Y9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | O6 | sing | 1.43Å | 1.41Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| O6 | C28 | sing | 1.43Å | 1.42Å | |
| C23 | C25 | sing | 1.51Å | 1.52Å | |
| C23 | N3 | sing | 1.47Å | 1.45Å | |
| N4 | C26 | sing | 1.47Å | 1.45Å | |
| N4 | C25 | sing | 1.35Å | 1.34Å | |
| C26 | C30 | sing | 1.51Å | 1.53Å | |
| C25 | O5 | doub | 1.21Å | 1.23Å | |
| O7 | C30 | doub | 1.21Å | 1.23Å | |
| N3 | C22 | sing | 1.35Å | 1.34Å | |
| C30 | N5 | sing | 1.35Å | 1.35Å | |
| C22 | O4 | doub | 1.21Å | 1.24Å | |
| C22 | C1 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| N5 | C31 | sing | 1.46Å | 1.47Å | |
| N5 | C32 | sing | 1.47Å | 1.47Å | |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C14 | sing | 1.53Å | 1.55Å | |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| C14 | C16 | sing | 1.51Å | 1.52Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| O3 | C11 | sing | 1.43Å | 1.44Å | |
| C11 | C3 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | N2 | sing | 1.47Å | 1.45Å | |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C4 | sing | 1.35Å | 1.33Å | |
| F1 | C5 | sing | 1.40Å | 1.41Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C10 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å | |
| O3 | H36 | sing | 0.97Å | 0.95Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | H38 | sing | 1.08Å | 1.08Å | |
| C19 | H39 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| N4 | H41 | sing | 0.97Å | 1.00Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.08Å | 1.08Å | |
| C35 | H53 | sing | 1.08Å | 1.08Å | |
| C36 | H54 | sing | 1.08Å | 1.08Å | |
| C37 | H55 | sing | 1.08Å | 1.08Å | |
| C38 | H56 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | O6 | C28 | 115.3° | 114.0° |
| O6 | C29 | H44 | 109.5° | 109.4° |
| O6 | C29 | H45 | 109.5° | 109.5° |
| O6 | C29 | H46 | 109.5° | 109.4° |
| C24 | C23 | C25 | 109.4° | 109.5° |
| C24 | C23 | N3 | 109.1° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.5° |
| C23 | C24 | H22 | 109.5° | 109.5° |
| C23 | C24 | H23 | 109.4° | 109.5° |
| C24 | C23 | H40 | 108.0° | 109.5° |
| C28 | C27 | C26 | 114.7° | 109.5° |
| C27 | C28 | O6 | 111.0° | 109.5° |
| C27 | C28 | H25 | 109.1° | 109.5° |
| C27 | C28 | H26 | 109.1° | 109.5° |
| C28 | C27 | H42 | 108.1° | 109.5° |
| C28 | C27 | H43 | 108.1° | 109.4° |
| C27 | C26 | N4 | 111.0° | 109.4° |
| C27 | C26 | C30 | 112.5° | 109.5° |
| C27 | C26 | H24 | 107.9° | 109.5° |
| C26 | C27 | H42 | 108.2° | 109.5° |
| C26 | C27 | H43 | 108.2° | 109.4° |
| O6 | C28 | H25 | 109.1° | 109.5° |
| O6 | C28 | H26 | 109.1° | 109.5° |
| C25 | C23 | N3 | 113.4° | 109.4° |
| C23 | C25 | N4 | 117.2° | 120.0° |
| C23 | C25 | O5 | 119.8° | 120.0° |
| C25 | C23 | H40 | 108.0° | 109.5° |
| C23 | N3 | C22 | 123.8° | 120.0° |
| C23 | N3 | H2 | 118.1° | 120.0° |
| N3 | C23 | H40 | 108.9° | 109.4° |
| C26 | N4 | C25 | 122.2° | 120.0° |
| N4 | C26 | C30 | 108.5° | 109.5° |
| N4 | C26 | H24 | 108.9° | 109.5° |
| C26 | N4 | H41 | 118.9° | 120.0° |
| N4 | C25 | O5 | 123.0° | 120.0° |
| C25 | N4 | H41 | 118.9° | 120.0° |
| C26 | C30 | O7 | 119.1° | 120.0° |
| C26 | C30 | N5 | 121.2° | 120.0° |
| C30 | C26 | H24 | 107.9° | 109.5° |
| O7 | C30 | N5 | 119.7° | 120.0° |
| N3 | C22 | O4 | 123.2° | 120.0° |
| N3 | C22 | C1 | 115.2° | 120.0° |
| C22 | N3 | H2 | 118.1° | 120.0° |
| C30 | N5 | C31 | 123.9° | 120.0° |
| C30 | N5 | C32 | 120.5° | 120.0° |
| O4 | C22 | C1 | 121.6° | 120.0° |
| C22 | C1 | C14 | 118.0° | 109.5° |
| C22 | C1 | N1 | 106.2° | 109.5° |
| C22 | C1 | H27 | 107.4° | 109.5° |
| C15 | C14 | C1 | 111.6° | 109.5° |
| C15 | C14 | C16 | 111.7° | 109.5° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.4° | 109.4° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| C15 | C14 | H37 | 107.0° | 109.5° |
| C31 | N5 | C32 | 115.6° | 120.0° |
| N5 | C31 | H47 | 109.5° | 109.5° |
| N5 | C31 | H48 | 109.5° | 109.5° |
| N5 | C31 | H49 | 109.5° | 109.5° |
| N5 | C32 | C33 | 112.7° | 109.4° |
| N5 | C32 | H50 | 108.7° | 109.5° |
| N5 | C32 | H51 | 108.6° | 109.5° |
| C37 | C38 | C33 | 120.5° | 120.0° |
| C38 | C37 | C36 | 120.0° | 120.0° |
| C38 | C37 | H55 | 120.0° | 120.0° |
| C37 | C38 | H56 | 119.8° | 120.0° |
| C38 | C33 | C32 | 120.6° | 120.0° |
| C38 | C33 | C34 | 119.0° | 120.0° |
| C33 | C38 | H56 | 119.7° | 120.0° |
| C37 | C36 | C35 | 120.0° | 120.0° |
| C37 | C36 | H54 | 120.0° | 120.0° |
| C36 | C37 | H55 | 120.0° | 120.0° |
| C14 | C1 | N1 | 109.3° | 109.5° |
| C1 | C14 | C16 | 112.3° | 109.4° |
| C14 | C1 | H27 | 107.3° | 109.5° |
| C1 | C14 | H37 | 106.7° | 109.4° |
| C1 | N1 | C2 | 121.8° | 120.0° |
| C1 | N1 | H1 | 119.1° | 120.0° |
| N1 | C1 | H27 | 108.4° | 109.5° |
| C14 | C16 | C21 | 121.4° | 120.0° |
| C14 | C16 | C17 | 120.5° | 120.0° |
| C16 | C14 | H37 | 107.0° | 109.5° |
| C32 | C33 | C34 | 120.4° | 120.0° |
| C33 | C32 | H50 | 108.6° | 109.5° |
| C33 | C32 | H51 | 108.6° | 109.5° |
| C33 | C34 | C35 | 120.1° | 120.0° |
| C33 | C34 | H52 | 119.9° | 120.0° |
| C36 | C35 | C34 | 120.3° | 120.0° |
| C36 | C35 | H53 | 119.9° | 120.0° |
| C35 | C36 | H54 | 120.0° | 120.0° |
| C16 | C21 | C20 | 120.6° | 120.0° |
| C21 | C16 | C17 | 118.1° | 120.0° |
| C16 | C21 | H20 | 119.7° | 120.0° |
| C21 | C20 | C19 | 120.4° | 120.0° |
| C21 | C20 | H19 | 119.8° | 120.0° |
| C20 | C21 | H20 | 119.7° | 120.0° |
| O1 | C2 | N1 | 122.6° | 120.0° |
| O1 | C2 | C3 | 120.9° | 120.0° |
| C35 | C34 | H52 | 120.0° | 120.0° |
| C34 | C35 | H53 | 119.8° | 120.0° |
| N1 | C2 | C3 | 116.5° | 120.0° |
| C2 | N1 | H1 | 119.1° | 120.0° |
| C16 | C17 | C18 | 121.0° | 120.0° |
| C16 | C17 | H18 | 119.5° | 120.0° |
| C20 | C19 | C18 | 119.5° | 120.0° |
| C19 | C20 | H19 | 119.8° | 120.1° |
| C20 | C19 | H39 | 120.2° | 120.0° |
| C2 | C3 | C11 | 115.9° | 109.5° |
| C2 | C3 | N2 | 105.8° | 109.5° |
| C2 | C3 | H28 | 107.7° | 109.5° |
| C12 | C11 | O3 | 110.1° | 109.5° |
| C12 | C11 | C3 | 110.5° | 109.5° |
| C12 | C11 | C13 | 110.8° | 109.5° |
| C11 | C12 | H33 | 109.5° | 109.5° |
| C11 | C12 | H34 | 109.4° | 109.5° |
| C11 | C12 | H35 | 109.5° | 109.5° |
| O3 | C11 | C3 | 109.4° | 109.4° |
| O3 | C11 | C13 | 107.7° | 109.4° |
| C11 | O3 | H36 | 109.5° | 114.0° |
| C3 | C11 | C13 | 108.3° | 109.5° |
| C11 | C3 | N2 | 110.7° | 109.5° |
| C11 | C3 | H28 | 107.8° | 109.4° |
| C11 | C13 | H12 | 109.5° | 109.5° |
| C11 | C13 | H13 | 109.5° | 109.5° |
| C11 | C13 | H14 | 109.5° | 109.5° |
| C17 | C18 | C19 | 120.4° | 120.0° |
| C18 | C17 | H18 | 119.5° | 120.0° |
| C17 | C18 | H38 | 119.8° | 120.0° |
| C3 | N2 | C4 | 120.9° | 120.0° |
| N2 | C3 | H28 | 108.7° | 109.5° |
| C3 | N2 | H29 | 119.5° | 120.0° |
| C19 | C18 | H38 | 119.8° | 120.0° |
| C18 | C19 | H39 | 120.2° | 120.0° |
| N2 | C4 | C5 | 115.2° | 120.0° |
| N2 | C4 | O2 | 124.4° | 120.0° |
| C4 | N2 | H29 | 119.5° | 120.0° |
| F1 | C5 | C4 | 107.7° | 109.5° |
| F1 | C5 | C6 | 108.6° | 109.4° |
| F1 | C5 | H3 | 110.2° | 109.5° |
| C5 | C4 | O2 | 119.7° | 120.0° |
| C4 | C5 | C6 | 112.5° | 109.5° |
| C4 | C5 | H3 | 108.9° | 109.5° |
| C5 | C6 | C7 | 110.2° | 109.5° |
| C6 | C5 | H3 | 108.9° | 109.5° |
| C5 | C6 | H4 | 109.3° | 109.5° |
| C5 | C6 | H5 | 109.3° | 109.4° |
| C9 | C7 | C6 | 111.1° | 109.5° |
| C9 | C7 | C10 | 109.8° | 109.4° |
| C9 | C7 | C8 | 108.6° | 109.5° |
| C7 | C9 | H30 | 109.5° | 109.4° |
| C7 | C9 | H31 | 109.5° | 109.5° |
| C7 | C9 | H32 | 109.4° | 109.4° |
| C6 | C7 | C10 | 111.0° | 109.5° |
| C6 | C7 | C8 | 109.0° | 109.5° |
| C7 | C6 | H4 | 109.3° | 109.5° |
| C7 | C6 | H5 | 109.3° | 109.5° |
| C10 | C7 | C8 | 107.3° | 109.4° |
| C7 | C10 | H9 | 109.5° | 109.5° |
| C7 | C10 | H10 | 109.5° | 109.5° |
| C7 | C10 | H11 | 109.5° | 109.4° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H8 | 109.4° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.4° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.4° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H21 | C24 | H22 | 109.4° | 109.5° |
| H21 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H30 | C9 | H31 | 109.5° | 109.5° |
| H30 | C9 | H32 | 109.5° | 109.5° |
| H31 | C9 | H32 | 109.5° | 109.5° |
| H33 | C12 | H34 | 109.5° | 109.5° |
| H33 | C12 | H35 | 109.5° | 109.5° |
| H34 | C12 | H35 | 109.5° | 109.4° |
| H42 | C27 | H43 | 109.5° | 109.4° |
| H44 | C29 | H45 | 109.5° | 109.5° |
| H44 | C29 | H46 | 109.4° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.5° |
| H47 | C31 | H48 | 109.5° | 109.4° |
| H47 | C31 | H49 | 109.5° | 109.4° |
| H48 | C31 | H49 | 109.5° | 109.5° |
| H50 | C32 | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | O6 | C28 | C27 | 127.6° | 180.0° |
| C29 | O6 | C28 | H25 | 112.1° | 59.9° |
| C29 | O6 | C28 | H26 | 7.4° | 60.0° |
| O6 | C29 | H44 | H45 | 120.0° | 120.0° |
| O6 | C29 | H44 | H46 | 120.0° | 119.9° |
| O6 | C29 | H45 | H46 | 120.0° | 120.0° |
| C24 | C23 | C25 | N3 | 122.0° | 120.0° |
| C24 | C23 | C25 | H40 | 117.3° | 120.0° |
| C24 | C23 | N3 | H40 | 117.6° | 120.0° |
| C24 | C23 | C25 | N4 | 92.8° | 60.0° |
| C24 | C23 | C25 | O5 | 85.7° | 120.0° |
| C24 | C23 | N3 | C22 | 170.9° | 85.0° |
| C24 | C23 | N3 | H2 | 9.1° | 95.0° |
| C23 | C24 | H21 | H22 | 120.0° | 120.0° |
| C23 | C24 | H21 | H23 | 120.0° | 120.0° |
| C23 | C24 | H22 | H23 | 120.0° | 120.0° |
| C28 | C27 | C26 | H42 | 120.7° | 120.1° |
| C28 | C27 | C26 | H43 | 120.8° | 120.0° |
| C27 | C28 | O6 | H25 | 120.2° | 120.0° |
| C27 | C28 | O6 | H26 | 120.2° | 120.0° |
| C28 | C27 | C26 | N4 | 174.2° | 65.0° |
| C28 | C27 | C26 | C30 | 64.0° | 175.0° |
| C28 | C27 | C26 | H24 | 54.9° | 54.9° |
| C27 | C28 | H25 | H26 | 119.3° | 120.0° |
| C28 | C27 | H42 | H43 | 117.6° | 120.0° |
| C26 | C27 | C28 | O6 | 99.6° | 180.0° |
| C27 | C26 | N4 | C30 | 124.1° | 120.0° |
| C27 | C26 | N4 | H24 | 118.6° | 120.0° |
| C27 | C26 | N4 | C25 | 124.0° | 85.0° |
| C27 | C26 | C30 | H24 | 118.9° | 120.1° |
| C27 | C26 | C30 | O7 | 28.5° | 119.9° |
| C27 | C26 | C30 | N5 | 151.1° | 60.0° |
| C26 | C27 | C28 | H25 | 20.7° | 60.0° |
| C26 | C27 | C28 | H26 | 140.2° | 60.0° |
| C27 | C26 | N4 | H41 | 56.0° | 95.0° |
| C26 | C27 | H42 | H43 | 117.7° | 120.0° |
| O6 | C28 | H25 | H26 | 119.3° | 120.0° |
| O6 | C28 | C27 | H42 | 21.2° | 60.0° |
| O6 | C28 | C27 | H43 | 139.7° | 60.0° |
| C28 | O6 | C29 | H44 | 180.0° | 180.0° |
| C28 | O6 | C29 | H45 | 60.0° | 60.0° |
| C28 | O6 | C29 | H46 | 60.0° | 60.0° |
| C25 | C23 | N3 | H40 | 120.2° | 120.0° |
| C23 | C25 | N4 | C26 | 176.4° | 179.9° |
| C23 | C25 | N4 | O5 | 178.4° | 180.0° |
| C25 | C23 | N3 | C22 | 66.9° | 155.1° |
| C25 | C23 | N3 | H2 | 113.1° | 25.0° |
| C25 | C23 | C24 | H21 | 180.0° | 180.0° |
| C25 | C23 | C24 | H22 | 60.0° | 60.0° |
| C25 | C23 | C24 | H23 | 60.0° | 60.0° |
| C23 | C25 | N4 | H41 | 3.5° | 0.0° |
| N3 | C23 | C25 | N4 | 145.2° | 180.0° |
| N3 | C23 | C25 | O5 | 36.3° | 0.0° |
| C23 | N3 | C22 | H2 | 180.0° | 179.9° |
| C23 | N3 | C22 | O4 | 2.6° | 5.0° |
| C23 | N3 | C22 | C1 | 180.0° | 175.0° |
| N3 | C23 | C24 | H21 | 55.5° | 60.0° |
| N3 | C23 | C24 | H22 | 175.4° | 180.0° |
| N3 | C23 | C24 | H23 | 64.6° | 60.0° |
| C26 | N4 | C25 | H41 | 180.0° | 179.9° |
| N4 | C26 | C30 | H24 | 117.9° | 120.0° |
| C26 | N4 | C25 | O5 | 5.1° | 0.0° |
| N4 | C26 | C30 | O7 | 94.7° | 0.0° |
| N4 | C26 | C30 | N5 | 85.7° | 180.0° |
| N4 | C26 | C27 | H42 | 65.0° | 55.0° |
| N4 | C26 | C27 | H43 | 53.5° | 175.0° |
| C25 | N4 | C26 | C30 | 111.9° | 155.0° |
| C25 | N4 | C26 | H24 | 5.4° | 34.9° |
| N4 | C25 | C23 | H40 | 24.5° | 60.0° |
| C26 | C30 | O7 | N5 | 179.7° | 180.0° |
| C26 | C30 | N5 | C31 | 1.6° | 0.0° |
| C26 | C30 | N5 | C32 | 179.0° | 180.0° |
| C30 | C26 | N4 | H41 | 68.1° | 25.0° |
| C30 | C26 | C27 | H42 | 56.8° | 64.9° |
| C30 | C26 | C27 | H43 | 175.3° | 55.0° |
| O5 | C25 | C23 | H40 | 157.0° | 119.9° |
| O5 | C25 | N4 | H41 | 174.9° | 180.0° |
| O7 | C30 | N5 | C31 | 178.1° | 180.0° |
| O7 | C30 | N5 | C32 | 1.4° | 0.0° |
| O7 | C30 | C26 | H24 | 147.4° | 120.0° |
| N3 | C22 | O4 | C1 | 177.2° | 180.0° |
| N3 | C22 | C1 | C14 | 118.1° | 89.0° |
| N3 | C22 | C1 | N1 | 118.9° | 151.0° |
| N3 | C22 | C1 | H27 | 3.1° | 31.0° |
| C22 | N3 | C23 | H40 | 53.3° | 35.1° |
| C30 | N5 | C31 | C32 | 179.4° | 180.0° |
| C30 | N5 | C32 | C33 | 87.0° | 90.0° |
| N5 | C30 | C26 | H24 | 32.3° | 60.0° |
| C30 | N5 | C31 | H47 | 180.0° | 90.0° |
| C30 | N5 | C31 | H48 | 60.0° | 150.0° |
| C30 | N5 | C31 | H49 | 60.0° | 30.0° |
| C30 | N5 | C32 | H50 | 152.5° | 150.0° |
| C30 | N5 | C32 | H51 | 33.5° | 30.0° |
| O4 | C22 | C1 | C14 | 64.4° | 91.1° |
| O4 | C22 | C1 | N1 | 58.5° | 29.0° |
| O4 | C22 | N3 | H2 | 177.4° | 174.9° |
| O4 | C22 | C1 | H27 | 174.3° | 149.0° |
| C22 | C1 | C14 | C15 | 53.0° | 54.0° |
| C22 | C1 | C14 | N1 | 121.3° | 120.0° |
| C22 | C1 | C14 | H27 | 121.3° | 120.0° |
| C22 | C1 | N1 | H27 | 115.1° | 120.0° |
| C22 | C1 | C14 | C16 | 179.4° | 174.0° |
| C22 | C1 | N1 | C2 | 116.5° | 155.0° |
| C22 | C1 | N1 | H1 | 63.5° | 24.7° |
| C1 | C22 | N3 | H2 | 0.0° | 5.1° |
| C22 | C1 | C14 | H37 | 63.6° | 66.0° |
| C15 | C14 | C1 | C16 | 126.4° | 120.0° |
| C15 | C14 | C1 | H37 | 116.6° | 120.0° |
| C15 | C14 | C1 | N1 | 174.4° | 174.0° |
| C15 | C14 | C16 | H37 | 116.8° | 120.1° |
| C15 | C14 | C16 | C21 | 38.7° | 120.0° |
| C15 | C14 | C16 | C17 | 141.0° | 60.0° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 119.9° |
| C15 | C14 | C1 | H27 | 68.3° | 66.0° |
| C31 | N5 | C32 | C33 | 93.5° | 90.0° |
| N5 | C31 | H47 | H48 | 120.0° | 120.0° |
| N5 | C31 | H47 | H49 | 120.0° | 120.0° |
| N5 | C31 | H48 | H49 | 120.0° | 120.0° |
| C31 | N5 | C32 | H50 | 27.0° | 29.9° |
| C31 | N5 | C32 | H51 | 146.0° | 150.0° |
| N5 | C32 | C33 | C38 | 2.2° | 90.3° |
| N5 | C32 | C33 | H50 | 120.5° | 119.9° |
| N5 | C32 | C33 | H51 | 120.5° | 120.0° |
| N5 | C32 | C33 | C34 | 178.0° | 90.0° |
| C32 | N5 | C31 | H47 | 0.6° | 90.0° |
| C32 | N5 | C31 | H48 | 120.6° | 30.0° |
| C32 | N5 | C31 | H49 | 119.4° | 150.0° |
| N5 | C32 | H50 | H51 | 118.5° | 120.0° |
| C37 | C38 | C33 | H56 | 180.0° | 179.4° |
| C38 | C37 | C36 | H55 | 180.0° | 179.7° |
| C37 | C38 | C33 | C32 | 179.7° | 179.7° |
| C37 | C38 | C33 | C34 | 0.5° | 0.6° |
| C38 | C37 | C36 | C35 | 0.8° | 0.3° |
| C38 | C37 | C36 | H54 | 179.2° | 179.7° |
| C33 | C38 | C37 | C36 | 0.8° | 0.6° |
| C38 | C33 | C32 | C34 | 179.8° | 179.7° |
| C38 | C33 | C34 | C35 | 0.2° | 0.3° |
| C38 | C33 | C32 | H50 | 122.7° | 149.7° |
| C38 | C33 | C32 | H51 | 118.2° | 29.7° |
| C38 | C33 | C34 | H52 | 179.8° | 179.7° |
| C33 | C38 | C37 | H55 | 179.2° | 179.7° |
| C37 | C36 | C35 | H54 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.6° | 0.0° |
| C37 | C36 | C35 | H53 | 179.4° | 180.0° |
| C36 | C37 | C38 | H56 | 179.2° | 180.0° |
| C14 | C1 | N1 | H27 | 116.6° | 120.0° |
| C1 | C14 | C16 | H37 | 116.9° | 120.0° |
| C1 | C14 | C16 | C21 | 87.6° | 120.0° |
| C14 | C1 | N1 | C2 | 115.2° | 85.0° |
| C1 | C14 | C16 | C17 | 92.7° | 60.0° |
| C14 | C1 | N1 | H1 | 64.8° | 95.3° |
| C1 | C14 | C15 | H15 | 180.0° | 60.5° |
| C1 | C14 | C15 | H16 | 60.0° | 179.5° |
| C1 | C14 | C15 | H17 | 60.0° | 59.6° |
| N1 | C1 | C14 | C16 | 59.3° | 66.0° |
| C1 | N1 | C2 | O1 | 6.2° | 3.8° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 172.8° | 176.3° |
| N1 | C1 | C14 | H37 | 57.8° | 54.0° |
| C14 | C16 | C21 | C17 | 179.7° | 179.9° |
| C14 | C16 | C21 | C20 | 179.8° | 179.5° |
| C14 | C16 | C17 | C18 | 179.7° | 180.0° |
| C16 | C14 | C15 | H15 | 53.3° | 59.5° |
| C16 | C14 | C15 | H16 | 173.3° | 60.6° |
| C16 | C14 | C15 | H17 | 66.7° | 179.5° |
| C14 | C16 | C17 | H18 | 0.3° | 0.3° |
| C14 | C16 | C21 | H20 | 0.2° | 0.1° |
| C16 | C14 | C1 | H27 | 58.1° | 54.0° |
| C32 | C33 | C34 | C35 | 180.0° | 180.0° |
| C33 | C32 | H50 | H51 | 118.5° | 120.0° |
| C32 | C33 | C34 | H52 | 0.1° | 0.0° |
| C32 | C33 | C38 | H56 | 0.3° | 0.3° |
| C33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C33 | C34 | C35 | H52 | 180.0° | 180.0° |
| C34 | C33 | C32 | H50 | 57.5° | 29.9° |
| C34 | C33 | C32 | H51 | 61.6° | 150.0° |
| C33 | C34 | C35 | H53 | 179.7° | 180.0° |
| C34 | C33 | C38 | H56 | 179.5° | 180.0° |
| C36 | C35 | C34 | H53 | 180.0° | 180.0° |
| C36 | C35 | C34 | H52 | 179.7° | 180.0° |
| C35 | C36 | C37 | H55 | 179.2° | 180.0° |
| C16 | C21 | C20 | H20 | 180.0° | 179.4° |
| C16 | C21 | C20 | C19 | 0.4° | 0.8° |
| C21 | C16 | C17 | C18 | 0.0° | 0.1° |
| C21 | C16 | C17 | H18 | 180.0° | 179.6° |
| C16 | C21 | C20 | H19 | 179.6° | 179.7° |
| C21 | C16 | C14 | H37 | 155.5° | 0.1° |
| C20 | C21 | C16 | C17 | 0.1° | 0.6° |
| C21 | C20 | C19 | H19 | 180.0° | 179.5° |
| C21 | C20 | C19 | C18 | 0.7° | 0.5° |
| C21 | C20 | C19 | H39 | 179.3° | 180.0° |
| O1 | C2 | N1 | C3 | 179.0° | 180.0° |
| O1 | C2 | C3 | C11 | 77.8° | 92.2° |
| O1 | C2 | C3 | N2 | 45.2° | 27.8° |
| O1 | C2 | N1 | H1 | 173.8° | 176.6° |
| O1 | C2 | C3 | H28 | 161.4° | 147.8° |
| C34 | C35 | C36 | H54 | 179.5° | 180.0° |
| N1 | C2 | C3 | C11 | 101.1° | 87.8° |
| N1 | C2 | C3 | N2 | 135.8° | 152.1° |
| C2 | N1 | C1 | H27 | 1.4° | 35.0° |
| N1 | C2 | C3 | H28 | 19.7° | 32.1° |
| C16 | C17 | C18 | H18 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.3° | 0.2° |
| C17 | C16 | C21 | H20 | 179.9° | 179.9° |
| C17 | C16 | C14 | H37 | 24.1° | 180.0° |
| C16 | C17 | C18 | H38 | 179.7° | 179.7° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C20 | C19 | C18 | H39 | 180.0° | 179.5° |
| C19 | C20 | C21 | H20 | 179.5° | 179.8° |
| C20 | C19 | C18 | H38 | 179.4° | 180.0° |
| C2 | C3 | C11 | C12 | 62.0° | 62.8° |
| C2 | C3 | C11 | O3 | 59.4° | 57.3° |
| C2 | C3 | C11 | N2 | 120.5° | 120.0° |
| C2 | C3 | C11 | H28 | 120.7° | 120.0° |
| C2 | C3 | C11 | C13 | 176.5° | 177.2° |
| C2 | C3 | N2 | H28 | 115.4° | 120.0° |
| C2 | C3 | N2 | C4 | 118.1° | 155.0° |
| C3 | C2 | N1 | H1 | 7.2° | 3.4° |
| C2 | C3 | N2 | H29 | 61.9° | 25.0° |
| C12 | C11 | O3 | C3 | 121.6° | 120.0° |
| C12 | C11 | O3 | C13 | 120.9° | 120.0° |
| C12 | C11 | C3 | C13 | 121.5° | 120.0° |
| C12 | C11 | C3 | N2 | 177.6° | 177.2° |
| C12 | C11 | C13 | H12 | 180.0° | 179.9° |
| C12 | C11 | C13 | H13 | 60.0° | 60.0° |
| C12 | C11 | C13 | H14 | 60.0° | 60.0° |
| C12 | C11 | C3 | H28 | 58.8° | 57.2° |
| C11 | C12 | H33 | H34 | 120.0° | 120.0° |
| C11 | C12 | H33 | H35 | 120.0° | 120.0° |
| C11 | C12 | H34 | H35 | 120.0° | 120.0° |
| C12 | C11 | O3 | H36 | 180.0° | 60.0° |
| O3 | C11 | C3 | C13 | 117.1° | 119.9° |
| O3 | C11 | C3 | N2 | 61.1° | 62.7° |
| O3 | C11 | C13 | H12 | 59.5° | 60.0° |
| O3 | C11 | C13 | H13 | 60.5° | 60.1° |
| O3 | C11 | C13 | H14 | 179.5° | 180.0° |
| O3 | C11 | C3 | H28 | 179.9° | 177.3° |
| O3 | C11 | C12 | H33 | 180.0° | 179.9° |
| O3 | C11 | C12 | H34 | 60.0° | 59.9° |
| O3 | C11 | C12 | H35 | 60.0° | 60.0° |
| C11 | C3 | N2 | H28 | 118.2° | 120.0° |
| C11 | C3 | N2 | C4 | 115.5° | 85.0° |
| C3 | C11 | C13 | H12 | 58.7° | 59.9° |
| C3 | C11 | C13 | H13 | 178.7° | 180.0° |
| C3 | C11 | C13 | H14 | 61.3° | 60.0° |
| C11 | C3 | N2 | H29 | 64.5° | 95.0° |
| C3 | C11 | C12 | H33 | 59.1° | 60.1° |
| C3 | C11 | C12 | H34 | 179.1° | 179.9° |
| C3 | C11 | C12 | H35 | 60.9° | 60.0° |
| C3 | C11 | O3 | H36 | 58.5° | 180.0° |
| C13 | C11 | C3 | N2 | 56.0° | 57.2° |
| C11 | C13 | H12 | H13 | 120.0° | 120.1° |
| C11 | C13 | H12 | H14 | 120.0° | 120.0° |
| C11 | C13 | H13 | H14 | 120.0° | 120.0° |
| C13 | C11 | C3 | H28 | 62.7° | 62.8° |
| C13 | C11 | C12 | H33 | 60.9° | 60.0° |
| C13 | C11 | C12 | H34 | 59.1° | 60.1° |
| C13 | C11 | C12 | H35 | 179.1° | 180.0° |
| C13 | C11 | O3 | H36 | 59.0° | 60.0° |
| C17 | C18 | C19 | H38 | 180.0° | 179.9° |
| C17 | C18 | C19 | H39 | 179.4° | 179.5° |
| C3 | N2 | C4 | H29 | 180.0° | 180.0° |
| C3 | N2 | C4 | C5 | 149.8° | 180.0° |
| C3 | N2 | C4 | O2 | 20.4° | 0.1° |
| C19 | C18 | C17 | H18 | 179.7° | 179.9° |
| C18 | C19 | C20 | H19 | 179.3° | 180.0° |
| N2 | C4 | C5 | F1 | 11.7° | 105.1° |
| N2 | C4 | C5 | O2 | 170.7° | 179.9° |
| N2 | C4 | C5 | C6 | 107.9° | 135.0° |
| N2 | C4 | C5 | H3 | 131.2° | 14.9° |
| C4 | N2 | C3 | H28 | 2.7° | 35.0° |
| F1 | C5 | C4 | C6 | 119.7° | 119.9° |
| F1 | C5 | C4 | H3 | 119.5° | 120.0° |
| F1 | C5 | C4 | O2 | 159.0° | 75.0° |
| F1 | C5 | C6 | H3 | 120.0° | 120.0° |
| F1 | C5 | C6 | C7 | 52.1° | 65.0° |
| F1 | C5 | C6 | H4 | 68.0° | 55.0° |
| F1 | C5 | C6 | H5 | 172.2° | 175.0° |
| C4 | C5 | C6 | H3 | 120.8° | 120.1° |
| C4 | C5 | C6 | C7 | 171.3° | 175.0° |
| C4 | C5 | C6 | H4 | 51.2° | 64.9° |
| C4 | C5 | C6 | H5 | 68.6° | 55.1° |
| C5 | C4 | N2 | H29 | 30.2° | 0.0° |
| O2 | C4 | C5 | C6 | 81.4° | 44.9° |
| O2 | C4 | C5 | H3 | 39.5° | 165.0° |
| O2 | C4 | N2 | H29 | 159.6° | 179.9° |
| C5 | C6 | C7 | C9 | 81.0° | 180.0° |
| C5 | C6 | C7 | H4 | 120.1° | 120.1° |
| C5 | C6 | C7 | H5 | 120.1° | 119.9° |
| C5 | C6 | C7 | C10 | 41.5° | 60.1° |
| C5 | C6 | C7 | C8 | 159.4° | 59.9° |
| C5 | C6 | H4 | H5 | 119.7° | 120.0° |
| C9 | C7 | C6 | C10 | 122.5° | 120.0° |
| C9 | C7 | C6 | C8 | 119.6° | 120.0° |
| C9 | C7 | C10 | C8 | 117.8° | 120.0° |
| C9 | C7 | C6 | H4 | 39.1° | 60.0° |
| C9 | C7 | C6 | H5 | 158.9° | 60.0° |
| C9 | C7 | C8 | H6 | 180.0° | 180.0° |
| C9 | C7 | C8 | H7 | 60.0° | 59.9° |
| C9 | C7 | C8 | H8 | 60.0° | 60.1° |
| C9 | C7 | C10 | H9 | 180.0° | 60.1° |
| C9 | C7 | C10 | H10 | 60.0° | 60.0° |
| C9 | C7 | C10 | H11 | 60.0° | 180.0° |
| C7 | C9 | H30 | H31 | 120.0° | 120.1° |
| C7 | C9 | H30 | H32 | 120.0° | 119.9° |
| C7 | C9 | H31 | H32 | 120.0° | 120.0° |
| C6 | C7 | C10 | C8 | 119.0° | 120.0° |
| C7 | C6 | C5 | H3 | 67.9° | 54.9° |
| C7 | C6 | H4 | H5 | 119.7° | 120.0° |
| C6 | C7 | C8 | H6 | 58.9° | 59.9° |
| C6 | C7 | C8 | H7 | 178.9° | 180.0° |
| C6 | C7 | C8 | H8 | 61.1° | 60.0° |
| C6 | C7 | C10 | H9 | 56.8° | 60.0° |
| C6 | C7 | C10 | H10 | 63.2° | 180.0° |
| C6 | C7 | C10 | H11 | 176.8° | 60.0° |
| C6 | C7 | C9 | H30 | 180.0° | 60.0° |
| C6 | C7 | C9 | H31 | 60.0° | 180.0° |
| C6 | C7 | C9 | H32 | 60.0° | 60.0° |
| C10 | C7 | C6 | H4 | 161.6° | 60.0° |
| C10 | C7 | C6 | H5 | 78.6° | 180.0° |
| C10 | C7 | C8 | H6 | 61.3° | 60.1° |
| C10 | C7 | C8 | H7 | 58.7° | 60.0° |
| C10 | C7 | C8 | H8 | 178.7° | 180.0° |
| C7 | C10 | H9 | H10 | 120.0° | 120.1° |
| C7 | C10 | H9 | H11 | 120.0° | 119.9° |
| C7 | C10 | H10 | H11 | 120.0° | 120.0° |
| C10 | C7 | C9 | H30 | 56.9° | 180.0° |
| C10 | C7 | C9 | H31 | 63.1° | 60.0° |
| C10 | C7 | C9 | H32 | 176.9° | 60.0° |
| C8 | C7 | C6 | H4 | 80.5° | 180.0° |
| C8 | C7 | C6 | H5 | 39.3° | 60.0° |
| C7 | C8 | H6 | H7 | 120.0° | 120.1° |
| C7 | C8 | H6 | H8 | 120.0° | 120.0° |
| C7 | C8 | H7 | H8 | 120.0° | 120.0° |
| C8 | C7 | C10 | H9 | 62.2° | 180.0° |
| C8 | C7 | C10 | H10 | 177.8° | 59.9° |
| C8 | C7 | C10 | H11 | 57.8° | 60.0° |
| C8 | C7 | C9 | H30 | 60.2° | 60.1° |
| C8 | C7 | C9 | H31 | 179.8° | 60.0° |
| C8 | C7 | C9 | H32 | 59.8° | 180.0° |
| H1 | N1 | C1 | H27 | 178.6° | 144.7° |
| H2 | N3 | C23 | H40 | 126.7° | 145.0° |
| H3 | C5 | C6 | H4 | 172.0° | 175.0° |
| H3 | C5 | C6 | H5 | 52.2° | 65.0° |
| H6 | C8 | H7 | H8 | 119.9° | 120.0° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| H12 | C13 | H13 | H14 | 120.0° | 119.9° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H15 | C15 | C14 | H37 | 63.6° | 179.6° |
| H16 | C15 | C14 | H37 | 56.4° | 59.5° |
| H17 | C15 | C14 | H37 | 176.4° | 60.4° |
| H18 | C17 | C18 | H38 | 0.3° | 0.0° |
| H19 | C20 | C21 | H20 | 0.4° | 0.3° |
| H19 | C20 | C19 | H39 | 0.6° | 0.5° |
| H21 | C24 | H22 | H23 | 120.0° | 120.0° |
| H21 | C24 | C23 | H40 | 62.7° | 60.0° |
| H22 | C24 | C23 | H40 | 57.3° | 60.0° |
| H23 | C24 | C23 | H40 | 177.2° | 180.0° |
| H24 | C26 | N4 | H41 | 174.7° | 145.0° |
| H24 | C26 | C27 | H42 | 175.7° | 175.0° |
| H24 | C26 | C27 | H43 | 65.8° | 65.1° |
| H25 | C28 | C27 | H42 | 141.4° | 180.0° |
| H25 | C28 | C27 | H43 | 100.1° | 60.0° |
| H26 | C28 | C27 | H42 | 99.0° | 60.1° |
| H26 | C28 | C27 | H43 | 19.4° | 180.0° |
| H27 | C1 | C14 | H37 | 175.1° | 174.0° |
| H28 | C3 | N2 | H29 | 177.3° | 145.0° |
| H30 | C9 | H31 | H32 | 120.0° | 120.0° |
| H33 | C12 | H34 | H35 | 120.0° | 120.0° |
| H38 | C18 | C19 | H39 | 0.6° | 0.6° |
| H44 | C29 | H45 | H46 | 120.0° | 120.0° |
| H47 | C31 | H48 | H49 | 120.0° | 119.9° |
| H52 | C34 | C35 | H53 | 0.3° | 0.0° |
| H53 | C35 | C36 | H54 | 0.6° | 0.0° |
| H54 | C36 | C37 | H55 | 0.8° | 0.0° |
| H55 | C37 | C38 | H56 | 0.8° | 0.3° |
