PRD_002328
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C5 | sing | 1.51Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | O1 | doub | 1.21Å | 1.24Å | |
| N1 | C6 | sing | 1.47Å | 1.45Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | O3 | sing | 1.36Å | 1.38Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| N2 | C15 | sing | 1.46Å | 1.46Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | O4 | doub | 1.21Å | 1.22Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| O5 | C21 | sing | 1.43Å | 1.39Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| N3 | C22 | sing | 1.47Å | 1.46Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| O5 | H33 | sing | 0.97Å | 0.95Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | O6 | sing | 1.36Å | 1.39Å | |
| O6 | H37 | sing | 0.97Å | 0.95Å | |
| C28 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H38 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H39 | sing | 1.08Å | 1.08Å | |
| C28 | H40 | sing | 1.08Å | 1.08Å | |
| C29 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | N2 | sing | 1.35Å | 1.32Å | |
| C16 | N3 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C1 | C2 | C4 | 108.0° | 109.4° |
| C1 | C2 | H3 | 108.5° | 109.5° |
| C5 | C1 | H1 | 109.4° | 109.5° |
| C5 | C1 | H2 | 109.4° | 109.5° |
| C1 | C5 | O1 | 121.7° | 120.0° |
| C1 | C5 | N1 | 115.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| C3 | C2 | C4 | 112.3° | 109.5° |
| C3 | C2 | H3 | 109.0° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C4 | C2 | H3 | 108.8° | 109.5° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | C4 | H8 | 109.5° | 109.5° |
| C2 | C4 | H9 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H9 | 109.4° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.4° |
| O1 | C5 | N1 | 123.3° | 120.0° |
| C6 | N1 | H10 | 118.9° | 120.0° |
| N1 | C6 | C7 | 111.7° | 109.5° |
| N1 | C6 | C8 | 108.7° | 109.4° |
| N1 | C6 | H11 | 109.2° | 109.5° |
| C6 | N1 | C5 | 122.2° | 120.0° |
| H10 | N1 | C5 | 118.9° | 120.0° |
| C7 | C6 | C8 | 110.3° | 109.5° |
| C7 | C6 | H11 | 108.5° | 109.5° |
| C6 | C7 | O2 | 121.1° | 120.1° |
| C6 | C7 | N2 | 115.0° | 120.0° |
| C8 | C6 | H11 | 108.3° | 109.4° |
| C6 | C8 | C9 | 109.7° | 109.5° |
| C6 | C8 | H12 | 109.4° | 109.5° |
| C6 | C8 | H13 | 109.4° | 109.5° |
| O2 | C7 | N2 | 123.9° | 119.9° |
| C9 | C8 | H12 | 109.4° | 109.5° |
| C9 | C8 | H13 | 109.4° | 109.5° |
| C8 | C9 | C10 | 119.8° | 119.9° |
| C8 | C9 | C11 | 121.2° | 119.9° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| C10 | C9 | C11 | 119.0° | 120.1° |
| C9 | C10 | C12 | 121.7° | 120.0° |
| C9 | C10 | H14 | 119.1° | 120.0° |
| C9 | C11 | C13 | 120.6° | 120.0° |
| C9 | C11 | H15 | 119.7° | 120.0° |
| C12 | C10 | H14 | 119.2° | 119.9° |
| C10 | C12 | C14 | 118.8° | 119.9° |
| C10 | C12 | H16 | 120.6° | 120.0° |
| C13 | C11 | H15 | 119.7° | 120.0° |
| C11 | C13 | C14 | 119.3° | 120.0° |
| C11 | C13 | H17 | 120.3° | 120.1° |
| C14 | C12 | H16 | 120.6° | 120.1° |
| C12 | C14 | C13 | 120.6° | 119.9° |
| C12 | C14 | O3 | 120.6° | 120.1° |
| C14 | C13 | H17 | 120.3° | 120.0° |
| C13 | C14 | O3 | 118.8° | 120.1° |
| C14 | O3 | H18 | 109.5° | 114.0° |
| C15 | N2 | H19 | 121.0° | 120.0° |
| N2 | C15 | C16 | 109.3° | 109.4° |
| N2 | C15 | C17 | 107.1° | 109.5° |
| N2 | C15 | H20 | 109.8° | 109.5° |
| C15 | N2 | C7 | 118.0° | 120.0° |
| H19 | N2 | C7 | 121.0° | 120.0° |
| C16 | C15 | C17 | 112.8° | 109.5° |
| C16 | C15 | H20 | 108.9° | 109.5° |
| C15 | C16 | O4 | 120.2° | 120.0° |
| C15 | C16 | N3 | 113.8° | 120.0° |
| C17 | C15 | H20 | 108.9° | 109.5° |
| C15 | C17 | C18 | 118.1° | 109.4° |
| C15 | C17 | H21 | 107.3° | 109.4° |
| C15 | C17 | H22 | 107.3° | 109.5° |
| O4 | C16 | N3 | 125.9° | 120.0° |
| C18 | C17 | H21 | 107.3° | 109.5° |
| C18 | C17 | H22 | 107.3° | 109.5° |
| C17 | C18 | C19 | 111.5° | 109.5° |
| C17 | C18 | C20 | 108.8° | 109.4° |
| C17 | C18 | H23 | 107.8° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.6° |
| C19 | C18 | C20 | 112.4° | 109.5° |
| C19 | C18 | H23 | 108.3° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.4° |
| C18 | C19 | H26 | 109.5° | 109.5° |
| C20 | C18 | H23 | 108.0° | 109.5° |
| C18 | C20 | H27 | 109.5° | 109.5° |
| C18 | C20 | H28 | 109.5° | 109.5° |
| C18 | C20 | H29 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.4° |
| H27 | C20 | H28 | 109.5° | 109.4° |
| H27 | C20 | H29 | 109.5° | 109.4° |
| H28 | C20 | H29 | 109.4° | 109.5° |
| O5 | C21 | C22 | 114.7° | 109.5° |
| O5 | C21 | H30 | 108.1° | 109.4° |
| O5 | C21 | H31 | 108.1° | 109.5° |
| C21 | O5 | H33 | 109.5° | 114.0° |
| C22 | C21 | H30 | 108.1° | 109.5° |
| C22 | C21 | H31 | 108.1° | 109.5° |
| C21 | C22 | N3 | 112.1° | 109.5° |
| C21 | C22 | C23 | 113.5° | 109.4° |
| C21 | C22 | H34 | 107.7° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| C22 | N3 | H32 | 120.5° | 120.0° |
| N3 | C22 | C23 | 107.1° | 109.4° |
| N3 | C22 | H34 | 108.5° | 109.5° |
| C22 | N3 | C16 | 118.9° | 120.0° |
| H32 | N3 | C16 | 120.6° | 120.0° |
| C23 | C22 | H34 | 107.9° | 109.5° |
| C22 | C23 | C24 | 116.4° | 109.4° |
| C22 | C23 | H35 | 107.7° | 109.5° |
| C22 | C23 | H36 | 107.7° | 109.4° |
| C24 | C23 | H35 | 107.7° | 109.5° |
| C24 | C23 | H36 | 107.7° | 109.5° |
| C23 | C24 | C26 | 118.6° | 119.9° |
| C23 | C24 | C27 | 122.6° | 119.9° |
| H35 | C23 | H36 | 109.5° | 109.5° |
| C26 | C24 | C27 | 118.8° | 120.2° |
| C24 | C26 | C28 | 120.5° | 120.0° |
| C24 | C26 | H38 | 119.7° | 120.0° |
| C24 | C27 | C29 | 121.6° | 120.0° |
| C24 | C27 | H39 | 119.2° | 120.0° |
| C25 | O6 | H37 | 109.5° | 114.0° |
| O6 | C25 | C28 | 120.3° | 120.0° |
| O6 | C25 | C29 | 119.6° | 120.0° |
| C28 | C25 | C29 | 120.1° | 119.9° |
| C25 | C28 | C26 | 119.7° | 119.9° |
| C25 | C28 | H40 | 120.1° | 120.0° |
| C25 | C29 | C27 | 119.3° | 119.9° |
| C25 | C29 | H41 | 120.4° | 120.1° |
| C28 | C26 | H38 | 119.8° | 120.0° |
| C26 | C28 | H40 | 120.2° | 120.1° |
| C29 | C27 | H39 | 119.2° | 120.0° |
| C27 | C29 | H41 | 120.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 120.0° | 120.0° |
| C2 | C1 | C5 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | C4 | 120.4° | 120.0° |
| C1 | C2 | C3 | H3 | 118.9° | 120.0° |
| C1 | C2 | C4 | H3 | 117.6° | 120.0° |
| C1 | C2 | C3 | H4 | 180.0° | 60.0° |
| C1 | C2 | C3 | H5 | 60.0° | 180.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C4 | H7 | 180.0° | 60.0° |
| C1 | C2 | C4 | H8 | 60.0° | 60.0° |
| C1 | C2 | C4 | H9 | 60.0° | 180.0° |
| C2 | C1 | C5 | O1 | 58.3° | 0.0° |
| C2 | C1 | C5 | N1 | 121.4° | 180.0° |
| C5 | C1 | H1 | H2 | 120.0° | 120.1° |
| C5 | C1 | C2 | C3 | 69.8° | 175.0° |
| C5 | C1 | C2 | C4 | 167.3° | 65.0° |
| C5 | C1 | C2 | H3 | 49.4° | 55.0° |
| C1 | C5 | O1 | N1 | 179.6° | 179.9° |
| C1 | C5 | N1 | C6 | 179.4° | 180.0° |
| C1 | C5 | N1 | H10 | 0.5° | 0.1° |
| H1 | C1 | C2 | C3 | 170.2° | 65.0° |
| H1 | C1 | C2 | C4 | 47.3° | 55.0° |
| H1 | C1 | C2 | H3 | 70.6° | 175.0° |
| H1 | C1 | C5 | O1 | 61.7° | 120.0° |
| H1 | C1 | C5 | N1 | 118.6° | 60.1° |
| H2 | C1 | C2 | C3 | 50.2° | 55.0° |
| H2 | C1 | C2 | C4 | 72.8° | 175.0° |
| H2 | C1 | C2 | H3 | 169.4° | 65.0° |
| H2 | C1 | C5 | O1 | 178.3° | 120.0° |
| H2 | C1 | C5 | N1 | 1.4° | 60.0° |
| C3 | C2 | C4 | H3 | 120.8° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | C4 | H7 | 58.4° | 60.0° |
| C3 | C2 | C4 | H8 | 61.6° | 180.0° |
| C3 | C2 | C4 | H9 | 178.4° | 60.0° |
| C4 | C2 | C3 | H4 | 59.6° | 60.0° |
| C4 | C2 | C3 | H5 | 179.6° | 60.0° |
| C4 | C2 | C3 | H6 | 60.4° | 180.0° |
| C2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C2 | C4 | H7 | H9 | 120.0° | 120.0° |
| C2 | C4 | H8 | H9 | 120.0° | 120.0° |
| H3 | C2 | C3 | H4 | 61.0° | 180.0° |
| H3 | C2 | C3 | H5 | 58.9° | 60.0° |
| H3 | C2 | C3 | H6 | 178.9° | 60.0° |
| H3 | C2 | C4 | H7 | 62.4° | 180.0° |
| H3 | C2 | C4 | H8 | 177.6° | 60.0° |
| H3 | C2 | C4 | H9 | 57.6° | 60.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| O1 | C5 | N1 | C6 | 0.9° | 0.1° |
| O1 | C5 | N1 | H10 | 179.1° | 179.9° |
| C6 | N1 | H10 | C5 | 180.0° | 179.9° |
| N1 | C6 | C7 | C8 | 121.0° | 120.0° |
| N1 | C6 | C7 | H11 | 120.5° | 120.1° |
| N1 | C6 | C8 | H11 | 118.6° | 120.0° |
| N1 | C6 | C7 | O2 | 33.8° | 20.0° |
| N1 | C6 | C8 | C9 | 60.5° | 65.0° |
| N1 | C6 | C8 | H12 | 59.5° | 55.0° |
| N1 | C6 | C8 | H13 | 179.4° | 175.0° |
| N1 | C6 | C7 | N2 | 145.8° | 160.0° |
| H10 | N1 | C6 | C7 | 63.7° | 120.0° |
| H10 | N1 | C6 | C8 | 58.2° | 120.1° |
| H10 | N1 | C6 | H11 | 176.2° | 0.1° |
| C7 | C6 | C8 | H11 | 118.6° | 120.0° |
| C6 | C7 | O2 | N2 | 179.5° | 180.0° |
| C7 | C6 | C8 | C9 | 176.6° | 175.0° |
| C7 | C6 | C8 | H12 | 63.3° | 65.0° |
| C7 | C6 | C8 | H13 | 56.6° | 55.0° |
| C6 | C7 | N2 | C15 | 174.9° | 175.0° |
| C6 | C7 | N2 | H19 | 5.1° | 5.0° |
| C7 | C6 | N1 | C5 | 116.3° | 59.9° |
| C8 | C6 | C7 | O2 | 87.3° | 100.0° |
| C6 | C8 | C9 | H12 | 120.0° | 120.0° |
| C6 | C8 | C9 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H13 | 119.9° | 120.0° |
| C6 | C8 | C9 | C10 | 105.5° | 90.0° |
| C6 | C8 | C9 | C11 | 74.9° | 90.3° |
| C8 | C6 | N1 | C5 | 121.7° | 60.0° |
| C8 | C6 | C7 | N2 | 93.2° | 80.0° |
| H11 | C6 | C7 | O2 | 154.2° | 140.0° |
| H11 | C6 | C8 | C9 | 58.0° | 55.0° |
| H11 | C6 | C8 | H12 | 178.0° | 175.0° |
| H11 | C6 | C8 | H13 | 62.0° | 65.0° |
| H11 | C6 | N1 | C5 | 3.8° | 180.0° |
| H11 | C6 | C7 | N2 | 25.3° | 40.0° |
| O2 | C7 | N2 | C15 | 5.6° | 5.0° |
| O2 | C7 | N2 | H19 | 174.4° | 175.0° |
| C9 | C8 | H12 | H13 | 119.9° | 120.0° |
| C8 | C9 | C10 | C11 | 179.7° | 179.7° |
| C8 | C9 | C10 | C12 | 180.0° | 180.0° |
| C8 | C9 | C10 | H14 | 0.0° | 0.0° |
| C8 | C9 | C11 | C13 | 179.7° | 180.0° |
| C8 | C9 | C11 | H15 | 0.3° | 0.0° |
| H12 | C8 | C9 | C10 | 14.6° | 30.0° |
| H12 | C8 | C9 | C11 | 165.1° | 149.7° |
| H13 | C8 | C9 | C10 | 134.5° | 150.0° |
| H13 | C8 | C9 | C11 | 45.2° | 29.7° |
| C9 | C10 | C12 | H14 | 180.0° | 180.0° |
| C10 | C9 | C11 | C13 | 0.0° | 0.2° |
| C10 | C9 | C11 | H15 | 180.0° | 179.7° |
| C9 | C10 | C12 | C14 | 0.5° | 0.0° |
| C9 | C10 | C12 | H16 | 179.5° | 180.0° |
| C11 | C9 | C10 | C12 | 0.3° | 0.3° |
| C11 | C9 | C10 | H14 | 179.7° | 179.7° |
| C9 | C11 | C13 | H15 | 180.0° | 180.0° |
| C9 | C11 | C13 | C14 | 0.2° | 0.1° |
| C9 | C11 | C13 | H17 | 179.8° | 180.0° |
| C10 | C12 | C14 | H16 | 180.0° | 180.0° |
| C10 | C12 | C14 | C13 | 0.3° | 0.3° |
| C10 | C12 | C14 | O3 | 179.6° | 180.0° |
| H14 | C10 | C12 | C14 | 179.5° | 180.0° |
| H14 | C10 | C12 | H16 | 0.5° | 0.0° |
| C11 | C13 | C14 | C12 | 0.0° | 0.4° |
| C11 | C13 | C14 | H17 | 180.0° | 179.9° |
| C11 | C13 | C14 | O3 | 179.9° | 179.9° |
| H15 | C11 | C13 | C14 | 179.8° | 180.0° |
| H15 | C11 | C13 | H17 | 0.2° | 0.0° |
| C12 | C14 | C13 | O3 | 179.9° | 179.7° |
| C12 | C14 | C13 | H17 | 180.0° | 179.7° |
| C12 | C14 | O3 | H18 | 180.0° | 90.0° |
| H16 | C12 | C14 | C13 | 179.7° | 179.7° |
| H16 | C12 | C14 | O3 | 0.4° | 0.0° |
| C13 | C14 | O3 | H18 | 0.0° | 89.7° |
| H17 | C13 | C14 | O3 | 0.0° | 0.0° |
| C15 | N2 | H19 | C7 | 180.0° | 180.0° |
| N2 | C15 | C16 | C17 | 119.0° | 120.0° |
| N2 | C15 | C16 | H20 | 120.0° | 120.0° |
| N2 | C15 | C17 | H20 | 118.7° | 120.0° |
| N2 | C15 | C16 | O4 | 51.6° | 13.6° |
| N2 | C15 | C17 | C18 | 52.3° | 173.9° |
| N2 | C15 | C17 | H21 | 68.9° | 54.0° |
| N2 | C15 | C17 | H22 | 173.6° | 66.1° |
| N2 | C15 | C16 | N3 | 129.7° | 166.4° |
| H19 | N2 | C15 | C16 | 94.7° | 28.5° |
| H19 | N2 | C15 | C17 | 27.8° | 91.5° |
| H19 | N2 | C15 | H20 | 145.8° | 148.5° |
| C16 | C15 | C17 | H20 | 121.1° | 120.0° |
| C15 | C16 | O4 | N3 | 178.5° | 180.0° |
| C16 | C15 | C17 | C18 | 172.6° | 66.1° |
| C16 | C15 | C17 | H21 | 51.4° | 174.0° |
| C16 | C15 | C17 | H22 | 66.2° | 53.9° |
| C15 | C16 | N3 | C22 | 177.3° | 175.1° |
| C15 | C16 | N3 | H32 | 2.8° | 5.0° |
| C16 | C15 | N2 | C7 | 85.3° | 151.5° |
| C17 | C15 | C16 | O4 | 67.3° | 106.4° |
| C15 | C17 | C18 | H21 | 121.2° | 119.9° |
| C15 | C17 | C18 | H22 | 121.2° | 120.0° |
| C15 | C17 | H21 | H22 | 116.1° | 120.0° |
| C15 | C17 | C18 | C19 | 178.4° | 66.3° |
| C15 | C17 | C18 | C20 | 57.1° | 173.7° |
| C15 | C17 | C18 | H23 | 59.7° | 53.7° |
| C17 | C15 | N2 | C7 | 152.3° | 88.5° |
| C17 | C15 | C16 | N3 | 111.4° | 73.6° |
| H20 | C15 | C16 | O4 | 171.6° | 133.5° |
| H20 | C15 | C17 | C18 | 66.3° | 53.9° |
| H20 | C15 | C17 | H21 | 172.5° | 66.0° |
| H20 | C15 | C17 | H22 | 54.9° | 173.9° |
| H20 | C15 | N2 | C7 | 34.2° | 31.5° |
| H20 | C15 | C16 | N3 | 9.7° | 46.5° |
| O4 | C16 | N3 | C22 | 4.1° | 4.9° |
| O4 | C16 | N3 | H32 | 175.9° | 175.0° |
| C18 | C17 | H21 | H22 | 116.1° | 120.0° |
| C17 | C18 | C19 | C20 | 122.4° | 120.0° |
| C17 | C18 | C19 | H23 | 118.4° | 120.0° |
| C17 | C18 | C20 | H23 | 116.7° | 120.0° |
| C17 | C18 | C19 | H24 | 180.0° | 64.1° |
| C17 | C18 | C19 | H25 | 60.0° | 175.8° |
| C17 | C18 | C19 | H26 | 60.0° | 55.9° |
| C17 | C18 | C20 | H27 | 180.0° | 60.0° |
| C17 | C18 | C20 | H28 | 60.0° | 180.0° |
| C17 | C18 | C20 | H29 | 60.0° | 60.0° |
| H21 | C17 | C18 | C19 | 57.2° | 53.6° |
| H21 | C17 | C18 | C20 | 178.4° | 66.3° |
| H21 | C17 | C18 | H23 | 61.5° | 173.6° |
| H22 | C17 | C18 | C19 | 60.4° | 173.7° |
| H22 | C17 | C18 | C20 | 64.1° | 53.8° |
| H22 | C17 | C18 | H23 | 179.1° | 66.3° |
| C19 | C18 | C20 | H23 | 119.3° | 120.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.0° |
| C18 | C19 | H24 | H26 | 120.0° | 120.0° |
| C18 | C19 | H25 | H26 | 120.0° | 120.0° |
| C19 | C18 | C20 | H27 | 56.1° | 180.0° |
| C19 | C18 | C20 | H28 | 64.0° | 60.1° |
| C19 | C18 | C20 | H29 | 176.1° | 60.0° |
| C20 | C18 | C19 | H24 | 57.6° | 55.8° |
| C20 | C18 | C19 | H25 | 177.6° | 64.2° |
| C20 | C18 | C19 | H26 | 62.5° | 175.9° |
| C18 | C20 | H27 | H28 | 120.0° | 120.0° |
| C18 | C20 | H27 | H29 | 120.0° | 120.0° |
| C18 | C20 | H28 | H29 | 120.0° | 120.0° |
| H23 | C18 | C19 | H24 | 61.6° | 175.8° |
| H23 | C18 | C19 | H25 | 58.4° | 55.8° |
| H23 | C18 | C19 | H26 | 178.4° | 64.1° |
| H23 | C18 | C20 | H27 | 63.3° | 60.0° |
| H23 | C18 | C20 | H28 | 176.7° | 59.9° |
| H23 | C18 | C20 | H29 | 56.7° | 180.0° |
| H24 | C19 | H25 | H26 | 120.0° | 120.0° |
| H27 | C20 | H28 | H29 | 120.0° | 120.0° |
| O5 | C21 | C22 | H30 | 120.8° | 120.0° |
| O5 | C21 | C22 | H31 | 120.8° | 120.0° |
| O5 | C21 | H30 | H31 | 117.6° | 120.0° |
| O5 | C21 | C22 | N3 | 177.3° | 65.0° |
| O5 | C21 | C22 | C23 | 55.9° | 55.0° |
| O5 | C21 | C22 | H34 | 63.4° | 175.0° |
| C22 | C21 | H30 | H31 | 117.6° | 120.0° |
| C21 | C22 | N3 | C23 | 125.0° | 120.0° |
| C21 | C22 | N3 | H34 | 118.8° | 120.0° |
| C21 | C22 | N3 | H32 | 82.8° | 94.9° |
| C22 | C21 | O5 | H33 | 180.0° | 180.0° |
| C21 | C22 | C23 | H34 | 119.2° | 120.0° |
| C21 | C22 | C23 | C24 | 163.4° | 175.0° |
| C21 | C22 | C23 | H35 | 75.6° | 65.0° |
| C21 | C22 | C23 | H36 | 42.4° | 55.0° |
| C21 | C22 | N3 | C16 | 97.2° | 85.0° |
| H30 | C21 | C22 | N3 | 61.9° | 175.1° |
| H30 | C21 | O5 | H33 | 59.2° | 60.0° |
| H30 | C21 | C22 | C23 | 176.7° | 65.0° |
| H30 | C21 | C22 | H34 | 57.4° | 55.0° |
| H31 | C21 | C22 | N3 | 56.5° | 55.0° |
| H31 | C21 | O5 | H33 | 59.2° | 60.0° |
| H31 | C21 | C22 | C23 | 64.9° | 175.0° |
| H31 | C21 | C22 | H34 | 175.8° | 65.0° |
| C22 | N3 | H32 | C16 | 180.0° | 179.9° |
| N3 | C22 | C23 | H34 | 116.6° | 120.0° |
| N3 | C22 | C23 | C24 | 72.4° | 65.0° |
| N3 | C22 | C23 | H35 | 48.6° | 55.0° |
| N3 | C22 | C23 | H36 | 166.6° | 175.0° |
| H32 | N3 | C22 | C23 | 42.3° | 25.0° |
| H32 | N3 | C22 | H34 | 158.4° | 145.1° |
| C22 | C23 | C24 | H35 | 121.0° | 120.1° |
| C22 | C23 | C24 | H36 | 121.0° | 119.9° |
| C22 | C23 | H35 | H36 | 116.8° | 120.0° |
| C22 | C23 | C24 | C26 | 153.3° | 89.7° |
| C22 | C23 | C24 | C27 | 27.3° | 90.1° |
| C23 | C22 | N3 | C16 | 137.8° | 155.1° |
| H34 | C22 | C23 | C24 | 44.2° | 55.0° |
| H34 | C22 | C23 | H35 | 165.2° | 175.0° |
| H34 | C22 | C23 | H36 | 76.8° | 65.0° |
| H34 | C22 | N3 | C16 | 21.6° | 35.0° |
| C24 | C23 | H35 | H36 | 116.8° | 120.0° |
| C23 | C24 | C26 | C27 | 179.5° | 179.8° |
| C23 | C24 | C26 | C28 | 179.9° | 180.0° |
| C23 | C24 | C26 | H38 | 0.1° | 0.0° |
| C23 | C24 | C27 | C29 | 179.3° | 180.0° |
| C23 | C24 | C27 | H39 | 0.7° | 0.0° |
| H35 | C23 | C24 | C26 | 32.3° | 150.2° |
| H35 | C23 | C24 | C27 | 148.3° | 30.0° |
| H36 | C23 | C24 | C26 | 85.7° | 30.2° |
| H36 | C23 | C24 | C27 | 93.8° | 150.0° |
| C24 | C26 | C28 | C25 | 0.7° | 0.0° |
| C24 | C26 | C28 | H38 | 180.0° | 180.0° |
| C26 | C24 | C27 | C29 | 0.1° | 0.2° |
| C26 | C24 | C27 | H39 | 179.8° | 179.7° |
| C24 | C26 | C28 | H40 | 179.3° | 179.9° |
| C24 | C27 | C29 | C25 | 0.5° | 0.1° |
| C27 | C24 | C26 | C28 | 0.4° | 0.2° |
| C27 | C24 | C26 | H38 | 179.6° | 179.8° |
| C24 | C27 | C29 | H39 | 180.0° | 179.9° |
| C24 | C27 | C29 | H41 | 179.5° | 179.7° |
| O6 | C25 | C28 | C29 | 179.7° | 179.7° |
| O6 | C25 | C28 | C26 | 179.3° | 180.0° |
| O6 | C25 | C29 | C27 | 179.9° | 180.0° |
| O6 | C25 | C28 | H40 | 0.7° | 0.0° |
| O6 | C25 | C29 | H41 | 0.2° | 0.4° |
| H37 | O6 | C25 | C28 | 180.0° | 90.3° |
| H37 | O6 | C25 | C29 | 0.3° | 90.0° |
| C25 | C28 | C26 | H40 | 180.0° | 179.9° |
| C25 | C28 | C26 | H38 | 179.3° | 180.0° |
| C28 | C25 | C29 | C27 | 0.2° | 0.3° |
| C28 | C25 | C29 | H41 | 179.8° | 180.0° |
| C29 | C25 | C28 | C26 | 0.4° | 0.3° |
| C25 | C29 | C27 | H41 | 180.0° | 179.6° |
| C25 | C29 | C27 | H39 | 179.5° | 180.0° |
| C29 | C25 | C28 | H40 | 179.6° | 179.6° |
| H38 | C26 | C28 | H40 | 0.7° | 0.1° |
| H39 | C27 | C29 | H41 | 0.5° | 0.3° |
