YNP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C21 | O7 | sing | 1.43Å | 1.38Å | |
| C21 | C20 | sing | 1.53Å | 1.59Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O7 | C20 | sing | 1.43Å | 1.34Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| O4 | C11 | doub | 1.21Å | 1.19Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C12 | O5 | sing | 1.45Å | 1.41Å | |
| C11 | O3 | sing | 1.34Å | 1.40Å | |
| C18 | C10 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| O3 | C10 | sing | 1.45Å | 1.40Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C49 | C2 | sing | 1.53Å | 1.53Å | |
| O5 | C13 | sing | 1.34Å | 1.40Å | |
| C13 | C2 | sing | 1.51Å | 1.53Å | |
| C13 | O6 | doub | 1.21Å | 1.19Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C3 | N1 | sing | 1.48Å | 1.46Å | |
| C8 | C7 | doub | 1.33Å | 1.32Å | |
| C7 | C6 | sing | 1.47Å | 1.53Å | |
| N1 | C4 | sing | 1.37Å | 1.46Å | |
| C6 | N2 | sing | 1.36Å | 1.45Å | |
| C6 | O2 | doub | 1.22Å | 1.39Å | |
| N2 | C5 | sing | 1.48Å | 1.46Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | O1 | doub | 1.21Å | 1.40Å | |
| C5 | C28 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C33 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | O8 | sing | 1.36Å | 1.40Å | |
| C32 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| O8 | C35 | sing | 1.43Å | 1.40Å | |
| C31 | CL1 | sing | 1.74Å | 1.79Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C49 | H39 | sing | 1.09Å | 1.10Å | |
| C49 | H40 | sing | 1.09Å | 1.10Å | |
| C49 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C26 | 120.0° | 119.9° |
| C25 | C24 | C23 | 119.8° | 120.0° |
| C25 | C24 | H25 | 120.1° | 120.0° |
| C24 | C25 | H26 | 120.0° | 120.0° |
| C25 | C26 | C27 | 119.6° | 120.0° |
| C26 | C25 | H26 | 120.0° | 120.0° |
| C25 | C26 | H27 | 120.2° | 119.9° |
| C24 | C23 | C22 | 119.4° | 120.0° |
| C24 | C23 | H24 | 120.3° | 120.0° |
| C23 | C24 | H25 | 120.1° | 120.0° |
| C26 | C27 | C22 | 120.9° | 120.0° |
| C27 | C26 | H27 | 120.2° | 120.0° |
| C26 | C27 | H28 | 119.6° | 120.0° |
| C23 | C22 | C27 | 120.4° | 120.0° |
| C23 | C22 | C21 | 120.4° | 120.0° |
| C22 | C23 | H24 | 120.3° | 120.0° |
| C27 | C22 | C21 | 119.2° | 120.0° |
| C22 | C27 | H28 | 119.6° | 120.0° |
| C22 | C21 | O7 | 125.7° | 117.7° |
| C22 | C21 | C20 | 152.4° | 117.8° |
| C22 | C21 | H23 | 103.5° | 115.7° |
| C17 | C15 | C16 | 112.6° | 109.5° |
| C17 | C15 | C14 | 112.4° | 109.5° |
| C17 | C15 | H11 | 106.3° | 109.5° |
| C15 | C17 | H15 | 109.5° | 109.4° |
| C15 | C17 | H16 | 109.4° | 109.5° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C16 | C15 | C14 | 112.5° | 109.5° |
| C16 | C15 | H11 | 106.3° | 109.5° |
| C15 | C16 | H12 | 109.5° | 109.5° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| O7 | C21 | C20 | 53.2° | 57.6° |
| C21 | O7 | C20 | 71.2° | 64.7° |
| O7 | C21 | H23 | 104.9° | 117.8° |
| C21 | C20 | O7 | 55.6° | 57.7° |
| C21 | C20 | C18 | 109.6° | 117.8° |
| C21 | C20 | H22 | 118.9° | 117.7° |
| C20 | C21 | H23 | 102.9° | 117.8° |
| C15 | C14 | C12 | 111.0° | 109.5° |
| C15 | C14 | H9 | 109.1° | 109.4° |
| C15 | C14 | H10 | 109.1° | 109.4° |
| C14 | C15 | H11 | 106.3° | 109.4° |
| O7 | C20 | C18 | 110.5° | 117.8° |
| O7 | C20 | H22 | 124.8° | 117.7° |
| C20 | C18 | C10 | 113.3° | 109.5° |
| C20 | C18 | C19 | 110.8° | 109.4° |
| C20 | C18 | H18 | 106.2° | 109.5° |
| C18 | C20 | H22 | 120.2° | 115.7° |
| C14 | C12 | C11 | 115.2° | 109.5° |
| C14 | C12 | O5 | 113.9° | 109.9° |
| C14 | C12 | H8 | 106.1° | 109.5° |
| C12 | C14 | H9 | 109.1° | 109.5° |
| C12 | C14 | H10 | 109.1° | 109.5° |
| O4 | C11 | C12 | 121.5° | 119.2° |
| O4 | C11 | O3 | 121.6° | 120.0° |
| C11 | C12 | O5 | 107.6° | 109.5° |
| C12 | C11 | O3 | 116.8° | 120.8° |
| C11 | C12 | H8 | 106.1° | 109.4° |
| C12 | O5 | C13 | 118.4° | 117.0° |
| O5 | C12 | H8 | 107.5° | 109.0° |
| C11 | O3 | C10 | 114.6° | 117.8° |
| C10 | C18 | C19 | 113.6° | 109.4° |
| C18 | C10 | O3 | 106.4° | 109.4° |
| C18 | C10 | C9 | 110.7° | 109.5° |
| C18 | C10 | H7 | 110.9° | 109.5° |
| C10 | C18 | H18 | 106.1° | 109.5° |
| C19 | C18 | H18 | 106.2° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.5° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| O3 | C10 | C9 | 104.4° | 109.6° |
| O3 | C10 | H7 | 113.0° | 109.4° |
| C10 | C9 | C8 | 117.6° | 109.5° |
| C9 | C10 | H7 | 111.1° | 109.5° |
| C10 | C9 | H42 | 107.4° | 109.4° |
| C10 | C9 | H43 | 107.4° | 109.5° |
| C49 | C2 | C13 | 113.6° | 109.4° |
| C49 | C2 | C3 | 113.4° | 109.4° |
| C49 | C2 | H2 | 105.4° | 109.5° |
| C2 | C49 | H39 | 109.5° | 109.5° |
| C2 | C49 | H40 | 109.4° | 109.4° |
| C2 | C49 | H41 | 109.4° | 109.4° |
| O5 | C13 | C2 | 119.0° | 120.0° |
| O5 | C13 | O6 | 121.0° | 120.0° |
| C2 | C13 | O6 | 120.0° | 120.0° |
| C13 | C2 | C3 | 112.6° | 109.5° |
| C13 | C2 | H2 | 105.4° | 109.5° |
| C2 | C3 | N1 | 110.4° | 108.4° |
| C3 | C2 | H2 | 105.4° | 109.5° |
| C2 | C3 | H31 | 109.3° | 109.7° |
| C2 | C3 | H32 | 109.2° | 109.7° |
| C9 | C8 | C7 | 118.3° | 120.0° |
| C9 | C8 | H6 | 120.8° | 120.0° |
| C8 | C9 | H42 | 107.4° | 109.4° |
| C8 | C9 | H43 | 107.4° | 109.5° |
| C3 | N1 | C4 | 145.8° | 114.4° |
| C3 | N1 | H1 | 107.1° | 122.9° |
| N1 | C3 | H31 | 109.2° | 109.7° |
| N1 | C3 | H32 | 109.3° | 109.7° |
| C8 | C7 | C6 | 121.4° | 119.9° |
| C8 | C7 | H5 | 119.3° | 120.0° |
| C7 | C8 | H6 | 120.8° | 120.1° |
| C7 | C6 | N2 | 123.7° | 119.1° |
| C7 | C6 | O2 | 118.5° | 120.4° |
| C6 | C7 | H5 | 119.3° | 120.1° |
| N1 | C4 | C5 | 122.1° | 118.4° |
| N1 | C4 | O1 | 118.6° | 120.9° |
| C4 | N1 | H1 | 107.1° | 122.8° |
| N2 | C6 | O2 | 117.8° | 120.5° |
| C6 | N2 | C5 | 166.5° | 115.9° |
| C6 | N2 | H4 | 96.7° | 122.1° |
| N2 | C5 | C4 | 109.5° | 108.4° |
| N2 | C5 | C28 | 109.6° | 109.7° |
| N2 | C5 | H3 | 109.5° | 109.7° |
| C5 | N2 | H4 | 96.8° | 122.0° |
| C5 | C4 | O1 | 119.3° | 120.8° |
| C4 | C5 | C28 | 111.3° | 109.7° |
| C4 | C5 | H3 | 108.4° | 109.7° |
| C5 | C28 | C29 | 114.0° | 109.5° |
| C28 | C5 | H3 | 108.4° | 109.7° |
| C5 | C28 | H29 | 108.3° | 109.5° |
| C5 | C28 | H30 | 108.3° | 109.5° |
| C33 | C34 | C29 | 121.5° | 120.0° |
| C34 | C33 | C32 | 120.1° | 120.0° |
| C34 | C33 | H34 | 119.9° | 120.0° |
| C33 | C34 | H35 | 119.3° | 119.9° |
| C34 | C29 | C28 | 121.1° | 119.9° |
| C34 | C29 | C30 | 117.8° | 120.2° |
| C29 | C34 | H35 | 119.3° | 120.0° |
| C28 | C29 | C30 | 121.2° | 119.9° |
| C29 | C28 | H29 | 108.3° | 109.5° |
| C29 | C28 | H30 | 108.3° | 109.5° |
| C33 | C32 | O8 | 119.6° | 120.1° |
| C33 | C32 | C31 | 119.9° | 119.9° |
| C32 | C33 | H34 | 119.9° | 120.0° |
| C29 | C30 | C31 | 120.6° | 120.0° |
| C29 | C30 | H33 | 119.7° | 120.0° |
| O8 | C32 | C31 | 120.5° | 120.1° |
| C32 | O8 | C35 | 113.9° | 117.0° |
| C32 | C31 | C30 | 120.1° | 119.9° |
| C32 | C31 | CL1 | 119.9° | 120.0° |
| C30 | C31 | CL1 | 120.0° | 120.1° |
| C31 | C30 | H33 | 119.7° | 120.0° |
| O8 | C35 | H36 | 109.5° | 109.5° |
| O8 | C35 | H37 | 109.5° | 109.5° |
| O8 | C35 | H38 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H17 | 109.4° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.8° |
| H36 | C35 | H37 | 109.5° | 109.5° |
| H36 | C35 | H38 | 109.4° | 109.5° |
| H37 | C35 | H38 | 109.4° | 109.4° |
| H39 | C49 | H40 | 109.5° | 109.5° |
| H39 | C49 | H41 | 109.5° | 109.5° |
| H40 | C49 | H41 | 109.5° | 109.5° |
| H42 | C9 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C24 | C23 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.2° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C25 | C24 | C23 | H24 | 179.9° | 179.9° |
| C24 | C25 | C26 | H27 | 179.9° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.1° |
| C25 | C26 | C27 | H27 | 180.0° | 179.8° |
| C25 | C26 | C27 | C22 | 0.1° | 0.5° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C25 | C26 | C27 | H28 | 179.9° | 180.0° |
| C24 | C23 | C22 | H24 | 180.0° | 179.9° |
| C24 | C23 | C22 | C27 | 0.2° | 0.3° |
| C24 | C23 | C22 | C21 | 179.7° | 180.0° |
| C23 | C24 | C25 | H26 | 179.9° | 179.9° |
| C26 | C27 | C22 | C23 | 0.1° | 0.6° |
| C26 | C27 | C22 | H28 | 180.0° | 179.5° |
| C26 | C27 | C22 | C21 | 179.7° | 179.7° |
| C27 | C26 | C25 | H26 | 179.8° | 179.8° |
| C23 | C22 | C27 | C21 | 179.6° | 179.7° |
| C23 | C22 | C21 | O7 | 52.4° | 163.6° |
| C23 | C22 | C21 | C20 | 129.7° | 97.6° |
| C23 | C22 | C21 | H23 | 67.4° | 49.4° |
| C22 | C23 | C24 | H25 | 179.9° | 180.0° |
| C23 | C22 | C27 | H28 | 179.9° | 180.0° |
| C27 | C22 | C21 | O7 | 127.2° | 16.1° |
| C27 | C22 | C21 | C20 | 49.8° | 82.1° |
| C27 | C22 | C21 | H23 | 113.0° | 130.9° |
| C27 | C22 | C23 | H24 | 179.8° | 179.8° |
| C22 | C27 | C26 | H27 | 179.9° | 179.7° |
| C22 | C21 | O7 | C20 | 145.7° | 106.9° |
| C22 | C21 | O7 | H23 | 119.2° | 146.3° |
| C22 | C21 | C20 | H23 | 162.9° | 146.4° |
| C22 | C21 | C20 | C18 | 159.9° | 146.3° |
| C22 | C21 | C20 | H22 | 16.3° | 0.1° |
| C21 | C22 | C23 | H24 | 0.3° | 0.1° |
| C21 | C22 | C27 | H28 | 0.3° | 0.3° |
| C17 | C15 | C16 | C14 | 128.2° | 120.1° |
| C17 | C15 | C16 | H11 | 115.9° | 120.0° |
| C17 | C15 | C14 | H11 | 115.8° | 120.0° |
| C17 | C15 | C14 | C12 | 109.9° | 174.1° |
| C17 | C15 | C14 | H9 | 10.3° | 65.9° |
| C17 | C15 | C14 | H10 | 129.9° | 54.0° |
| C17 | C15 | C16 | H12 | 180.0° | 58.5° |
| C17 | C15 | C16 | H13 | 60.0° | 61.6° |
| C17 | C15 | C16 | H14 | 60.0° | 178.4° |
| C15 | C17 | H15 | H16 | 120.0° | 120.0° |
| C15 | C17 | H15 | H17 | 120.0° | 120.0° |
| C15 | C17 | H16 | H17 | 120.0° | 120.0° |
| C16 | C15 | C14 | H11 | 115.9° | 120.0° |
| C16 | C15 | C14 | C12 | 18.3° | 65.9° |
| C16 | C15 | C14 | H9 | 138.6° | 54.1° |
| C16 | C15 | C14 | H10 | 101.9° | 174.0° |
| C15 | C16 | H12 | H13 | 120.0° | 120.0° |
| C15 | C16 | H12 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C16 | C15 | C17 | H15 | 180.0° | 180.0° |
| C16 | C15 | C17 | H16 | 60.0° | 60.0° |
| C16 | C15 | C17 | H17 | 60.0° | 60.0° |
| O7 | C21 | C20 | H23 | 99.0° | 106.8° |
| O7 | C21 | C20 | C18 | 102.0° | 106.9° |
| O7 | C21 | C20 | H22 | 114.3° | 106.8° |
| C21 | C20 | C18 | H22 | 143.1° | 146.9° |
| C21 | C20 | C18 | C10 | 84.1° | 176.4° |
| C21 | C20 | C18 | C19 | 146.8° | 63.7° |
| C21 | C20 | C18 | H18 | 32.0° | 56.3° |
| C15 | C14 | C12 | H9 | 120.2° | 120.0° |
| C15 | C14 | C12 | H10 | 120.2° | 120.0° |
| C15 | C14 | C12 | C11 | 116.0° | 65.8° |
| C15 | C14 | C12 | O5 | 119.0° | 173.9° |
| C15 | C14 | C12 | H8 | 1.0° | 54.2° |
| C15 | C14 | H9 | H10 | 119.3° | 119.9° |
| C14 | C15 | C16 | H12 | 51.9° | 61.6° |
| C14 | C15 | C16 | H13 | 171.9° | 178.4° |
| C14 | C15 | C16 | H14 | 68.1° | 58.4° |
| C14 | C15 | C17 | H15 | 51.8° | 60.0° |
| C14 | C15 | C17 | H16 | 68.2° | 180.0° |
| C14 | C15 | C17 | H17 | 171.8° | 60.0° |
| O7 | C20 | C18 | H22 | 157.4° | 147.0° |
| O7 | C20 | C18 | C10 | 143.6° | 117.5° |
| O7 | C20 | C18 | C19 | 87.3° | 2.4° |
| O7 | C20 | C18 | H18 | 27.6° | 122.4° |
| C20 | C18 | C10 | C19 | 127.6° | 120.0° |
| C20 | C18 | C10 | H18 | 116.1° | 120.1° |
| C20 | C18 | C19 | H18 | 114.9° | 120.0° |
| C20 | C18 | C10 | O3 | 77.1° | 60.0° |
| C20 | C18 | C10 | C9 | 170.0° | 180.0° |
| C20 | C18 | C10 | H7 | 46.2° | 60.0° |
| C20 | C18 | C19 | H19 | 180.0° | 180.0° |
| C20 | C18 | C19 | H20 | 60.0° | 60.0° |
| C20 | C18 | C19 | H21 | 60.0° | 60.0° |
| C18 | C20 | C21 | H23 | 3.0° | 0.1° |
| C14 | C12 | C11 | O4 | 6.8° | 55.6° |
| C14 | C12 | C11 | O5 | 128.2° | 120.6° |
| C14 | C12 | C11 | H8 | 117.0° | 119.9° |
| C14 | C12 | O5 | H8 | 117.2° | 120.0° |
| C14 | C12 | C11 | O3 | 173.2° | 124.6° |
| C14 | C12 | O5 | C13 | 27.0° | 96.1° |
| C12 | C14 | H9 | H10 | 119.3° | 120.0° |
| C12 | C14 | C15 | H11 | 134.2° | 54.1° |
| O4 | C11 | C12 | O3 | 180.0° | 179.8° |
| O4 | C11 | C12 | O5 | 121.4° | 65.0° |
| O4 | C11 | O3 | C10 | 30.9° | 0.3° |
| O4 | C11 | C12 | H8 | 123.8° | 175.5° |
| C11 | C12 | O5 | H8 | 113.9° | 119.7° |
| C12 | C11 | O3 | C10 | 149.1° | 179.9° |
| C11 | C12 | O5 | C13 | 102.0° | 143.6° |
| C11 | C12 | C14 | H9 | 4.3° | 174.2° |
| C11 | C12 | C14 | H10 | 123.8° | 54.3° |
| O5 | C12 | C11 | O3 | 58.6° | 114.8° |
| C12 | O5 | C13 | C2 | 113.4° | 179.0° |
| C12 | O5 | C13 | O6 | 68.2° | 1.0° |
| O5 | C12 | C14 | H9 | 120.8° | 53.9° |
| O5 | C12 | C14 | H10 | 1.3° | 66.1° |
| C11 | O3 | C10 | C18 | 126.1° | 115.0° |
| C11 | O3 | C10 | C9 | 116.8° | 125.0° |
| C11 | O3 | C10 | H7 | 4.1° | 4.9° |
| O3 | C11 | C12 | H8 | 56.3° | 4.7° |
| C10 | C18 | C19 | H18 | 116.2° | 120.0° |
| C18 | C10 | O3 | C9 | 117.2° | 120.0° |
| C18 | C10 | O3 | H7 | 122.0° | 120.0° |
| C18 | C10 | C9 | H7 | 123.7° | 120.0° |
| C18 | C10 | C9 | C8 | 158.0° | 163.6° |
| C10 | C18 | C19 | H19 | 51.1° | 60.0° |
| C10 | C18 | C19 | H20 | 171.1° | 180.0° |
| C10 | C18 | C19 | H21 | 69.0° | 60.0° |
| C10 | C18 | C20 | H22 | 59.0° | 29.5° |
| C18 | C10 | C9 | H42 | 80.8° | 76.4° |
| C18 | C10 | C9 | H43 | 36.9° | 43.5° |
| C19 | C18 | C10 | O3 | 155.2° | 179.9° |
| C19 | C18 | C10 | C9 | 42.3° | 60.0° |
| C19 | C18 | C10 | H7 | 81.4° | 60.0° |
| C18 | C19 | H19 | H20 | 120.0° | 120.0° |
| C18 | C19 | H19 | H21 | 120.0° | 120.0° |
| C18 | C19 | H20 | H21 | 120.0° | 120.0° |
| C19 | C18 | C20 | H22 | 70.1° | 149.4° |
| O3 | C10 | C9 | H7 | 122.1° | 120.0° |
| O3 | C10 | C9 | C8 | 87.8° | 43.6° |
| O3 | C10 | C18 | H18 | 39.0° | 60.1° |
| O3 | C10 | C9 | H42 | 33.4° | 163.6° |
| O3 | C10 | C9 | H43 | 151.1° | 76.4° |
| C10 | C9 | C8 | H42 | 121.2° | 120.0° |
| C10 | C9 | C8 | H43 | 121.1° | 120.1° |
| C10 | C9 | C8 | C7 | 132.3° | 109.0° |
| C10 | C9 | C8 | H6 | 47.7° | 70.6° |
| C9 | C10 | C18 | H18 | 73.9° | 60.0° |
| C10 | C9 | H42 | H43 | 116.3° | 120.0° |
| C49 | C2 | C13 | O5 | 36.4° | 11.1° |
| C49 | C2 | C13 | C3 | 130.7° | 120.0° |
| C49 | C2 | C13 | H2 | 114.9° | 120.0° |
| C49 | C2 | C13 | O6 | 145.2° | 169.0° |
| C49 | C2 | C3 | H2 | 114.8° | 120.0° |
| C49 | C2 | C3 | N1 | 125.6° | 42.0° |
| C49 | C2 | C3 | H31 | 114.3° | 161.7° |
| C49 | C2 | C3 | H32 | 5.4° | 77.7° |
| C2 | C49 | H39 | H40 | 120.0° | 119.9° |
| C2 | C49 | H39 | H41 | 120.0° | 120.0° |
| C2 | C49 | H40 | H41 | 120.0° | 119.9° |
| O5 | C13 | C2 | O6 | 178.4° | 179.9° |
| O5 | C13 | C2 | C3 | 167.0° | 131.1° |
| O5 | C13 | C2 | H2 | 78.6° | 108.9° |
| C13 | O5 | C12 | H8 | 144.2° | 23.9° |
| C13 | C2 | C3 | H2 | 114.4° | 120.0° |
| C13 | C2 | C3 | N1 | 103.7° | 78.0° |
| C13 | C2 | C3 | H31 | 16.4° | 41.7° |
| C13 | C2 | C3 | H32 | 136.2° | 162.3° |
| C13 | C2 | C49 | H39 | 180.0° | 52.5° |
| C13 | C2 | C49 | H40 | 60.0° | 67.5° |
| C13 | C2 | C49 | H41 | 60.0° | 172.5° |
| O6 | C13 | C2 | C3 | 14.5° | 49.0° |
| O6 | C13 | C2 | H2 | 99.9° | 71.1° |
| C2 | C3 | N1 | H31 | 120.1° | 119.7° |
| C2 | C3 | N1 | H32 | 120.1° | 119.7° |
| C2 | C3 | N1 | C4 | 59.6° | 160.5° |
| C2 | C3 | N1 | H1 | 120.4° | 19.8° |
| C2 | C3 | H31 | H32 | 119.6° | 120.6° |
| C3 | C2 | C49 | H39 | 49.7° | 67.6° |
| C3 | C2 | C49 | H40 | 70.3° | 172.5° |
| C3 | C2 | C49 | H41 | 169.7° | 52.5° |
| C9 | C8 | C7 | H6 | 180.0° | 179.6° |
| C9 | C8 | C7 | C6 | 178.5° | 179.1° |
| C9 | C8 | C7 | H5 | 1.5° | 0.7° |
| C8 | C9 | C10 | H7 | 34.4° | 76.4° |
| C8 | C9 | H42 | H43 | 116.3° | 120.0° |
| C3 | N1 | C4 | H1 | 180.0° | 179.7° |
| C3 | N1 | C4 | C5 | 66.8° | 174.7° |
| C3 | N1 | C4 | O1 | 113.4° | 5.3° |
| N1 | C3 | C2 | H2 | 10.7° | 162.0° |
| N1 | C3 | H31 | H32 | 119.6° | 120.5° |
| C8 | C7 | C6 | H5 | 180.0° | 179.8° |
| C8 | C7 | C6 | N2 | 135.6° | 179.7° |
| C8 | C7 | C6 | O2 | 47.0° | 0.2° |
| C7 | C8 | C9 | H42 | 11.1° | 131.0° |
| C7 | C8 | C9 | H43 | 106.6° | 11.1° |
| C7 | C6 | N2 | O2 | 177.4° | 179.9° |
| C7 | C6 | N2 | C5 | 142.9° | 175.7° |
| C7 | C6 | N2 | H4 | 37.0° | 4.2° |
| C6 | C7 | C8 | H6 | 1.5° | 0.5° |
| N1 | C4 | C5 | N2 | 87.1° | 74.5° |
| N1 | C4 | C5 | O1 | 179.8° | 180.0° |
| N1 | C4 | C5 | C28 | 151.5° | 45.1° |
| N1 | C4 | C5 | H3 | 32.3° | 165.7° |
| C4 | N1 | C3 | H31 | 60.5° | 40.8° |
| C4 | N1 | C3 | H32 | 179.8° | 79.8° |
| C6 | N2 | C5 | H4 | 180.0° | 180.0° |
| C6 | N2 | C5 | C4 | 109.8° | 88.5° |
| C6 | N2 | C5 | C28 | 12.6° | 31.2° |
| C6 | N2 | C5 | H3 | 131.5° | 151.7° |
| N2 | C6 | C7 | H5 | 44.4° | 0.6° |
| O2 | C6 | N2 | C5 | 34.5° | 4.4° |
| O2 | C6 | N2 | H4 | 145.5° | 175.7° |
| O2 | C6 | C7 | H5 | 133.0° | 179.5° |
| N2 | C5 | C4 | C28 | 121.4° | 119.7° |
| N2 | C5 | C4 | H3 | 119.4° | 119.8° |
| N2 | C5 | C4 | O1 | 93.1° | 105.5° |
| N2 | C5 | C28 | H3 | 119.5° | 120.6° |
| N2 | C5 | C28 | C29 | 57.8° | 168.9° |
| N2 | C5 | C28 | H29 | 62.9° | 48.9° |
| N2 | C5 | C28 | H30 | 178.5° | 71.1° |
| C4 | C5 | C28 | H3 | 119.2° | 120.5° |
| C4 | C5 | C28 | C29 | 179.2° | 72.2° |
| C5 | C4 | N1 | H1 | 113.2° | 5.6° |
| C4 | C5 | N2 | H4 | 70.2° | 91.5° |
| C4 | C5 | C28 | H29 | 58.5° | 167.8° |
| C4 | C5 | C28 | H30 | 60.2° | 47.8° |
| O1 | C4 | C5 | C28 | 28.3° | 134.8° |
| O1 | C4 | N1 | H1 | 66.6° | 174.4° |
| O1 | C4 | C5 | H3 | 147.5° | 14.3° |
| C5 | C28 | C29 | C34 | 48.8° | 90.3° |
| C5 | C28 | C29 | H29 | 120.7° | 120.1° |
| C5 | C28 | C29 | H30 | 120.7° | 120.0° |
| C5 | C28 | C29 | C30 | 131.4° | 90.0° |
| C28 | C5 | N2 | H4 | 167.3° | 148.8° |
| C5 | C28 | H29 | H30 | 117.9° | 120.0° |
| C33 | C34 | C29 | H35 | 180.0° | 179.5° |
| C33 | C34 | C29 | C28 | 179.8° | 179.8° |
| C34 | C33 | C32 | H34 | 180.0° | 179.8° |
| C33 | C34 | C29 | C30 | 0.0° | 0.5° |
| C34 | C33 | C32 | O8 | 179.8° | 179.7° |
| C34 | C33 | C32 | C31 | 0.3° | 0.3° |
| C34 | C29 | C28 | C30 | 179.8° | 179.7° |
| C29 | C34 | C33 | C32 | 0.2° | 0.5° |
| C34 | C29 | C30 | C31 | 0.0° | 0.3° |
| C34 | C29 | C28 | H29 | 169.5° | 149.7° |
| C34 | C29 | C28 | H30 | 71.9° | 29.7° |
| C34 | C29 | C30 | H33 | 180.0° | 179.8° |
| C29 | C34 | C33 | H34 | 179.8° | 179.7° |
| C28 | C29 | C30 | C31 | 179.8° | 180.0° |
| C29 | C28 | C5 | H3 | 61.6° | 48.3° |
| C29 | C28 | H29 | H30 | 117.9° | 120.0° |
| C28 | C29 | C30 | H33 | 0.2° | 0.1° |
| C28 | C29 | C34 | H35 | 0.2° | 0.3° |
| C33 | C32 | O8 | C31 | 179.5° | 180.0° |
| C33 | C32 | C31 | C30 | 0.3° | 0.0° |
| C33 | C32 | O8 | C35 | 146.7° | 0.0° |
| C33 | C32 | C31 | CL1 | 179.9° | 180.0° |
| C32 | C33 | C34 | H35 | 179.8° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.1° |
| C29 | C30 | C31 | H33 | 180.0° | 179.9° |
| C29 | C30 | C31 | CL1 | 180.0° | 180.0° |
| C30 | C29 | C28 | H29 | 10.7° | 30.0° |
| C30 | C29 | C28 | H30 | 108.0° | 150.0° |
| C30 | C29 | C34 | H35 | 180.0° | 180.0° |
| O8 | C32 | C31 | C30 | 179.8° | 180.0° |
| O8 | C32 | C31 | CL1 | 0.3° | 0.0° |
| O8 | C32 | C33 | H34 | 0.1° | 0.0° |
| C32 | O8 | C35 | H36 | 180.0° | 60.0° |
| C32 | O8 | C35 | H37 | 60.0° | 180.0° |
| C32 | O8 | C35 | H38 | 60.0° | 60.0° |
| C32 | C31 | C30 | CL1 | 179.9° | 179.9° |
| C31 | C32 | O8 | C35 | 33.7° | 180.0° |
| C32 | C31 | C30 | H33 | 179.9° | 180.0° |
| C31 | C32 | C33 | H34 | 179.7° | 180.0° |
| O8 | C35 | H36 | H37 | 120.0° | 120.0° |
| O8 | C35 | H36 | H38 | 120.0° | 120.0° |
| O8 | C35 | H37 | H38 | 120.0° | 120.0° |
| CL1 | C31 | C30 | H33 | 0.0° | 0.1° |
| H1 | N1 | C3 | H31 | 119.5° | 139.5° |
| H1 | N1 | C3 | H32 | 0.2° | 99.9° |
| H2 | C2 | C3 | H31 | 130.8° | 78.3° |
| H2 | C2 | C3 | H32 | 109.4° | 42.3° |
| H2 | C2 | C49 | H39 | 65.1° | 172.4° |
| H2 | C2 | C49 | H40 | 174.9° | 52.5° |
| H2 | C2 | C49 | H41 | 54.9° | 67.5° |
| H3 | C5 | N2 | H4 | 48.5° | 28.3° |
| H3 | C5 | C28 | H29 | 177.7° | 71.7° |
| H3 | C5 | C28 | H30 | 59.0° | 168.3° |
| H5 | C7 | C8 | H6 | 178.5° | 179.7° |
| H6 | C8 | C9 | H42 | 168.9° | 49.4° |
| H6 | C8 | C9 | H43 | 73.4° | 169.3° |
| H7 | C10 | C18 | H18 | 162.3° | 179.9° |
| H7 | C10 | C9 | H42 | 155.5° | 43.6° |
| H7 | C10 | C9 | H43 | 86.8° | 163.5° |
| H8 | C12 | C14 | H9 | 121.2° | 65.8° |
| H8 | C12 | C14 | H10 | 119.3° | 174.2° |
| H9 | C14 | C15 | H11 | 105.5° | 174.1° |
| H10 | C14 | C15 | H11 | 14.0° | 66.0° |
| H11 | C15 | C16 | H12 | 64.0° | 178.5° |
| H11 | C15 | C16 | H13 | 56.0° | 58.4° |
| H11 | C15 | C16 | H14 | 175.9° | 61.6° |
| H11 | C15 | C17 | H15 | 64.1° | 60.0° |
| H11 | C15 | C17 | H16 | 175.9° | 60.0° |
| H11 | C15 | C17 | H17 | 55.9° | 180.0° |
| H12 | C16 | H13 | H14 | 120.0° | 120.0° |
| H15 | C17 | H16 | H17 | 119.9° | 120.0° |
| H18 | C18 | C19 | H19 | 65.1° | 60.0° |
| H18 | C18 | C19 | H20 | 54.9° | 60.0° |
| H18 | C18 | C19 | H21 | 174.8° | 180.0° |
| H18 | C18 | C20 | H22 | 175.1° | 90.6° |
| H19 | C19 | H20 | H21 | 120.0° | 120.0° |
| H22 | C20 | C21 | H23 | 146.6° | 146.3° |
| H24 | C23 | C24 | H25 | 0.1° | 0.0° |
| H25 | C24 | C25 | H26 | 0.0° | 0.0° |
| H26 | C25 | C26 | H27 | 0.2° | 0.0° |
| H27 | C26 | C27 | H28 | 0.0° | 0.2° |
| H34 | C33 | C34 | H35 | 0.2° | 0.3° |
| H36 | C35 | H37 | H38 | 119.9° | 120.0° |
| H39 | C49 | H40 | H41 | 120.0° | 120.1° |
