PRD_000381
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 | 1.34Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| O2 | H1 | sing | 0.97Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C2 | H3 | sing | 1.09Å | 0.00Å | |
| C3 | C4 | sing | 1.51Å | 0.00Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C3 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | O3 | doub | 1.21Å | 0.00Å | |
| N1 | C5 | sing | 1.46Å | 1.49Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | doub | 1.21Å | 1.23Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O5 | doub | 1.21Å | 1.23Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.54Å | 1.53Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | O6 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.55Å | 1.48Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.55Å | 1.49Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | O7 | sing | 1.43Å | 1.24Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| O7 | H23 | sing | 0.97Å | 0.95Å | |
| C17 | N4 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | CL1 | sing | 1.80Å | 84.73Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | C16 | sing | 1.53Å | 1.54Å | |
| C4 | N1 | sing | 1.35Å | 88.23Å | |
| C6 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.35Å | |
| C12 | N4 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 90.0° | 120.0° |
| O1 | C1 | C2 | 90.0° | 120.0° |
| O2 | C1 | C2 | 90.0° | 120.0° |
| C1 | O2 | H1 | 90.0° | 117.0° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C1 | C2 | H2 | 90.0° | 109.5° |
| C1 | C2 | H3 | 90.0° | 109.5° |
| C3 | C2 | H2 | 90.0° | 109.5° |
| C3 | C2 | H3 | 90.0° | 109.4° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C2 | C3 | H4 | 90.0° | 109.5° |
| C2 | C3 | H5 | 90.0° | 109.5° |
| H2 | C2 | H3 | 90.0° | 109.5° |
| C4 | C3 | H4 | 90.0° | 109.5° |
| C4 | C3 | H5 | 90.0° | 109.4° |
| C3 | C4 | O3 | 90.0° | 120.0° |
| C3 | C4 | N1 | 90.0° | 120.0° |
| H4 | C3 | H5 | 90.0° | 109.5° |
| O3 | C4 | N1 | 90.0° | 120.0° |
| C5 | N1 | H6 | 159.2° | 120.1° |
| N1 | C5 | C6 | 109.6° | 109.4° |
| N1 | C5 | C7 | 109.6° | 109.5° |
| N1 | C5 | H7 | 109.4° | 109.5° |
| C5 | N1 | C4 | 41.7° | 120.0° |
| H6 | N1 | C4 | 159.2° | 119.9° |
| C6 | C5 | C7 | 110.4° | 109.5° |
| C6 | C5 | H7 | 108.9° | 109.5° |
| C5 | C6 | O4 | 120.2° | 120.0° |
| C5 | C6 | N2 | 116.8° | 120.0° |
| C7 | C5 | H7 | 108.8° | 109.5° |
| C5 | C7 | H8 | 109.5° | 109.5° |
| C5 | C7 | H9 | 109.4° | 109.4° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| O4 | C6 | N2 | 123.0° | 120.0° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| C8 | N2 | H11 | 118.8° | 120.0° |
| N2 | C8 | C9 | 109.7° | 109.5° |
| N2 | C8 | C10 | 110.0° | 109.5° |
| N2 | C8 | H12 | 109.8° | 109.4° |
| C8 | N2 | C6 | 122.4° | 120.0° |
| H11 | N2 | C6 | 118.8° | 120.0° |
| C9 | C8 | C10 | 109.5° | 109.5° |
| C9 | C8 | H12 | 108.9° | 109.5° |
| C8 | C9 | O5 | 120.2° | 120.0° |
| C8 | C9 | N3 | 118.0° | 120.0° |
| C10 | C8 | H12 | 108.9° | 109.5° |
| C8 | C10 | H13 | 109.5° | 109.5° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| O5 | C9 | N3 | 121.7° | 120.0° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.4° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| C11 | N3 | C15 | 110.4° | 108.7° |
| N3 | C11 | C12 | 109.4° | 109.9° |
| N3 | C11 | C13 | 102.6° | 107.3° |
| N3 | C11 | H16 | 111.7° | 109.9° |
| C11 | N3 | C9 | 122.0° | 125.6° |
| N3 | C15 | C14 | 102.2° | 104.7° |
| N3 | C15 | H21 | 111.3° | 110.4° |
| N3 | C15 | H22 | 111.3° | 110.4° |
| C15 | N3 | C9 | 127.2° | 125.7° |
| C12 | C11 | C13 | 111.4° | 109.9° |
| C12 | C11 | H16 | 110.7° | 109.8° |
| C11 | C12 | O6 | 120.6° | 120.0° |
| C11 | C12 | N4 | 116.5° | 120.0° |
| C13 | C11 | H16 | 110.8° | 110.1° |
| C11 | C13 | C14 | 104.1° | 102.9° |
| C11 | C13 | H17 | 110.8° | 110.7° |
| C11 | C13 | H18 | 110.8° | 110.7° |
| O6 | C12 | N4 | 122.9° | 120.0° |
| C14 | C13 | H17 | 110.8° | 110.8° |
| C14 | C13 | H18 | 110.8° | 110.7° |
| C13 | C14 | C15 | 102.0° | 101.5° |
| C13 | C14 | H19 | 111.3° | 111.0° |
| C13 | C14 | H20 | 111.3° | 111.0° |
| H17 | C13 | H18 | 109.5° | 110.8° |
| C15 | C14 | H19 | 111.3° | 111.2° |
| C15 | C14 | H20 | 111.3° | 110.9° |
| C14 | C15 | H21 | 111.2° | 110.5° |
| C14 | C15 | H22 | 111.2° | 110.4° |
| H19 | C14 | H20 | 109.5° | 110.9° |
| H21 | C15 | H22 | 109.5° | 110.4° |
| O7 | C16 | C17 | 118.0° | 109.5° |
| C16 | O7 | H23 | 109.5° | 114.0° |
| O7 | C16 | H33 | 108.2° | 109.5° |
| O7 | C16 | C25 | 106.5° | 109.4° |
| C16 | C17 | N4 | 113.2° | 109.5° |
| C16 | C17 | C18 | 108.7° | 109.5° |
| C16 | C17 | H24 | 107.8° | 109.4° |
| C17 | C16 | H33 | 104.5° | 109.4° |
| C17 | C16 | C25 | 114.1° | 109.5° |
| N4 | C17 | C18 | 110.2° | 109.5° |
| N4 | C17 | H24 | 108.9° | 109.4° |
| C17 | N4 | H25 | 118.7° | 120.0° |
| C17 | N4 | C12 | 122.7° | 120.0° |
| C18 | C17 | H24 | 107.9° | 109.5° |
| C17 | C18 | C19 | 114.9° | 109.5° |
| C17 | C18 | H26 | 108.1° | 109.5° |
| C17 | C18 | H27 | 108.1° | 109.5° |
| H25 | N4 | C12 | 118.6° | 120.0° |
| C19 | C18 | H26 | 108.1° | 109.4° |
| C19 | C18 | H27 | 108.1° | 109.4° |
| C18 | C19 | C20 | 121.5° | 120.0° |
| C18 | C19 | C21 | 119.5° | 120.0° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| C20 | C19 | C21 | 119.0° | 120.1° |
| C19 | C20 | C22 | 121.1° | 120.0° |
| C19 | C20 | H28 | 119.5° | 120.0° |
| C19 | C21 | C23 | 120.5° | 119.9° |
| C19 | C21 | H29 | 119.7° | 120.0° |
| C22 | C20 | H28 | 119.5° | 120.1° |
| C20 | C22 | C24 | 119.7° | 120.0° |
| C20 | C22 | H30 | 120.2° | 120.0° |
| C23 | C21 | H29 | 119.8° | 120.0° |
| C21 | C23 | C24 | 119.7° | 120.0° |
| C21 | C23 | H31 | 120.2° | 120.0° |
| C24 | C22 | H30 | 120.2° | 120.0° |
| C22 | C24 | C23 | 120.1° | 120.0° |
| C22 | C24 | H32 | 120.0° | 120.0° |
| C24 | C23 | H31 | 120.2° | 120.0° |
| C23 | C24 | H32 | 119.9° | 120.0° |
| H33 | C16 | C25 | 104.5° | 109.5° |
| CL1 | C25 | H34 | 113.0° | 109.4° |
| CL1 | C25 | H35 | 113.0° | 109.5° |
| CL1 | C25 | C16 | 94.7° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H34 | C25 | C16 | 113.0° | 109.5° |
| H35 | C25 | C16 | 113.0° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 90.0° | 179.7° |
| O1 | C1 | O2 | H1 | 90.0° | 0.0° |
| O1 | C1 | C2 | C3 | 90.0° | 0.1° |
| O1 | C1 | C2 | H2 | 90.0° | 120.0° |
| O1 | C1 | C2 | H3 | 90.0° | 120.0° |
| O2 | C1 | C2 | C3 | 90.0° | 179.7° |
| O2 | C1 | C2 | H2 | 90.0° | 60.2° |
| O2 | C1 | C2 | H3 | 90.0° | 59.7° |
| C2 | C1 | O2 | H1 | 90.0° | 179.8° |
| C1 | C2 | C3 | H2 | 90.0° | 120.1° |
| C1 | C2 | C3 | H3 | 90.0° | 120.0° |
| C1 | C2 | H2 | H3 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C1 | C2 | C3 | H4 | 90.0° | 60.0° |
| C1 | C2 | C3 | H5 | 90.0° | 60.1° |
| C3 | C2 | H2 | H3 | 90.0° | 120.0° |
| C2 | C3 | C4 | H4 | 90.0° | 120.0° |
| C2 | C3 | C4 | H5 | 90.0° | 120.0° |
| C2 | C3 | H4 | H5 | 90.0° | 120.0° |
| C2 | C3 | C4 | O3 | 90.0° | 0.0° |
| C2 | C3 | C4 | N1 | 90.0° | 180.0° |
| H2 | C2 | C3 | C4 | 90.0° | 59.9° |
| H2 | C2 | C3 | H4 | 90.0° | 180.0° |
| H2 | C2 | C3 | H5 | 90.0° | 60.0° |
| H3 | C2 | C3 | C4 | 90.0° | 60.0° |
| H3 | C2 | C3 | H4 | 90.0° | 60.0° |
| H3 | C2 | C3 | H5 | 90.0° | 180.0° |
| C4 | C3 | H4 | H5 | 90.0° | 120.0° |
| C3 | C4 | O3 | N1 | 90.0° | 180.0° |
| C3 | C4 | N1 | C5 | 90.0° | 180.0° |
| C3 | C4 | N1 | H6 | 90.0° | 0.1° |
| H4 | C3 | C4 | O3 | 90.0° | 120.0° |
| H4 | C3 | C4 | N1 | 90.0° | 60.0° |
| H5 | C3 | C4 | O3 | 90.0° | 120.0° |
| H5 | C3 | C4 | N1 | 90.0° | 60.0° |
| O3 | C4 | N1 | C5 | 90.0° | 0.0° |
| O3 | C4 | N1 | H6 | 90.0° | 179.9° |
| C5 | N1 | H6 | C4 | 179.9° | 179.9° |
| N1 | C5 | C6 | C7 | 120.8° | 120.0° |
| N1 | C5 | C6 | H7 | 119.7° | 120.0° |
| N1 | C5 | C7 | H7 | 119.6° | 120.1° |
| N1 | C5 | C6 | O4 | 58.3° | 0.1° |
| N1 | C5 | C7 | H8 | 180.0° | 180.0° |
| N1 | C5 | C7 | H9 | 60.0° | 60.0° |
| N1 | C5 | C7 | H10 | 60.0° | 59.9° |
| N1 | C5 | C6 | N2 | 120.5° | 180.0° |
| H6 | N1 | C5 | C6 | 38.1° | 24.9° |
| H6 | N1 | C5 | C7 | 159.4° | 95.0° |
| H6 | N1 | C5 | H7 | 81.3° | 144.9° |
| C6 | C5 | C7 | H7 | 119.5° | 120.0° |
| C5 | C6 | O4 | N2 | 178.7° | 180.0° |
| C6 | C5 | C7 | H8 | 59.1° | 60.0° |
| C6 | C5 | C7 | H9 | 179.1° | 180.0° |
| C6 | C5 | C7 | H10 | 60.9° | 60.0° |
| C5 | C6 | N2 | C8 | 179.6° | 180.0° |
| C5 | C6 | N2 | H11 | 0.4° | 0.0° |
| C6 | C5 | N1 | C4 | 141.9° | 155.0° |
| C7 | C5 | C6 | O4 | 62.5° | 120.0° |
| C5 | C7 | H8 | H9 | 120.0° | 120.0° |
| C5 | C7 | H8 | H10 | 120.0° | 120.0° |
| C5 | C7 | H9 | H10 | 120.0° | 120.0° |
| C7 | C5 | N1 | C4 | 20.6° | 85.1° |
| C7 | C5 | C6 | N2 | 118.7° | 60.0° |
| H7 | C5 | C6 | O4 | 178.0° | 120.0° |
| H7 | C5 | C7 | H8 | 60.4° | 59.9° |
| H7 | C5 | C7 | H9 | 59.6° | 60.1° |
| H7 | C5 | C7 | H10 | 179.6° | 180.0° |
| H7 | C5 | N1 | C4 | 98.6° | 35.0° |
| H7 | C5 | C6 | N2 | 0.8° | 60.0° |
| O4 | C6 | N2 | C8 | 0.9° | 0.0° |
| O4 | C6 | N2 | H11 | 179.1° | 179.9° |
| H8 | C7 | H9 | H10 | 120.0° | 120.0° |
| C8 | N2 | H11 | C6 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 120.9° | 120.0° |
| N2 | C8 | C9 | H12 | 120.2° | 120.0° |
| N2 | C8 | C10 | H12 | 120.4° | 120.0° |
| N2 | C8 | C9 | O5 | 53.8° | 25.4° |
| N2 | C8 | C10 | H13 | 180.0° | 175.0° |
| N2 | C8 | C10 | H14 | 60.0° | 55.0° |
| N2 | C8 | C10 | H15 | 60.0° | 65.0° |
| N2 | C8 | C9 | N3 | 122.8° | 154.7° |
| H11 | N2 | C8 | C9 | 62.5° | 25.1° |
| H11 | N2 | C8 | C10 | 58.0° | 95.0° |
| H11 | N2 | C8 | H12 | 177.9° | 145.0° |
| C9 | C8 | C10 | H12 | 118.9° | 120.0° |
| C8 | C9 | O5 | N3 | 176.5° | 179.9° |
| C9 | C8 | C10 | H13 | 59.3° | 65.0° |
| C9 | C8 | C10 | H14 | 179.4° | 175.0° |
| C9 | C8 | C10 | H15 | 60.7° | 55.1° |
| C8 | C9 | N3 | C11 | 179.4° | 175.4° |
| C8 | C9 | N3 | C15 | 8.2° | 4.3° |
| C9 | C8 | N2 | C6 | 117.5° | 155.0° |
| C10 | C8 | C9 | O5 | 67.1° | 94.7° |
| C8 | C10 | H13 | H14 | 120.0° | 120.0° |
| C8 | C10 | H13 | H15 | 120.0° | 120.0° |
| C8 | C10 | H14 | H15 | 120.0° | 120.0° |
| C10 | C8 | N2 | C6 | 122.0° | 85.0° |
| C10 | C8 | C9 | N3 | 116.3° | 85.3° |
| H12 | C8 | C9 | O5 | 174.0° | 145.4° |
| H12 | C8 | C10 | H13 | 59.6° | 55.0° |
| H12 | C8 | C10 | H14 | 60.4° | 65.0° |
| H12 | C8 | C10 | H15 | 179.6° | 175.0° |
| H12 | C8 | N2 | C6 | 2.1° | 35.0° |
| H12 | C8 | C9 | N3 | 2.6° | 34.7° |
| O5 | C9 | N3 | C11 | 4.1° | 4.7° |
| O5 | C9 | N3 | C15 | 168.4° | 175.7° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| C11 | N3 | C15 | C9 | 173.2° | 179.7° |
| N3 | C11 | C12 | C13 | 112.7° | 117.8° |
| N3 | C11 | C12 | H16 | 123.5° | 121.0° |
| N3 | C11 | C13 | H16 | 119.3° | 119.5° |
| N3 | C11 | C12 | O6 | 46.4° | 0.1° |
| N3 | C11 | C13 | C14 | 27.0° | 22.2° |
| N3 | C11 | C13 | H17 | 92.1° | 140.6° |
| N3 | C11 | C13 | H18 | 146.2° | 96.1° |
| C11 | N3 | C15 | C14 | 24.2° | 24.4° |
| C11 | N3 | C15 | H21 | 143.0° | 94.5° |
| C11 | N3 | C15 | H22 | 94.7° | 143.2° |
| N3 | C11 | C12 | N4 | 133.6° | 180.0° |
| C15 | N3 | C11 | C12 | 119.9° | 120.7° |
| C15 | N3 | C11 | C13 | 1.5° | 1.3° |
| C15 | N3 | C11 | H16 | 117.2° | 118.3° |
| N3 | C15 | C14 | C13 | 40.3° | 37.3° |
| N3 | C15 | C14 | H21 | 118.8° | 118.8° |
| N3 | C15 | C14 | H22 | 118.8° | 118.8° |
| N3 | C15 | C14 | H19 | 159.1° | 80.8° |
| N3 | C15 | C14 | H20 | 78.5° | 155.3° |
| N3 | C15 | H21 | H22 | 123.4° | 122.3° |
| C12 | C11 | C13 | H16 | 123.7° | 121.1° |
| C11 | C12 | O6 | N4 | 179.9° | 179.9° |
| C12 | C11 | C13 | C14 | 144.0° | 97.3° |
| C12 | C11 | C13 | H17 | 24.8° | 21.1° |
| C12 | C11 | C13 | H18 | 96.9° | 144.4° |
| C11 | C12 | N4 | C17 | 179.6° | 179.9° |
| C11 | C12 | N4 | H25 | 0.4° | 0.0° |
| C12 | C11 | N3 | C9 | 66.6° | 59.5° |
| C13 | C11 | C12 | O6 | 66.3° | 117.8° |
| C11 | C13 | C14 | H17 | 119.1° | 118.4° |
| C11 | C13 | C14 | H18 | 119.1° | 118.3° |
| C11 | C13 | H17 | H18 | 122.5° | 123.3° |
| C11 | C13 | C14 | C15 | 42.2° | 35.6° |
| C11 | C13 | C14 | H19 | 160.9° | 82.6° |
| C11 | C13 | C14 | H20 | 76.6° | 153.6° |
| C13 | C11 | N3 | C9 | 175.1° | 179.0° |
| C13 | C11 | C12 | N4 | 113.6° | 62.1° |
| H16 | C11 | C12 | O6 | 170.0° | 121.0° |
| H16 | C11 | C13 | C14 | 92.3° | 141.7° |
| H16 | C11 | C13 | H17 | 148.6° | 99.9° |
| H16 | C11 | C13 | H18 | 26.9° | 23.4° |
| H16 | C11 | N3 | C9 | 56.4° | 61.4° |
| H16 | C11 | C12 | N4 | 10.1° | 59.1° |
| O6 | C12 | N4 | C17 | 0.3° | 0.0° |
| O6 | C12 | N4 | H25 | 179.7° | 179.9° |
| C14 | C13 | H17 | H18 | 122.5° | 123.2° |
| C13 | C14 | C15 | H19 | 118.8° | 118.0° |
| C13 | C14 | C15 | H20 | 118.8° | 118.0° |
| C13 | C14 | H19 | H20 | 123.5° | 123.9° |
| C13 | C14 | C15 | H21 | 159.1° | 81.6° |
| C13 | C14 | C15 | H22 | 78.6° | 156.1° |
| H17 | C13 | C14 | C15 | 76.9° | 154.0° |
| H17 | C13 | C14 | H19 | 41.8° | 35.8° |
| H17 | C13 | C14 | H20 | 164.3° | 88.0° |
| H18 | C13 | C14 | C15 | 161.3° | 82.7° |
| H18 | C13 | C14 | H19 | 79.9° | 159.1° |
| H18 | C13 | C14 | H20 | 42.6° | 35.2° |
| C15 | C14 | H19 | H20 | 123.5° | 123.9° |
| C14 | C15 | H21 | H22 | 123.3° | 122.4° |
| C14 | C15 | N3 | C9 | 149.0° | 155.9° |
| H19 | C14 | C15 | H21 | 82.1° | 160.4° |
| H19 | C14 | C15 | H22 | 40.2° | 38.0° |
| H20 | C14 | C15 | H21 | 40.3° | 36.4° |
| H20 | C14 | C15 | H22 | 162.7° | 85.9° |
| H21 | C15 | N3 | C9 | 30.2° | 85.2° |
| H22 | C15 | N3 | C9 | 92.2° | 37.1° |
| O7 | C16 | C17 | H33 | 120.2° | 120.0° |
| O7 | C16 | C17 | C25 | 126.2° | 120.0° |
| O7 | C16 | C17 | N4 | 163.1° | 180.0° |
| O7 | C16 | C17 | C18 | 74.1° | 60.0° |
| O7 | C16 | C17 | H24 | 42.6° | 60.0° |
| O7 | C16 | H33 | C25 | 113.2° | 120.0° |
| O7 | C16 | C25 | CL1 | 114.4° | 65.1° |
| O7 | C16 | C25 | H34 | 3.1° | 175.1° |
| O7 | C16 | C25 | H35 | 128.1° | 55.0° |
| C17 | C16 | O7 | H23 | 180.0° | 60.0° |
| C16 | C17 | N4 | C18 | 121.9° | 120.0° |
| C16 | C17 | N4 | H24 | 119.9° | 119.9° |
| C16 | C17 | C18 | H24 | 116.6° | 120.0° |
| C16 | C17 | N4 | H25 | 77.5° | 95.0° |
| C16 | C17 | C18 | C19 | 169.6° | 175.0° |
| C16 | C17 | C18 | H26 | 69.6° | 65.1° |
| C16 | C17 | C18 | H27 | 48.8° | 55.0° |
| C17 | C16 | H33 | C25 | 120.2° | 120.0° |
| C17 | C16 | C25 | CL1 | 113.6° | 175.0° |
| C17 | C16 | C25 | H34 | 128.9° | 55.1° |
| C17 | C16 | C25 | H35 | 3.9° | 65.0° |
| C16 | C17 | N4 | C12 | 102.5° | 85.0° |
| H23 | O7 | C16 | H33 | 61.7° | 60.0° |
| H23 | O7 | C16 | C25 | 50.2° | 180.0° |
| N4 | C17 | C18 | H24 | 118.9° | 120.0° |
| C17 | N4 | H25 | C12 | 180.0° | 179.9° |
| N4 | C17 | C18 | C19 | 65.9° | 65.0° |
| N4 | C17 | C18 | H26 | 54.9° | 55.0° |
| N4 | C17 | C18 | H27 | 173.3° | 175.1° |
| N4 | C17 | C16 | H33 | 76.6° | 60.0° |
| N4 | C17 | C16 | C25 | 36.9° | 60.0° |
| C18 | C17 | N4 | H25 | 44.4° | 25.1° |
| C17 | C18 | C19 | H26 | 120.8° | 120.0° |
| C17 | C18 | C19 | H27 | 120.8° | 120.0° |
| C17 | C18 | H26 | H27 | 117.5° | 120.1° |
| C17 | C18 | C19 | C20 | 17.1° | 90.0° |
| C17 | C18 | C19 | C21 | 163.9° | 90.3° |
| C18 | C17 | C16 | H33 | 46.1° | 60.0° |
| C18 | C17 | C16 | C25 | 159.7° | 180.0° |
| C18 | C17 | N4 | C12 | 135.6° | 155.0° |
| H24 | C17 | N4 | H25 | 162.6° | 145.1° |
| H24 | C17 | C18 | C19 | 52.9° | 55.0° |
| H24 | C17 | C18 | H26 | 173.7° | 175.0° |
| H24 | C17 | C18 | H27 | 67.9° | 64.9° |
| H24 | C17 | C16 | H33 | 162.8° | 180.0° |
| H24 | C17 | C16 | C25 | 83.6° | 59.9° |
| H24 | C17 | N4 | C12 | 17.4° | 35.0° |
| C19 | C18 | H26 | H27 | 117.5° | 119.9° |
| C18 | C19 | C20 | C21 | 179.0° | 179.7° |
| C18 | C19 | C20 | C22 | 178.8° | 180.0° |
| C18 | C19 | C20 | H28 | 1.3° | 0.1° |
| C18 | C19 | C21 | C23 | 178.8° | 180.0° |
| C18 | C19 | C21 | H29 | 1.2° | 0.0° |
| H26 | C18 | C19 | C20 | 137.9° | 30.0° |
| H26 | C18 | C19 | C21 | 43.1° | 149.7° |
| H27 | C18 | C19 | C20 | 103.7° | 150.0° |
| H27 | C18 | C19 | C21 | 75.3° | 29.7° |
| C19 | C20 | C22 | H28 | 180.0° | 179.9° |
| C20 | C19 | C21 | C23 | 0.3° | 0.3° |
| C20 | C19 | C21 | H29 | 179.7° | 179.7° |
| C19 | C20 | C22 | C24 | 0.3° | 0.0° |
| C19 | C20 | C22 | H30 | 179.7° | 180.0° |
| C21 | C19 | C20 | C22 | 0.3° | 0.3° |
| C21 | C19 | C20 | H28 | 179.7° | 179.8° |
| C19 | C21 | C23 | H29 | 180.0° | 180.0° |
| C19 | C21 | C23 | C24 | 0.2° | 0.0° |
| C19 | C21 | C23 | H31 | 179.8° | 180.0° |
| C20 | C22 | C24 | H30 | 180.0° | 180.0° |
| C20 | C22 | C24 | C23 | 0.2° | 0.2° |
| C20 | C22 | C24 | H32 | 179.8° | 180.0° |
| H28 | C20 | C22 | C24 | 179.7° | 180.0° |
| H28 | C20 | C22 | H30 | 0.3° | 0.0° |
| C21 | C23 | C24 | C22 | 0.2° | 0.2° |
| C21 | C23 | C24 | H31 | 180.0° | 179.9° |
| C21 | C23 | C24 | H32 | 179.8° | 180.0° |
| H29 | C21 | C23 | C24 | 179.8° | 179.9° |
| H29 | C21 | C23 | H31 | 0.2° | 0.0° |
| C22 | C24 | C23 | H32 | 180.0° | 179.8° |
| C22 | C24 | C23 | H31 | 179.8° | 179.7° |
| H30 | C22 | C24 | C23 | 179.8° | 179.8° |
| H30 | C22 | C24 | H32 | 0.2° | 0.0° |
| H31 | C23 | C24 | H32 | 0.2° | 0.1° |
| H33 | C16 | C25 | CL1 | 0.0° | 55.0° |
| H33 | C16 | C25 | H34 | 117.5° | 64.9° |
| H33 | C16 | C25 | H35 | 117.5° | 175.0° |
| CL1 | C25 | H34 | H35 | 127.0° | 120.0° |
| CL1 | C25 | H34 | C16 | 106.1° | 119.9° |
| CL1 | C25 | H35 | C16 | 106.1° | 120.1° |
| H34 | C25 | H35 | C16 | 126.9° | 120.0° |
