49W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C7 | sing | 1.53Å | 1.51Å | |
| C12 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | N4 | sing | 1.47Å | 1.47Å | |
| C7 | C3 | sing | 1.51Å | 1.58Å | |
| N4 | C9 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | N5 | sing | 1.32Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| O2 | C10 | sing | 1.43Å | 1.39Å | |
| N5 | C1 | doub | 1.32Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.53Å | 1.50Å | |
| C11 | N1 | sing | 1.46Å | 1.45Å | |
| C14 | C19 | sing | 1.51Å | 1.55Å | |
| N1 | C15 | sing | 1.35Å | 1.46Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | O3 | doub | 1.22Å | 1.24Å | |
| C15 | C25 | sing | 1.48Å | 1.57Å | |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.34Å | 1.41Å | |
| C31 | C32 | sing | 1.47Å | 1.38Å | |
| C30 | N2 | sing | 1.39Å | 1.37Å | |
| C32 | C29 | doub | 1.33Å | 1.37Å | |
| C24 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| N2 | C27 | sing | 1.40Å | 1.42Å | |
| N2 | C47 | sing | 1.47Å | 1.37Å | |
| C27 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C47 | sing | 1.50Å | 1.41Å | |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C28 | sing | 1.48Å | 1.56Å | |
| O6 | C28 | doub | 1.22Å | 1.22Å | |
| C28 | N3 | sing | 1.35Å | 1.47Å | |
| N3 | C36 | sing | 1.46Å | 1.47Å | |
| N3 | C33 | sing | 1.47Å | 1.47Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C30 | H3 | sing | 1.08Å | 1.08Å | |
| C31 | H4 | sing | 1.08Å | 1.08Å | |
| C32 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.08Å | 1.08Å | |
| C47 | H7 | sing | 1.09Å | 1.10Å | |
| C47 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C33 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C16 | H30 | sing | 1.08Å | 1.08Å | |
| C17 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | H32 | sing | 1.08Å | 1.08Å | |
| C10 | H33 | sing | 1.09Å | 1.10Å | |
| O2 | H34 | sing | 0.97Å | 0.95Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| N4 | H37 | sing | 1.01Å | 1.00Å | |
| C12 | H39 | sing | 1.09Å | 1.10Å | |
| C12 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.09Å | 1.10Å | |
| C13 | H42 | sing | 1.09Å | 1.10Å | |
| C13 | H43 | sing | 1.09Å | 1.10Å | |
| C13 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.08Å | 1.08Å | |
| C6 | H46 | sing | 1.08Å | 1.08Å | |
| C5 | H47 | sing | 1.08Å | 1.08Å | |
| C4 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C7 | C12 | 109.3° | 109.4° |
| C13 | C7 | N4 | 109.5° | 109.5° |
| C13 | C7 | C3 | 109.1° | 109.5° |
| C7 | C13 | H42 | 109.5° | 109.5° |
| C7 | C13 | H43 | 109.5° | 109.5° |
| C7 | C13 | H44 | 109.5° | 109.5° |
| C12 | C7 | N4 | 109.2° | 109.5° |
| C12 | C7 | C3 | 109.0° | 109.5° |
| C7 | C12 | H39 | 109.5° | 109.5° |
| C7 | C12 | H40 | 109.5° | 109.5° |
| C7 | C12 | H41 | 109.5° | 109.4° |
| N4 | C7 | C3 | 110.7° | 109.5° |
| C7 | N4 | C9 | 110.0° | 111.0° |
| C7 | N4 | H37 | 109.3° | 111.0° |
| C7 | C3 | C4 | 119.5° | 119.6° |
| C7 | C3 | N5 | 120.5° | 119.6° |
| N4 | C9 | C10 | 109.6° | 109.5° |
| N4 | C9 | H35 | 109.5° | 109.5° |
| N4 | C9 | H36 | 109.5° | 109.4° |
| C9 | N4 | H37 | 109.3° | 111.0° |
| C4 | C3 | N5 | 120.0° | 120.8° |
| C3 | C4 | C5 | 119.8° | 119.2° |
| C3 | C4 | H48 | 120.1° | 120.4° |
| C3 | N5 | C1 | 119.9° | 121.7° |
| C4 | C5 | C6 | 120.2° | 118.4° |
| C4 | C5 | H47 | 119.9° | 120.8° |
| C5 | C4 | H48 | 120.1° | 120.4° |
| O2 | C10 | C9 | 109.8° | 109.5° |
| O2 | C10 | C11 | 110.2° | 109.5° |
| O2 | C10 | H33 | 110.3° | 109.5° |
| C10 | O2 | H34 | 109.5° | 114.0° |
| N5 | C1 | C6 | 119.9° | 120.8° |
| N5 | C1 | H45 | 120.1° | 119.6° |
| C9 | C10 | C11 | 109.4° | 109.5° |
| C9 | C10 | H33 | 108.8° | 109.5° |
| C10 | C9 | H35 | 109.4° | 109.5° |
| C10 | C9 | H36 | 109.4° | 109.4° |
| C5 | C6 | C1 | 120.2° | 119.1° |
| C5 | C6 | H46 | 119.9° | 120.4° |
| C6 | C5 | H47 | 119.9° | 120.8° |
| C10 | C11 | C14 | 111.0° | 109.5° |
| C10 | C11 | N1 | 111.7° | 109.5° |
| C10 | C11 | H25 | 107.8° | 109.5° |
| C11 | C10 | H33 | 108.4° | 109.5° |
| C6 | C1 | H45 | 120.1° | 119.6° |
| C1 | C6 | H46 | 119.9° | 120.4° |
| C14 | C11 | N1 | 109.2° | 109.5° |
| C11 | C14 | C19 | 106.1° | 109.5° |
| C14 | C11 | H25 | 108.2° | 109.5° |
| C11 | C14 | H26 | 110.3° | 109.4° |
| C11 | C14 | H27 | 110.3° | 109.5° |
| C11 | N1 | C15 | 118.6° | 120.0° |
| C11 | N1 | H24 | 120.7° | 120.0° |
| N1 | C11 | H25 | 108.9° | 109.5° |
| C14 | C19 | C20 | 120.5° | 120.0° |
| C14 | C19 | C18 | 119.6° | 120.0° |
| C19 | C14 | H26 | 110.3° | 109.4° |
| C19 | C14 | H27 | 110.3° | 109.5° |
| N1 | C15 | O3 | 120.2° | 119.9° |
| N1 | C15 | C25 | 121.1° | 120.0° |
| C15 | N1 | H24 | 120.7° | 119.9° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C19 | C20 | H28 | 119.9° | 120.1° |
| C19 | C18 | C17 | 119.6° | 120.0° |
| C19 | C18 | H32 | 120.2° | 120.0° |
| O3 | C15 | C25 | 118.7° | 120.0° |
| C15 | C25 | C26 | 119.3° | 120.0° |
| C15 | C25 | C24 | 120.7° | 120.0° |
| C20 | C21 | C16 | 119.6° | 120.0° |
| C21 | C20 | H28 | 119.9° | 120.0° |
| C20 | C21 | H29 | 120.2° | 120.1° |
| C18 | C17 | C16 | 120.7° | 120.0° |
| C18 | C17 | H31 | 119.7° | 120.0° |
| C17 | C18 | H32 | 120.2° | 120.1° |
| C26 | C25 | C24 | 120.0° | 120.0° |
| C25 | C26 | C27 | 120.3° | 120.1° |
| C25 | C26 | H2 | 119.9° | 120.0° |
| C25 | C24 | C23 | 119.9° | 119.8° |
| C25 | C24 | H1 | 120.1° | 120.1° |
| C26 | C27 | N2 | 118.4° | 119.9° |
| C26 | C27 | C22 | 120.2° | 120.2° |
| C27 | C26 | H2 | 119.9° | 120.0° |
| C30 | C31 | C32 | 120.0° | 119.4° |
| C31 | C30 | N2 | 119.7° | 118.6° |
| C31 | C30 | H3 | 120.2° | 120.7° |
| C30 | C31 | H4 | 120.0° | 120.3° |
| C31 | C32 | C29 | 120.1° | 120.0° |
| C32 | C31 | H4 | 120.0° | 120.3° |
| C31 | C32 | H5 | 119.9° | 120.0° |
| C30 | N2 | C27 | 120.4° | 120.7° |
| C30 | N2 | C47 | 120.3° | 118.6° |
| N2 | C30 | H3 | 120.2° | 120.7° |
| C32 | C29 | C47 | 119.8° | 119.9° |
| C29 | C32 | H5 | 119.9° | 120.0° |
| C32 | C29 | H6 | 120.1° | 120.1° |
| C24 | C23 | C22 | 120.2° | 120.0° |
| C24 | C23 | C28 | 119.6° | 120.0° |
| C23 | C24 | H1 | 120.1° | 120.1° |
| C27 | N2 | C47 | 119.3° | 120.7° |
| N2 | C27 | C22 | 121.3° | 119.9° |
| N2 | C47 | C29 | 120.1° | 109.2° |
| N2 | C47 | H7 | 106.7° | 109.5° |
| N2 | C47 | H8 | 106.8° | 109.5° |
| C27 | C22 | C23 | 119.4° | 120.0° |
| C27 | C22 | H9 | 120.3° | 120.0° |
| C21 | C16 | C17 | 120.0° | 120.0° |
| C16 | C21 | H29 | 120.1° | 120.0° |
| C21 | C16 | H30 | 120.1° | 120.0° |
| C47 | C29 | H6 | 120.1° | 120.0° |
| C29 | C47 | H7 | 106.8° | 109.6° |
| C29 | C47 | H8 | 106.7° | 109.4° |
| C17 | C16 | H30 | 120.0° | 120.0° |
| C16 | C17 | H31 | 119.6° | 120.0° |
| C22 | C23 | C28 | 120.2° | 120.0° |
| C23 | C22 | H9 | 120.3° | 120.0° |
| C23 | C28 | O6 | 119.8° | 120.0° |
| C23 | C28 | N3 | 120.0° | 120.0° |
| O6 | C28 | N3 | 120.2° | 120.0° |
| C28 | N3 | C36 | 119.5° | 120.1° |
| C28 | N3 | C33 | 120.9° | 119.9° |
| C36 | N3 | C33 | 119.6° | 120.0° |
| N3 | C36 | C37 | 109.1° | 109.5° |
| N3 | C36 | H17 | 109.6° | 109.5° |
| N3 | C36 | H18 | 109.5° | 109.5° |
| N3 | C33 | C34 | 109.4° | 109.5° |
| N3 | C33 | H10 | 109.5° | 109.4° |
| N3 | C33 | H11 | 109.5° | 109.5° |
| C36 | C37 | C38 | 108.3° | 109.5° |
| C37 | C36 | H17 | 109.6° | 109.4° |
| C37 | C36 | H18 | 109.6° | 109.5° |
| C36 | C37 | H19 | 109.8° | 109.4° |
| C36 | C37 | H20 | 109.8° | 109.5° |
| C38 | C37 | H19 | 109.8° | 109.5° |
| C38 | C37 | H20 | 109.8° | 109.5° |
| C37 | C38 | H21 | 109.5° | 109.5° |
| C37 | C38 | H22 | 109.5° | 109.5° |
| C37 | C38 | H23 | 109.5° | 109.5° |
| C33 | C34 | C35 | 110.0° | 109.5° |
| C34 | C33 | H10 | 109.5° | 109.4° |
| C34 | C33 | H11 | 109.5° | 109.5° |
| C33 | C34 | H12 | 109.3° | 109.4° |
| C33 | C34 | H13 | 109.3° | 109.5° |
| C35 | C34 | H12 | 109.3° | 109.5° |
| C35 | C34 | H13 | 109.3° | 109.5° |
| C34 | C35 | H14 | 109.5° | 109.4° |
| C34 | C35 | H15 | 109.5° | 109.5° |
| C34 | C35 | H16 | 109.5° | 109.4° |
| H7 | C47 | H8 | 109.5° | 109.7° |
| H10 | C33 | H11 | 109.5° | 109.5° |
| H12 | C34 | H13 | 109.5° | 109.5° |
| H14 | C35 | H15 | 109.4° | 109.5° |
| H14 | C35 | H16 | 109.5° | 109.5° |
| H15 | C35 | H16 | 109.5° | 109.5° |
| H17 | C36 | H18 | 109.5° | 109.4° |
| H19 | C37 | H20 | 109.5° | 109.5° |
| H21 | C38 | H22 | 109.5° | 109.5° |
| H21 | C38 | H23 | 109.5° | 109.4° |
| H22 | C38 | H23 | 109.4° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.5° |
| H35 | C9 | H36 | 109.5° | 109.5° |
| H39 | C12 | H40 | 109.5° | 109.5° |
| H39 | C12 | H41 | 109.5° | 109.5° |
| H40 | C12 | H41 | 109.4° | 109.5° |
| H42 | C13 | H43 | 109.5° | 109.4° |
| H42 | C13 | H44 | 109.5° | 109.5° |
| H43 | C13 | H44 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C7 | C12 | N4 | 119.8° | 120.0° |
| C13 | C7 | C12 | C3 | 119.2° | 120.0° |
| C13 | C7 | N4 | C3 | 120.3° | 120.1° |
| C13 | C7 | N4 | C9 | 175.0° | 60.0° |
| C13 | C7 | C3 | C4 | 100.2° | 60.0° |
| C13 | C7 | C3 | N5 | 79.5° | 120.3° |
| C13 | C7 | N4 | H37 | 54.9° | 176.1° |
| C13 | C7 | C12 | H39 | 180.0° | 60.0° |
| C13 | C7 | C12 | H40 | 60.0° | 60.0° |
| C13 | C7 | C12 | H41 | 60.0° | 179.9° |
| C7 | C13 | H42 | H43 | 120.0° | 120.0° |
| C7 | C13 | H42 | H44 | 120.0° | 120.1° |
| C7 | C13 | H43 | H44 | 120.0° | 120.1° |
| C12 | C7 | N4 | C3 | 120.0° | 120.0° |
| C12 | C7 | N4 | C9 | 65.4° | 60.0° |
| C12 | C7 | C3 | C4 | 19.1° | 60.0° |
| C12 | C7 | C3 | N5 | 161.3° | 119.8° |
| C12 | C7 | N4 | H37 | 174.5° | 64.0° |
| C7 | C12 | H39 | H40 | 120.0° | 120.0° |
| C7 | C12 | H39 | H41 | 120.0° | 119.9° |
| C7 | C12 | H40 | H41 | 120.0° | 120.0° |
| C12 | C7 | C13 | H42 | 180.0° | 180.0° |
| C12 | C7 | C13 | H43 | 60.0° | 60.0° |
| C12 | C7 | C13 | H44 | 60.0° | 60.0° |
| C7 | N4 | C9 | H37 | 120.1° | 124.0° |
| N4 | C7 | C3 | C4 | 139.2° | 180.0° |
| N4 | C7 | C3 | N5 | 41.1° | 0.2° |
| C7 | N4 | C9 | C10 | 134.1° | 180.0° |
| C7 | N4 | C9 | H35 | 14.1° | 60.0° |
| C7 | N4 | C9 | H36 | 105.9° | 60.0° |
| N4 | C7 | C12 | H39 | 60.2° | 60.0° |
| N4 | C7 | C12 | H40 | 59.8° | 180.0° |
| N4 | C7 | C12 | H41 | 179.8° | 60.0° |
| N4 | C7 | C13 | H42 | 60.5° | 60.1° |
| N4 | C7 | C13 | H43 | 179.5° | 180.0° |
| N4 | C7 | C13 | H44 | 59.5° | 60.0° |
| C3 | C7 | N4 | C9 | 54.6° | 179.9° |
| C7 | C3 | C4 | N5 | 179.6° | 179.8° |
| C7 | C3 | C4 | C5 | 179.8° | 179.7° |
| C7 | C3 | N5 | C1 | 179.9° | 180.0° |
| C3 | C7 | N4 | H37 | 65.4° | 56.0° |
| C3 | C7 | C12 | H39 | 60.9° | 180.0° |
| C3 | C7 | C12 | H40 | 179.1° | 60.0° |
| C3 | C7 | C12 | H41 | 59.2° | 60.0° |
| C3 | C7 | C13 | H42 | 60.9° | 60.0° |
| C3 | C7 | C13 | H43 | 59.1° | 60.0° |
| C3 | C7 | C13 | H44 | 179.1° | 180.0° |
| C7 | C3 | C4 | H48 | 0.2° | 0.1° |
| N4 | C9 | C10 | O2 | 25.8° | 60.0° |
| N4 | C9 | C10 | H35 | 120.0° | 120.1° |
| N4 | C9 | C10 | H36 | 120.0° | 119.9° |
| N4 | C9 | C10 | C11 | 146.9° | 180.0° |
| N4 | C9 | C10 | H33 | 95.0° | 60.0° |
| N4 | C9 | H35 | H36 | 120.0° | 120.0° |
| C3 | C4 | C5 | H48 | 180.0° | 179.7° |
| C4 | C3 | N5 | C1 | 0.4° | 0.2° |
| C3 | C4 | C5 | C6 | 0.0° | 0.5° |
| C3 | C4 | C5 | H47 | 180.0° | 179.8° |
| N5 | C3 | C4 | C5 | 0.2° | 0.5° |
| C3 | N5 | C1 | C6 | 0.5° | 0.1° |
| C3 | N5 | C1 | H45 | 179.5° | 180.0° |
| N5 | C3 | C4 | H48 | 179.9° | 179.7° |
| C4 | C5 | C6 | H47 | 180.0° | 179.7° |
| C4 | C5 | C6 | C1 | 0.0° | 0.2° |
| C4 | C5 | C6 | H46 | 179.9° | 179.7° |
| O2 | C10 | C9 | C11 | 121.0° | 120.0° |
| O2 | C10 | C9 | H33 | 120.8° | 120.0° |
| O2 | C10 | C11 | H33 | 120.8° | 120.0° |
| O2 | C10 | C11 | C14 | 28.4° | 58.2° |
| O2 | C10 | C11 | N1 | 93.7° | 61.9° |
| O2 | C10 | C11 | H25 | 146.7° | 178.1° |
| O2 | C10 | C9 | H35 | 145.9° | 60.0° |
| O2 | C10 | C9 | H36 | 94.2° | 180.0° |
| N5 | C1 | C6 | C5 | 0.3° | 0.0° |
| N5 | C1 | C6 | H45 | 180.0° | 179.9° |
| N5 | C1 | C6 | H46 | 179.7° | 180.0° |
| C9 | C10 | C11 | H33 | 118.4° | 120.1° |
| C9 | C10 | C11 | C14 | 149.2° | 178.1° |
| C9 | C10 | C11 | N1 | 27.1° | 58.1° |
| C9 | C10 | C11 | H25 | 92.4° | 61.9° |
| C9 | C10 | O2 | H34 | 180.0° | 54.7° |
| C10 | C9 | H35 | H36 | 119.9° | 120.0° |
| C10 | C9 | N4 | H37 | 105.8° | 56.1° |
| C5 | C6 | C1 | H46 | 180.0° | 180.0° |
| C5 | C6 | C1 | H45 | 179.7° | 180.0° |
| C6 | C5 | C4 | H48 | 179.9° | 179.7° |
| C10 | C11 | C14 | N1 | 123.5° | 120.0° |
| C10 | C11 | C14 | H25 | 118.1° | 120.0° |
| C10 | C11 | N1 | H25 | 118.9° | 120.0° |
| C10 | C11 | C14 | C19 | 179.6° | 175.0° |
| C10 | C11 | N1 | C15 | 126.4° | 146.5° |
| C10 | C11 | N1 | H24 | 53.6° | 33.5° |
| C10 | C11 | C14 | H26 | 61.0° | 65.1° |
| C10 | C11 | C14 | H27 | 60.1° | 55.0° |
| C11 | C10 | O2 | H34 | 59.5° | 65.3° |
| C11 | C10 | C9 | H35 | 93.1° | 59.9° |
| C11 | C10 | C9 | H36 | 26.9° | 60.1° |
| C1 | C6 | C5 | H47 | 179.9° | 179.9° |
| C14 | C11 | N1 | H25 | 117.9° | 120.0° |
| C11 | C14 | C19 | H26 | 119.4° | 119.9° |
| C11 | C14 | C19 | H27 | 119.5° | 120.1° |
| C14 | C11 | N1 | C15 | 110.5° | 93.5° |
| C11 | C14 | C19 | C20 | 103.4° | 90.0° |
| C11 | C14 | C19 | C18 | 75.4° | 90.3° |
| C14 | C11 | N1 | H24 | 69.5° | 86.5° |
| C11 | C14 | H26 | H27 | 121.6° | 120.1° |
| C14 | C11 | C10 | H33 | 92.4° | 61.8° |
| N1 | C11 | C14 | C19 | 56.9° | 65.0° |
| C11 | N1 | C15 | H24 | 180.0° | 180.0° |
| C11 | N1 | C15 | O3 | 0.7° | 5.5° |
| C11 | N1 | C15 | C25 | 179.6° | 174.8° |
| N1 | C11 | C14 | H26 | 62.6° | 54.9° |
| N1 | C11 | C14 | H27 | 176.3° | 175.0° |
| N1 | C11 | C10 | H33 | 145.6° | 178.1° |
| C14 | C19 | C20 | C18 | 178.8° | 179.7° |
| C14 | C19 | C20 | C21 | 179.4° | 180.0° |
| C14 | C19 | C18 | C17 | 179.3° | 179.7° |
| C19 | C14 | C11 | H25 | 61.5° | 55.0° |
| C19 | C14 | H26 | H27 | 121.6° | 120.0° |
| C14 | C19 | C20 | H28 | 0.6° | 0.0° |
| C14 | C19 | C18 | H32 | 0.7° | 0.0° |
| N1 | C15 | O3 | C25 | 179.7° | 179.8° |
| N1 | C15 | C25 | C26 | 107.8° | 175.0° |
| N1 | C15 | C25 | C24 | 72.9° | 4.7° |
| C15 | N1 | C11 | H25 | 7.4° | 26.5° |
| C19 | C20 | C21 | H28 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.5° | 0.5° |
| C19 | C20 | C21 | C16 | 0.2° | 0.0° |
| C20 | C19 | C14 | H26 | 16.0° | 30.0° |
| C20 | C19 | C14 | H27 | 137.1° | 150.0° |
| C19 | C20 | C21 | H29 | 179.9° | 179.9° |
| C20 | C19 | C18 | H32 | 179.5° | 179.7° |
| C18 | C19 | C20 | C21 | 0.6° | 0.3° |
| C19 | C18 | C17 | H32 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.0° | 0.5° |
| C18 | C19 | C14 | H26 | 165.2° | 149.8° |
| C18 | C19 | C14 | H27 | 44.1° | 29.7° |
| C18 | C19 | C20 | H28 | 179.4° | 179.7° |
| C19 | C18 | C17 | H31 | 180.0° | 179.7° |
| O3 | C15 | C25 | C26 | 71.9° | 5.2° |
| O3 | C15 | C25 | C24 | 107.4° | 175.0° |
| O3 | C15 | N1 | H24 | 179.3° | 174.5° |
| C15 | C25 | C26 | C24 | 179.3° | 179.8° |
| C15 | C25 | C26 | C27 | 179.5° | 180.0° |
| C15 | C25 | C24 | C23 | 179.5° | 180.0° |
| C15 | C25 | C24 | H1 | 0.4° | 0.0° |
| C15 | C25 | C26 | H2 | 0.5° | 0.1° |
| C25 | C15 | N1 | H24 | 0.4° | 5.2° |
| C20 | C21 | C16 | H29 | 180.0° | 179.9° |
| C20 | C21 | C16 | C17 | 0.3° | 0.0° |
| C20 | C21 | C16 | H30 | 179.6° | 180.0° |
| C18 | C17 | C16 | C21 | 0.4° | 0.2° |
| C18 | C17 | C16 | H31 | 180.0° | 179.8° |
| C18 | C17 | C16 | H30 | 179.6° | 179.7° |
| C25 | C26 | C27 | H2 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.2° | 0.3° |
| C25 | C26 | C27 | N2 | 179.7° | 180.0° |
| C25 | C26 | C27 | C22 | 0.2° | 0.0° |
| C26 | C25 | C24 | H1 | 179.8° | 179.8° |
| C24 | C25 | C26 | C27 | 0.1° | 0.3° |
| C25 | C24 | C23 | H1 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.0° |
| C25 | C24 | C23 | C28 | 179.9° | 179.9° |
| C24 | C25 | C26 | H2 | 179.8° | 179.7° |
| C26 | C27 | N2 | C30 | 136.6° | 56.8° |
| C26 | C27 | N2 | C22 | 179.5° | 180.0° |
| C26 | C27 | N2 | C47 | 42.4° | 122.9° |
| C26 | C27 | C22 | C23 | 0.4° | 0.3° |
| C26 | C27 | C22 | H9 | 179.6° | 180.0° |
| C30 | C31 | C32 | H4 | 180.0° | 179.9° |
| C31 | C30 | N2 | H3 | 180.0° | 180.0° |
| C30 | C31 | C32 | C29 | 0.1° | 16.0° |
| C31 | C30 | N2 | C27 | 179.6° | 148.5° |
| C31 | C30 | N2 | C47 | 0.5° | 31.3° |
| C30 | C31 | C32 | H5 | 179.9° | 164.1° |
| C32 | C31 | C30 | N2 | 0.2° | 0.2° |
| C31 | C32 | C29 | H5 | 180.0° | 180.0° |
| C31 | C32 | C29 | C47 | 0.1° | 0.1° |
| C32 | C31 | C30 | H3 | 179.8° | 179.8° |
| C31 | C32 | C29 | H6 | 179.9° | 179.7° |
| C30 | N2 | C27 | C47 | 179.0° | 179.7° |
| C30 | N2 | C27 | C22 | 42.9° | 123.2° |
| C30 | N2 | C47 | C29 | 0.6° | 43.8° |
| N2 | C30 | C31 | H4 | 179.8° | 179.7° |
| C30 | N2 | C47 | H7 | 122.1° | 163.8° |
| C30 | N2 | C47 | H8 | 120.9° | 76.0° |
| C32 | C29 | C47 | N2 | 0.3° | 27.7° |
| C32 | C29 | C47 | H6 | 180.0° | 179.7° |
| C29 | C32 | C31 | H4 | 179.9° | 164.0° |
| C32 | C29 | C47 | H7 | 121.8° | 147.6° |
| C32 | C29 | C47 | H8 | 121.3° | 92.1° |
| C24 | C23 | C22 | C27 | 0.3° | 0.3° |
| C24 | C23 | C22 | C28 | 179.9° | 179.9° |
| C24 | C23 | C28 | O6 | 97.8° | 45.7° |
| C24 | C23 | C28 | N3 | 81.9° | 134.3° |
| C24 | C23 | C22 | H9 | 179.7° | 180.0° |
| C27 | N2 | C47 | C29 | 179.6° | 135.9° |
| N2 | C27 | C22 | C23 | 179.9° | 179.7° |
| N2 | C27 | C26 | H2 | 0.4° | 0.1° |
| C27 | N2 | C30 | H3 | 0.5° | 31.6° |
| C27 | N2 | C47 | H7 | 58.9° | 15.9° |
| C27 | N2 | C47 | H8 | 58.1° | 104.3° |
| N2 | C27 | C22 | H9 | 0.1° | 0.0° |
| C47 | N2 | C27 | C22 | 138.1° | 57.1° |
| N2 | C47 | C29 | H7 | 121.5° | 119.9° |
| N2 | C47 | C29 | H8 | 121.5° | 119.8° |
| C47 | N2 | C30 | H3 | 179.5° | 148.7° |
| N2 | C47 | C29 | H6 | 179.8° | 152.0° |
| N2 | C47 | H7 | H8 | 115.2° | 120.2° |
| C27 | C22 | C23 | H9 | 180.0° | 179.7° |
| C27 | C22 | C23 | C28 | 179.8° | 179.8° |
| C22 | C27 | C26 | H2 | 179.8° | 180.0° |
| C21 | C16 | C17 | H30 | 180.0° | 180.0° |
| C16 | C21 | C20 | H28 | 179.8° | 180.0° |
| C21 | C16 | C17 | H31 | 179.6° | 180.0° |
| C47 | C29 | C32 | H5 | 179.9° | 179.9° |
| C29 | C47 | H7 | H8 | 115.2° | 120.0° |
| C17 | C16 | C21 | H29 | 179.6° | 180.0° |
| C16 | C17 | C18 | H32 | 180.0° | 179.8° |
| C22 | C23 | C28 | O6 | 82.1° | 134.2° |
| C22 | C23 | C28 | N3 | 98.2° | 45.8° |
| C22 | C23 | C24 | H1 | 180.0° | 179.9° |
| C23 | C28 | O6 | N3 | 179.8° | 180.0° |
| C23 | C28 | N3 | C36 | 0.3° | 173.5° |
| C23 | C28 | N3 | C33 | 179.9° | 6.5° |
| C28 | C23 | C24 | H1 | 0.1° | 0.0° |
| C28 | C23 | C22 | H9 | 0.2° | 0.1° |
| O6 | C28 | N3 | C36 | 179.9° | 6.5° |
| O6 | C28 | N3 | C33 | 0.1° | 173.5° |
| C28 | N3 | C36 | C33 | 179.8° | 180.0° |
| C28 | N3 | C36 | C37 | 97.6° | 90.0° |
| C28 | N3 | C33 | C34 | 128.4° | 98.3° |
| C28 | N3 | C33 | H10 | 8.4° | 141.8° |
| C28 | N3 | C33 | H11 | 111.6° | 21.8° |
| C28 | N3 | C36 | H17 | 22.3° | 150.0° |
| C28 | N3 | C36 | H18 | 142.4° | 30.0° |
| N3 | C36 | C37 | H17 | 120.0° | 120.0° |
| N3 | C36 | C37 | H18 | 119.9° | 120.0° |
| N3 | C36 | C37 | C38 | 149.1° | 180.0° |
| C36 | N3 | C33 | C34 | 51.4° | 81.7° |
| C36 | N3 | C33 | H10 | 171.4° | 38.2° |
| C36 | N3 | C33 | H11 | 68.6° | 158.2° |
| N3 | C36 | H17 | H18 | 120.1° | 120.0° |
| N3 | C36 | C37 | H19 | 29.3° | 60.0° |
| N3 | C36 | C37 | H20 | 91.1° | 60.0° |
| C33 | N3 | C36 | C37 | 82.6° | 90.0° |
| N3 | C33 | C34 | H10 | 120.0° | 119.9° |
| N3 | C33 | C34 | H11 | 120.0° | 120.1° |
| N3 | C33 | C34 | C35 | 147.6° | 173.8° |
| N3 | C33 | H10 | H11 | 120.0° | 120.0° |
| N3 | C33 | C34 | H12 | 27.6° | 53.9° |
| N3 | C33 | C34 | H13 | 92.3° | 66.1° |
| C33 | N3 | C36 | H17 | 157.4° | 30.0° |
| C33 | N3 | C36 | H18 | 37.4° | 150.0° |
| C36 | C37 | C38 | H19 | 119.8° | 120.0° |
| C36 | C37 | C38 | H20 | 119.8° | 120.0° |
| C37 | C36 | H17 | H18 | 120.2° | 119.9° |
| C36 | C37 | H19 | H20 | 120.6° | 120.0° |
| C36 | C37 | C38 | H21 | 180.0° | 60.0° |
| C36 | C37 | C38 | H22 | 60.0° | 60.0° |
| C36 | C37 | C38 | H23 | 60.0° | 180.0° |
| C38 | C37 | C36 | H17 | 90.9° | 60.0° |
| C38 | C37 | C36 | H18 | 29.2° | 60.0° |
| C38 | C37 | H19 | H20 | 120.5° | 120.0° |
| C37 | C38 | H21 | H22 | 120.0° | 120.0° |
| C37 | C38 | H21 | H23 | 120.0° | 120.0° |
| C37 | C38 | H22 | H23 | 120.0° | 120.0° |
| C33 | C34 | C35 | H12 | 120.1° | 119.9° |
| C33 | C34 | C35 | H13 | 120.1° | 120.0° |
| C34 | C33 | H10 | H11 | 120.0° | 120.0° |
| C33 | C34 | H12 | H13 | 119.7° | 120.0° |
| C33 | C34 | C35 | H14 | 180.0° | 55.2° |
| C33 | C34 | C35 | H15 | 60.0° | 64.8° |
| C33 | C34 | C35 | H16 | 60.0° | 175.1° |
| C35 | C34 | C33 | H10 | 92.4° | 66.2° |
| C35 | C34 | C33 | H11 | 27.6° | 53.8° |
| C35 | C34 | H12 | H13 | 119.8° | 120.0° |
| C34 | C35 | H14 | H15 | 120.0° | 120.0° |
| C34 | C35 | H14 | H16 | 120.0° | 119.9° |
| C34 | C35 | H15 | H16 | 120.0° | 120.0° |
| H3 | C30 | C31 | H4 | 0.2° | 0.2° |
| H4 | C31 | C32 | H5 | 0.1° | 16.0° |
| H5 | C32 | C29 | H6 | 0.1° | 0.4° |
| H6 | C29 | C47 | H7 | 58.3° | 32.1° |
| H6 | C29 | C47 | H8 | 58.7° | 88.1° |
| H10 | C33 | C34 | H12 | 147.5° | 173.8° |
| H10 | C33 | C34 | H13 | 27.7° | 53.8° |
| H11 | C33 | C34 | H12 | 92.4° | 66.2° |
| H11 | C33 | C34 | H13 | 147.7° | 173.8° |
| H12 | C34 | C35 | H14 | 59.9° | 175.1° |
| H12 | C34 | C35 | H15 | 179.9° | 55.1° |
| H12 | C34 | C35 | H16 | 60.1° | 64.9° |
| H13 | C34 | C35 | H14 | 59.9° | 64.9° |
| H13 | C34 | C35 | H15 | 60.1° | 175.1° |
| H13 | C34 | C35 | H16 | 179.9° | 55.1° |
| H14 | C35 | H15 | H16 | 120.0° | 120.0° |
| H17 | C36 | C37 | H19 | 149.3° | 180.0° |
| H17 | C36 | C37 | H20 | 28.9° | 60.0° |
| H18 | C36 | C37 | H19 | 90.6° | 60.1° |
| H18 | C36 | C37 | H20 | 149.0° | 180.0° |
| H19 | C37 | C38 | H21 | 60.2° | 180.0° |
| H19 | C37 | C38 | H22 | 179.8° | 60.0° |
| H19 | C37 | C38 | H23 | 59.8° | 60.0° |
| H20 | C37 | C38 | H21 | 60.2° | 60.0° |
| H20 | C37 | C38 | H22 | 59.9° | 180.0° |
| H20 | C37 | C38 | H23 | 179.8° | 60.0° |
| H21 | C38 | H22 | H23 | 120.0° | 119.9° |
| H24 | N1 | C11 | H25 | 172.6° | 153.5° |
| H25 | C11 | C14 | H26 | 179.1° | 175.0° |
| H25 | C11 | C14 | H27 | 58.0° | 65.0° |
| H25 | C11 | C10 | H33 | 26.0° | 58.2° |
| H28 | C20 | C21 | H29 | 0.2° | 0.0° |
| H29 | C21 | C16 | H30 | 0.4° | 0.1° |
| H30 | C16 | C17 | H31 | 0.4° | 0.0° |
| H31 | C17 | C18 | H32 | 0.0° | 0.0° |
| H33 | C10 | O2 | H34 | 60.1° | 174.7° |
| H33 | C10 | C9 | H35 | 25.1° | 180.0° |
| H33 | C10 | C9 | H36 | 145.0° | 60.0° |
| H35 | C9 | N4 | H37 | 134.2° | 64.0° |
| H36 | C9 | N4 | H37 | 14.2° | 176.0° |
| H39 | C12 | H40 | H41 | 120.0° | 120.0° |
| H42 | C13 | H43 | H44 | 120.0° | 120.0° |
| H45 | C1 | C6 | H46 | 0.3° | 0.0° |
| H46 | C6 | C5 | H47 | 0.1° | 0.0° |
| H47 | C5 | C4 | H48 | 0.0° | 0.0° |
