 159.1° | 180.0° |
| C17 | C18 | C26 | H34 | 82.3° | 60.0° |
| C17 | C18 | C26 | H35 | 40.6° | 60.0° |
| C18 | C17 | N4 | C13 | 110.7° | 85.0° |
| C19 | C17 | C18 | O7 | 64.1° | 105.0° |
| C19 | C17 | C18 | C26 | 167.0° | 75.0° |
| C17 | C19 | C21 | H27 | 121.0° | 120.0° |
| C17 | C19 | C21 | H28 | 121.0° | 120.0° |
| C17 | C19 | H27 | H28 | 116.8° | 120.0° |
| C17 | C19 | C21 | C20 | 14.9° | 90.0° |
| C17 | C19 | C21 | C22 | 161.9° | 90.0° |
| C19 | C17 | N4 | C13 | 125.7° | 155.0° |
| H26 | C17 | C18 | O7 | 53.5° | 135.0° |
| H26 | C17 | C18 | C26 | 75.3° | 45.0° |
| H26 | C17 | C19 | C21 | 48.3° | 55.0° |
| H26 | C17 | C19 | H27 | 169.4° | 175.0° |
| H26 | C17 | C19 | H28 | 72.7° | 65.0° |
| H26 | C17 | N4 | C13 | 7.8° | 35.0° |
| O7 | C18 | C26 | CL1 | 32.3° | 0.0° |
| O7 | C18 | C26 | H34 | 150.9° | 120.0° |
| O7 | C18 | C26 | H35 | 86.3° | 120.0° |
| C18 | C26 | CL1 | H34 | 118.6° | 120.1° |
| C18 | C26 | CL1 | H35 | 118.5° | 120.0° |
| C18 | C26 | H34 | H35 | 124.1° | 120.0° |
| C21 | C19 | H27 | H28 | 116.8° | 120.1° |
| C19 | C21 | C20 | C22 | 176.9° | 180.0° |
| C19 | C21 | C20 | C25 | 179.5° | 179.9° |
| C19 | C21 | C20 | H29 | 0.5° | 0.3° |
| C19 | C21 | C22 | C23 | 177.8° | 180.0° |
| C19 | C21 | C22 | H30 | 2.2° | 0.1° |
| H27 | C19 | C21 | C20 | 136.0° | 30.0° |
| H27 | C19 | C21 | C22 | 40.8° | 150.0° |
| H28 | C19 | C21 | C20 | 106.1° | 150.0° |
| H28 | C19 | C21 | C22 | 77.1° | 30.0° |
| C21 | C20 | C25 | H29 | 180.0° | 179.6° |
| C20 | C21 | C22 | C23 | 5.2° | 0.0° |
| C20 | C21 | C22 | H30 | 174.8° | 179.9° |
| C21 | C20 | C25 | C24 | 1.1° | 0.2° |
| C21 | C20 | C25 | H33 | 178.9° | 180.0° |
| C25 | C20 | C21 | C22 | 2.6° | 0.1° |
| C20 | C25 | C24 | C23 | 2.5° | 0.1° |
| C20 | C25 | C24 | H33 | 180.0° | 179.8° |
| C20 | C25 | C24 | H32 | 177.5° | 179.9° |
| H29 | C20 | C21 | C22 | 177.4° | 179.7° |
| H29 | C20 | C25 | C24 | 178.9° | 179.8° |
| H29 | C20 | C25 | H33 | 1.1° | 0.4° |
| C21 | C22 | C23 | H30 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 3.8° | 0.1° |
| C21 | C22 | C23 | H31 | 176.2° | 179.9° |
| C22 | C23 | C24 | H31 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C22 | C23 | C24 | H32 | 179.9° | 180.0° |
| H30 | C22 | C23 | C24 | 176.2° | 180.0° |
| H30 | C22 | C23 | H31 | 3.8° | 0.0° |
| C23 | C24 | C25 | H32 | 180.0° | 180.0° |
| C23 | C24 | C25 | H33 | 177.5° | 179.9° |
| H31 | C23 | C24 | C25 | 179.9° | 180.0° |
| H31 | C23 | C24 | H32 | 0.1° | 0.0° |
| H32 | C24 | C25 | H33 | 2.5° | 0.0° |
| CL1 | C26 | H34 | H35 | 124.1° | 119.9° |
