M6A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C23 | sing | 1.54Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | O8 | sing | 1.42Å | 1.46Å | |
| C23 | O9 | sing | 1.42Å | 1.44Å | |
| O8 | C9 | sing | 1.43Å | 1.41Å | |
| O7 | C6 | sing | 1.42Å | 1.44Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.52Å | 1.53Å | |
| C30 | C6 | sing | 1.54Å | 1.51Å | |
| O9 | C11 | sing | 1.43Å | 1.43Å | |
| C8 | C31 | sing | 1.54Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.54Å | 1.56Å | |
| C6 | C5 | sing | 1.52Å | 1.54Å | |
| C32 | C10 | sing | 1.52Å | 1.54Å | |
| C10 | C11 | sing | 1.52Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.50Å | 1.54Å | |
| C5 | O6 | sing | 1.43Å | 1.44Å | |
| O10 | C12 | sing | 1.43Å | 1.42Å | |
| O4 | C14 | doub | 1.22Å | 1.23Å | |
| C12 | C13 | sing | 1.52Å | 1.54Å | |
| C12 | C33 | sing | 1.56Å | 1.53Å | |
| C13 | C26 | sing | 1.53Å | 1.53Å | |
| C13 | O2 | sing | 1.45Å | 1.43Å | |
| C1 | O2 | sing | 1.34Å | 1.45Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | C29 | sing | 1.52Å | 1.53Å | |
| O6 | C20 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.51Å | 1.55Å | |
| C3 | O3 | sing | 1.46Å | 1.44Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.47Å | 1.46Å | |
| C14 | O3 | sing | 1.35Å | 1.45Å | |
| C14 | N1 | sing | 1.35Å | 1.32Å | |
| C2 | C28 | sing | 1.52Å | 1.52Å | |
| C21 | C22 | trip | 1.17Å | 1.28Å | |
| C19 | N5 | sing | 1.46Å | 1.44Å | |
| O5 | C18 | doub | 1.22Å | 1.25Å | |
| C15 | N1 | sing | 1.46Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N5 | C18 | sing | 1.35Å | 1.33Å | |
| C18 | N4 | sing | 1.35Å | 1.35Å | |
| N2 | C16 | sing | 1.46Å | 1.45Å | |
| N2 | C17 | sing | 1.37Å | 1.35Å | |
| N4 | C17 | sing | 1.38Å | 1.35Å | |
| C17 | N3 | doub | 1.30Å | 1.26Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å | |
| N4 | H5 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C3 | H13 | sing | 1.11Å | 1.10Å | |
| C4 | H14 | sing | 1.14Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.12Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.11Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| O10 | H28 | sing | 0.97Å | 0.95Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.12Å | 1.10Å | |
| C10 | H33 | sing | 1.12Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C9 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.08Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C7 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H49 | sing | 1.10Å | 1.10Å | |
| O7 | H50 | sing | 0.97Å | 0.95Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C5 | H54 | sing | 1.12Å | 1.10Å | |
| C20 | H55 | sing | 1.09Å | 1.10Å | |
| C20 | H56 | sing | 1.09Å | 1.10Å | |
| C22 | H57 | sing | 1.05Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C23 | C24 | 108.0° | 108.0° |
| C25 | C23 | O8 | 112.5° | 108.1° |
| C25 | C23 | O9 | 109.9° | 108.3° |
| C23 | C25 | H40 | 109.5° | 109.4° |
| C23 | C25 | H41 | 109.5° | 109.5° |
| C23 | C25 | H42 | 109.5° | 109.5° |
| C24 | C23 | O8 | 106.6° | 109.7° |
| C24 | C23 | O9 | 109.4° | 110.1° |
| C23 | C24 | H37 | 109.5° | 109.5° |
| C23 | C24 | H38 | 109.5° | 109.5° |
| C23 | C24 | H39 | 109.5° | 109.5° |
| O8 | C23 | O9 | 110.3° | 112.4° |
| C23 | O8 | C9 | 117.7° | 116.8° |
| C23 | O9 | C11 | 114.1° | 118.1° |
| O8 | C9 | C8 | 105.5° | 107.8° |
| O8 | C9 | C10 | 111.9° | 109.0° |
| O8 | C9 | H43 | 109.1° | 108.5° |
| O7 | C6 | C30 | 108.9° | 109.6° |
| O7 | C6 | C7 | 112.3° | 109.9° |
| O7 | C6 | C5 | 105.9° | 112.3° |
| C6 | O7 | H50 | 109.5° | 114.0° |
| C8 | C9 | C10 | 114.8° | 112.1° |
| C9 | C8 | C31 | 107.3° | 108.1° |
| C9 | C8 | C7 | 114.3° | 109.3° |
| C8 | C9 | H43 | 107.7° | 109.6° |
| C9 | C8 | H44 | 107.3° | 112.2° |
| C9 | C10 | C32 | 109.9° | 112.8° |
| C9 | C10 | C11 | 107.5° | 110.3° |
| C9 | C10 | H33 | 107.9° | 106.6° |
| C10 | C9 | H43 | 107.6° | 109.8° |
| C30 | C6 | C7 | 108.9° | 106.6° |
| C30 | C6 | C5 | 108.4° | 109.7° |
| C6 | C30 | H51 | 109.5° | 109.5° |
| C6 | C30 | H52 | 109.5° | 109.5° |
| C6 | C30 | H53 | 109.5° | 109.5° |
| O9 | C11 | C10 | 111.1° | 110.6° |
| O9 | C11 | C12 | 105.9° | 110.2° |
| O9 | C11 | H32 | 108.1° | 105.5° |
| C31 | C8 | C7 | 113.5° | 107.8° |
| C31 | C8 | H44 | 107.3° | 107.8° |
| C8 | C31 | H45 | 109.5° | 109.5° |
| C8 | C31 | H46 | 109.5° | 109.5° |
| C8 | C31 | H47 | 109.5° | 109.5° |
| C8 | C7 | C6 | 117.0° | 112.5° |
| C7 | C8 | H44 | 106.9° | 111.5° |
| C8 | C7 | H48 | 107.6° | 109.9° |
| C8 | C7 | H49 | 107.6° | 108.7° |
| C7 | C6 | C5 | 112.3° | 108.5° |
| C6 | C7 | H48 | 107.5° | 109.3° |
| C6 | C7 | H49 | 107.6° | 108.4° |
| C6 | C5 | C4 | 110.8° | 118.3° |
| C6 | C5 | O6 | 109.1° | 109.5° |
| C6 | C5 | H54 | 107.8° | 105.7° |
| C32 | C10 | C11 | 115.5° | 113.7° |
| C32 | C10 | H33 | 107.8° | 105.9° |
| C10 | C32 | H34 | 109.5° | 109.5° |
| C10 | C32 | H35 | 109.5° | 109.5° |
| C10 | C32 | H36 | 109.5° | 109.5° |
| C10 | C11 | C12 | 117.6° | 118.1° |
| C10 | C11 | H32 | 106.8° | 105.6° |
| C11 | C10 | H33 | 107.9° | 106.9° |
| C11 | C12 | O10 | 106.1° | 111.2° |
| C11 | C12 | C13 | 107.2° | 116.9° |
| C11 | C12 | C33 | 113.7° | 106.4° |
| C12 | C11 | H32 | 107.0° | 105.8° |
| O1 | C1 | O2 | 123.4° | 120.2° |
| O1 | C1 | C2 | 120.1° | 119.3° |
| C4 | C5 | O6 | 112.1° | 111.0° |
| C5 | C4 | C3 | 114.5° | 114.9° |
| C5 | C4 | C29 | 112.2° | 117.4° |
| C5 | C4 | H14 | 106.2° | 103.2° |
| C4 | C5 | H54 | 107.9° | 106.8° |
| C5 | O6 | C20 | 110.6° | 114.0° |
| O6 | C5 | H54 | 109.1° | 104.5° |
| O10 | C12 | C13 | 110.2° | 109.8° |
| O10 | C12 | C33 | 108.0° | 105.4° |
| C12 | O10 | H28 | 109.5° | 113.9° |
| O4 | C14 | O3 | 120.7° | 120.0° |
| O4 | C14 | N1 | 127.9° | 120.0° |
| C13 | C12 | C33 | 111.5° | 106.4° |
| C12 | C13 | C26 | 112.5° | 112.4° |
| C12 | C13 | O2 | 108.7° | 113.5° |
| C12 | C13 | H22 | 108.3° | 106.5° |
| C12 | C33 | H29 | 109.5° | 109.5° |
| C12 | C33 | H30 | 109.4° | 109.4° |
| C12 | C33 | H31 | 109.5° | 109.4° |
| C26 | C13 | O2 | 109.1° | 111.1° |
| C13 | C26 | C27 | 114.8° | 109.5° |
| C26 | C13 | H22 | 108.4° | 106.3° |
| C13 | C26 | H23 | 108.1° | 109.5° |
| C13 | C26 | H24 | 108.1° | 109.5° |
| C13 | O2 | C1 | 118.4° | 117.8° |
| O2 | C13 | H22 | 109.8° | 106.5° |
| O2 | C1 | C2 | 116.4° | 120.6° |
| C1 | C2 | C3 | 111.2° | 112.4° |
| C1 | C2 | C28 | 106.6° | 110.1° |
| C1 | C2 | H18 | 109.0° | 105.0° |
| C3 | C4 | C29 | 110.6° | 112.9° |
| C4 | C3 | C2 | 111.6° | 119.3° |
| C4 | C3 | O3 | 110.2° | 108.6° |
| C4 | C3 | H13 | 108.9° | 106.6° |
| C3 | C4 | H14 | 106.4° | 103.1° |
| C29 | C4 | H14 | 106.3° | 102.9° |
| C4 | C29 | H15 | 109.5° | 109.5° |
| C4 | C29 | H16 | 109.5° | 109.5° |
| C4 | C29 | H17 | 109.5° | 109.5° |
| O6 | C20 | C21 | 112.1° | 109.5° |
| O6 | C20 | H55 | 108.8° | 109.5° |
| O6 | C20 | H56 | 108.8° | 109.4° |
| C2 | C3 | O3 | 107.5° | 109.4° |
| C3 | C2 | C28 | 113.2° | 115.8° |
| C2 | C3 | H13 | 108.5° | 107.2° |
| C3 | C2 | H18 | 108.2° | 106.6° |
| C3 | O3 | C14 | 114.0° | 117.0° |
| O3 | C3 | H13 | 110.1° | 104.8° |
| C27 | C26 | H23 | 108.1° | 109.5° |
| C27 | C26 | H24 | 108.1° | 109.5° |
| C26 | C27 | H25 | 109.5° | 109.5° |
| C26 | C27 | H26 | 109.5° | 109.5° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C20 | C21 | C22 | 178.8° | 179.9° |
| C21 | C20 | H55 | 108.8° | 109.5° |
| C21 | C20 | H56 | 108.8° | 109.4° |
| O3 | C14 | N1 | 111.3° | 120.0° |
| C14 | N1 | C15 | 125.7° | 120.0° |
| C14 | N1 | H12 | 117.2° | 120.0° |
| C28 | C2 | H18 | 108.6° | 106.1° |
| C2 | C28 | H19 | 109.5° | 109.5° |
| C2 | C28 | H20 | 109.5° | 109.5° |
| C2 | C28 | H21 | 109.5° | 109.5° |
| C21 | C22 | H57 | 180.0° | 180.0° |
| C19 | N5 | C18 | 122.0° | 120.0° |
| N5 | C19 | H1 | 109.5° | 109.6° |
| N5 | C19 | H2 | 109.5° | 109.5° |
| N5 | C19 | H3 | 109.5° | 109.5° |
| C19 | N5 | H4 | 119.0° | 120.0° |
| O5 | C18 | N5 | 121.4° | 120.0° |
| O5 | C18 | N4 | 125.5° | 120.0° |
| N1 | C15 | C16 | 108.1° | 109.5° |
| N1 | C15 | H10 | 109.8° | 109.4° |
| N1 | C15 | H11 | 109.8° | 109.5° |
| C15 | N1 | H12 | 117.2° | 120.0° |
| C15 | C16 | N2 | 112.6° | 109.5° |
| C15 | C16 | H8 | 108.7° | 109.5° |
| C15 | C16 | H9 | 108.7° | 109.5° |
| C16 | C15 | H10 | 109.8° | 109.4° |
| C16 | C15 | H11 | 109.8° | 109.5° |
| N5 | C18 | N4 | 113.1° | 120.0° |
| C18 | N5 | H4 | 119.0° | 120.0° |
| C18 | N4 | C17 | 124.3° | 120.0° |
| C18 | N4 | H5 | 117.8° | 120.0° |
| C16 | N2 | C17 | 124.8° | 120.0° |
| C16 | N2 | H7 | 117.6° | 120.0° |
| N2 | C16 | H8 | 108.7° | 109.4° |
| N2 | C16 | H9 | 108.7° | 109.5° |
| N2 | C17 | N4 | 121.1° | 120.0° |
| N2 | C17 | N3 | 121.6° | 120.0° |
| C17 | N2 | H7 | 117.6° | 119.9° |
| N4 | C17 | N3 | 117.1° | 120.0° |
| C17 | N4 | H5 | 117.9° | 120.0° |
| C17 | N3 | H6 | 112.0° | 120.0° |
| H1 | C19 | H2 | 109.5° | 109.4° |
| H1 | C19 | H3 | 109.5° | 109.4° |
| H2 | C19 | H3 | 109.4° | 109.4° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.4° | 109.5° |
| H15 | C29 | H16 | 109.5° | 109.4° |
| H15 | C29 | H17 | 109.4° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H21 | 109.4° | 109.4° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.4° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H27 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.5° | 109.4° |
| H29 | C33 | H30 | 109.5° | 109.6° |
| H29 | C33 | H31 | 109.5° | 109.4° |
| H30 | C33 | H31 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.5° |
| H34 | C32 | H36 | 109.5° | 109.5° |
| H35 | C32 | H36 | 109.5° | 109.5° |
| H37 | C24 | H38 | 109.5° | 109.4° |
| H37 | C24 | H39 | 109.5° | 109.5° |
| H38 | C24 | H39 | 109.4° | 109.5° |
| H40 | C25 | H41 | 109.5° | 109.5° |
| H40 | C25 | H42 | 109.5° | 109.5° |
| H41 | C25 | H42 | 109.5° | 109.5° |
| H45 | C31 | H46 | 109.5° | 109.5° |
| H45 | C31 | H47 | 109.5° | 109.4° |
| H46 | C31 | H47 | 109.5° | 109.5° |
| H48 | C7 | H49 | 109.4° | 108.0° |
| H51 | C30 | H52 | 109.5° | 109.5° |
| H51 | C30 | H53 | 109.5° | 109.4° |
| H52 | C30 | H53 | 109.5° | 109.5° |
| H55 | C20 | H56 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C23 | C24 | O8 | 121.2° | 117.6° |
| C25 | C23 | C24 | O9 | 119.6° | 118.1° |
| C25 | C23 | O8 | O9 | 123.1° | 119.5° |
| C25 | C23 | O8 | C9 | 71.4° | 136.1° |
| C25 | C23 | O9 | C11 | 127.3° | 174.6° |
| C25 | C23 | C24 | H37 | 180.0° | 57.7° |
| C25 | C23 | C24 | H38 | 60.0° | 62.3° |
| C25 | C23 | C24 | H39 | 60.0° | 177.7° |
| C23 | C25 | H40 | H41 | 120.0° | 120.0° |
| C23 | C25 | H40 | H42 | 120.0° | 120.0° |
| C23 | C25 | H41 | H42 | 120.0° | 120.0° |
| C24 | C23 | O8 | O9 | 118.7° | 122.9° |
| C24 | C23 | O8 | C9 | 170.3° | 106.4° |
| C24 | C23 | O9 | C11 | 114.3° | 67.6° |
| C23 | C24 | H37 | H38 | 120.0° | 120.0° |
| C23 | C24 | H37 | H39 | 120.0° | 120.0° |
| C23 | C24 | H38 | H39 | 120.0° | 120.0° |
| C24 | C23 | C25 | H40 | 180.0° | 178.7° |
| C24 | C23 | C25 | H41 | 60.0° | 61.4° |
| C24 | C23 | C25 | H42 | 60.0° | 58.7° |
| C23 | O8 | C9 | C8 | 172.5° | 160.2° |
| C23 | O8 | C9 | C10 | 47.0° | 38.3° |
| O8 | C23 | O9 | C11 | 2.7° | 55.2° |
| O8 | C23 | C24 | H37 | 58.8° | 60.0° |
| O8 | C23 | C24 | H38 | 61.2° | 180.0° |
| O8 | C23 | C24 | H39 | 178.8° | 60.0° |
| O8 | C23 | C25 | H40 | 62.6° | 60.0° |
| O8 | C23 | C25 | H41 | 177.4° | 180.0° |
| O8 | C23 | C25 | H42 | 57.4° | 60.0° |
| C23 | O8 | C9 | H43 | 72.0° | 81.2° |
| O9 | C23 | O8 | C9 | 51.6° | 16.6° |
| C23 | O9 | C11 | C10 | 56.1° | 29.8° |
| C23 | O9 | C11 | C12 | 175.1° | 162.3° |
| C23 | O9 | C11 | H32 | 60.7° | 84.0° |
| O9 | C23 | C24 | H37 | 60.4° | 175.7° |
| O9 | C23 | C24 | H38 | 179.6° | 55.8° |
| O9 | C23 | C24 | H39 | 59.6° | 64.2° |
| O9 | C23 | C25 | H40 | 60.7° | 62.1° |
| O9 | C23 | C25 | H41 | 59.3° | 57.9° |
| O9 | C23 | C25 | H42 | 179.3° | 177.9° |
| O8 | C9 | C8 | C10 | 123.7° | 119.9° |
| O8 | C9 | C8 | H43 | 116.5° | 117.9° |
| O8 | C9 | C10 | H43 | 119.9° | 118.8° |
| O8 | C9 | C8 | C31 | 160.4° | 29.1° |
| O8 | C9 | C8 | C7 | 72.8° | 88.0° |
| O8 | C9 | C10 | C32 | 118.8° | 170.3° |
| O8 | C9 | C10 | C11 | 7.7° | 61.3° |
| O8 | C9 | C10 | H33 | 123.9° | 54.5° |
| O8 | C9 | C8 | H44 | 45.4° | 147.8° |
| O7 | C6 | C30 | C7 | 122.8° | 118.9° |
| O7 | C6 | C30 | C5 | 114.8° | 123.8° |
| O7 | C6 | C7 | C8 | 55.3° | 14.3° |
| O7 | C6 | C7 | C5 | 119.3° | 123.2° |
| O7 | C6 | C5 | C4 | 63.0° | 50.1° |
| O7 | C6 | C5 | O6 | 173.3° | 78.4° |
| O7 | C6 | C7 | H48 | 65.8° | 136.7° |
| O7 | C6 | C7 | H49 | 176.4° | 105.9° |
| O7 | C6 | C30 | H51 | 180.0° | 53.6° |
| O7 | C6 | C30 | H52 | 60.0° | 66.4° |
| O7 | C6 | C30 | H53 | 60.0° | 173.5° |
| O7 | C6 | C5 | H54 | 54.9° | 169.6° |
| C8 | C9 | C10 | H43 | 119.8° | 122.0° |
| C9 | C8 | C31 | C7 | 127.2° | 118.0° |
| C9 | C8 | C31 | H44 | 115.0° | 121.4° |
| C9 | C8 | C7 | H44 | 118.5° | 124.6° |
| C9 | C8 | C7 | C6 | 96.2° | 109.1° |
| C8 | C9 | C10 | C32 | 120.9° | 51.1° |
| C8 | C9 | C10 | C11 | 112.6° | 179.5° |
| C8 | C9 | C10 | H33 | 3.6° | 64.7° |
| C9 | C8 | C31 | H45 | 180.0° | 60.0° |
| C9 | C8 | C31 | H46 | 60.0° | 180.0° |
| C9 | C8 | C31 | H47 | 60.0° | 60.0° |
| C9 | C8 | C7 | H48 | 24.8° | 12.9° |
| C9 | C8 | C7 | H49 | 142.6° | 130.9° |
| C9 | C10 | C11 | O9 | 58.0° | 27.2° |
| C10 | C9 | C8 | C31 | 75.9° | 90.8° |
| C10 | C9 | C8 | C7 | 50.9° | 152.1° |
| C9 | C10 | C32 | C11 | 121.9° | 126.6° |
| C9 | C10 | C32 | H33 | 117.4° | 116.3° |
| C9 | C10 | C11 | H33 | 116.2° | 115.5° |
| C9 | C10 | C11 | C12 | 179.8° | 101.1° |
| C9 | C10 | C11 | H32 | 59.6° | 140.9° |
| C9 | C10 | C32 | H34 | 180.0° | 90.3° |
| C9 | C10 | C32 | H35 | 60.0° | 29.7° |
| C9 | C10 | C32 | H36 | 60.0° | 149.7° |
| C10 | C9 | C8 | H44 | 169.2° | 27.9° |
| C30 | C6 | C7 | C8 | 65.4° | 133.0° |
| C30 | C6 | C7 | C5 | 120.1° | 118.1° |
| C30 | C6 | C5 | C4 | 179.7° | 72.1° |
| C30 | C6 | C5 | O6 | 56.5° | 159.4° |
| C30 | C6 | C7 | H48 | 173.5° | 104.6° |
| C30 | C6 | C7 | H49 | 55.8° | 12.8° |
| C30 | C6 | O7 | H50 | 180.0° | 56.8° |
| C6 | C30 | H51 | H52 | 120.0° | 120.0° |
| C6 | C30 | H51 | H53 | 120.0° | 120.0° |
| C6 | C30 | H52 | H53 | 120.0° | 120.0° |
| C30 | C6 | C5 | H54 | 61.8° | 47.4° |
| O9 | C11 | C10 | C32 | 65.1° | 155.1° |
| O9 | C11 | C10 | C12 | 122.2° | 128.3° |
| O9 | C11 | C10 | H32 | 117.6° | 113.6° |
| O9 | C11 | C12 | H32 | 115.1° | 113.6° |
| O9 | C11 | C12 | O10 | 50.1° | 168.7° |
| O9 | C11 | C12 | C13 | 67.6° | 64.1° |
| O9 | C11 | C12 | C33 | 168.7° | 54.4° |
| O9 | C11 | C10 | H33 | 174.2° | 88.3° |
| C31 | C8 | C7 | H44 | 118.0° | 118.2° |
| C31 | C8 | C7 | C6 | 140.3° | 133.6° |
| C31 | C8 | C9 | H43 | 43.9° | 147.0° |
| C8 | C31 | H45 | H46 | 120.0° | 120.0° |
| C8 | C31 | H45 | H47 | 120.0° | 120.0° |
| C8 | C31 | H46 | H47 | 120.0° | 120.0° |
| C31 | C8 | C7 | H48 | 98.6° | 104.4° |
| C31 | C8 | C7 | H49 | 19.2° | 13.6° |
| C8 | C7 | C6 | H48 | 121.1° | 122.3° |
| C8 | C7 | C6 | H49 | 121.1° | 120.2° |
| C8 | C7 | C6 | C5 | 174.6° | 108.8° |
| C7 | C8 | C9 | H43 | 170.7° | 29.9° |
| C7 | C8 | C31 | H45 | 52.8° | 178.0° |
| C7 | C8 | C31 | H46 | 67.2° | 62.0° |
| C7 | C8 | C31 | H47 | 172.8° | 58.0° |
| C8 | C7 | H48 | H49 | 116.6° | 118.4° |
| C7 | C6 | C5 | C4 | 60.0° | 171.8° |
| C7 | C6 | C5 | O6 | 63.8° | 43.3° |
| C6 | C7 | C8 | H44 | 22.3° | 15.5° |
| C6 | C7 | H48 | H49 | 116.6° | 117.7° |
| C7 | C6 | O7 | H50 | 59.3° | 60.0° |
| C7 | C6 | C30 | H51 | 57.2° | 65.3° |
| C7 | C6 | C30 | H52 | 62.8° | 174.7° |
| C7 | C6 | C30 | H53 | 177.2° | 54.7° |
| C7 | C6 | C5 | H54 | 177.8° | 68.7° |
| C6 | C5 | C4 | O6 | 122.1° | 127.8° |
| C6 | C5 | C4 | H54 | 117.8° | 118.9° |
| C6 | C5 | O6 | H54 | 117.6° | 112.8° |
| C6 | C5 | C4 | C3 | 131.2° | 135.2° |
| C6 | C5 | C4 | C29 | 101.6° | 1.1° |
| C6 | C5 | O6 | C20 | 146.8° | 33.0° |
| C6 | C5 | C4 | H14 | 14.2° | 113.3° |
| C5 | C6 | C7 | H48 | 53.5° | 13.5° |
| C5 | C6 | C7 | H49 | 64.3° | 130.9° |
| C5 | C6 | O7 | H50 | 63.6° | 179.1° |
| C5 | C6 | C30 | H51 | 65.2° | 177.4° |
| C5 | C6 | C30 | H52 | 174.8° | 57.4° |
| C5 | C6 | C30 | H53 | 54.8° | 62.7° |
| C32 | C10 | C11 | H33 | 120.7° | 116.6° |
| C32 | C10 | C11 | C12 | 57.1° | 26.8° |
| C32 | C10 | C11 | H32 | 177.3° | 91.2° |
| C10 | C32 | H34 | H35 | 120.0° | 120.0° |
| C10 | C32 | H34 | H36 | 120.0° | 120.0° |
| C10 | C32 | H35 | H36 | 120.0° | 120.0° |
| C32 | C10 | C9 | H43 | 1.1° | 70.9° |
| C10 | C11 | C12 | H32 | 120.1° | 117.9° |
| C10 | C11 | C12 | O10 | 74.7° | 62.8° |
| C10 | C11 | C12 | C13 | 167.6° | 64.3° |
| C10 | C11 | C12 | C33 | 43.9° | 177.1° |
| C11 | C10 | C32 | H34 | 58.1° | 36.3° |
| C11 | C10 | C32 | H35 | 61.9° | 156.3° |
| C11 | C10 | C32 | H36 | 178.1° | 83.7° |
| C11 | C10 | C9 | H43 | 127.6° | 57.5° |
| C11 | C12 | O10 | C13 | 115.7° | 131.0° |
| C11 | C12 | O10 | C33 | 122.2° | 114.8° |
| C11 | C12 | C13 | C33 | 125.0° | 118.6° |
| C11 | C12 | C13 | C26 | 155.3° | 53.6° |
| C11 | C12 | C13 | O2 | 83.9° | 73.6° |
| C11 | C12 | C13 | H22 | 35.4° | 169.6° |
| C11 | C12 | O10 | H28 | 180.0° | 169.0° |
| C11 | C12 | C33 | H29 | 180.0° | 169.6° |
| C11 | C12 | C33 | H30 | 60.0° | 49.5° |
| C11 | C12 | C33 | H31 | 60.0° | 70.5° |
| C12 | C11 | C10 | H33 | 63.6° | 143.4° |
| O1 | C1 | O2 | C13 | 5.3° | 5.2° |
| O1 | C1 | O2 | C2 | 177.1° | 178.4° |
| O1 | C1 | C2 | C3 | 65.6° | 68.9° |
| O1 | C1 | C2 | C28 | 58.3° | 160.4° |
| O1 | C1 | C2 | H18 | 175.3° | 46.6° |
| C4 | C5 | O6 | H54 | 119.4° | 114.8° |
| C5 | C4 | C3 | C29 | 128.0° | 138.2° |
| C5 | C4 | C3 | H14 | 117.0° | 111.5° |
| C5 | C4 | C29 | H14 | 115.7° | 112.5° |
| C4 | C5 | O6 | C20 | 90.1° | 99.4° |
| C5 | C4 | C3 | C2 | 168.5° | 65.2° |
| C5 | C4 | C3 | O3 | 72.2° | 61.0° |
| C5 | C4 | C3 | H13 | 48.7° | 173.5° |
| C5 | C4 | C29 | H15 | 180.0° | 158.0° |
| C5 | C4 | C29 | H16 | 60.0° | 38.0° |
| C5 | C4 | C29 | H17 | 60.0° | 82.0° |
| O6 | C5 | C4 | C3 | 106.7° | 7.4° |
| O6 | C5 | C4 | C29 | 20.5° | 128.8° |
| C5 | O6 | C20 | C21 | 159.8° | 162.8° |
| O6 | C5 | C4 | H14 | 136.2° | 118.9° |
| C5 | O6 | C20 | H55 | 39.4° | 77.2° |
| C5 | O6 | C20 | H56 | 79.8° | 42.8° |
| O10 | C12 | C13 | C33 | 119.9° | 113.6° |
| O10 | C12 | C13 | C26 | 40.3° | 178.6° |
| O10 | C12 | C13 | O2 | 161.1° | 54.2° |
| O10 | C12 | C13 | H22 | 79.6° | 62.6° |
| O10 | C12 | C33 | H29 | 62.6° | 51.4° |
| O10 | C12 | C33 | H30 | 57.4° | 68.6° |
| O10 | C12 | C33 | H31 | 177.4° | 171.4° |
| O10 | C12 | C11 | H32 | 165.2° | 55.1° |
| O4 | C14 | O3 | C3 | 19.9° | 0.0° |
| O4 | C14 | O3 | N1 | 177.9° | 180.0° |
| O4 | C14 | N1 | C15 | 5.4° | 0.0° |
| O4 | C14 | N1 | H12 | 174.5° | 180.0° |
| C12 | C13 | C26 | O2 | 120.6° | 128.4° |
| C12 | C13 | C26 | H22 | 119.8° | 116.2° |
| C12 | C13 | O2 | H22 | 118.4° | 116.9° |
| C12 | C13 | O2 | C1 | 123.7° | 151.5° |
| C12 | C13 | C26 | C27 | 154.5° | 142.5° |
| C12 | C13 | C26 | H23 | 84.7° | 22.5° |
| C12 | C13 | C26 | H24 | 33.7° | 97.5° |
| C13 | C12 | O10 | H28 | 64.3° | 60.0° |
| C13 | C12 | C33 | H29 | 58.7° | 65.1° |
| C13 | C12 | C33 | H30 | 178.7° | 174.8° |
| C13 | C12 | C33 | H31 | 61.4° | 54.8° |
| C13 | C12 | C11 | H32 | 47.5° | 177.7° |
| C33 | C12 | C13 | C26 | 79.7° | 65.0° |
| C33 | C12 | C13 | O2 | 41.2° | 167.8° |
| C33 | C12 | C13 | H22 | 160.5° | 51.0° |
| C33 | C12 | O10 | H28 | 57.8° | 54.2° |
| C12 | C33 | H29 | H30 | 120.0° | 120.0° |
| C12 | C33 | H29 | H31 | 120.0° | 119.9° |
| C12 | C33 | H30 | H31 | 120.0° | 119.9° |
| C33 | C12 | C11 | H32 | 76.2° | 59.1° |
| C26 | C13 | O2 | H22 | 118.7° | 115.3° |
| C26 | C13 | O2 | C1 | 113.4° | 80.6° |
| C13 | C26 | C27 | H23 | 120.8° | 120.0° |
| C13 | C26 | C27 | H24 | 120.8° | 120.0° |
| C13 | C26 | H23 | H24 | 117.6° | 120.0° |
| C13 | C26 | C27 | H25 | 180.0° | 177.0° |
| C13 | C26 | C27 | H26 | 60.0° | 56.9° |
| C13 | C26 | C27 | H27 | 60.0° | 63.1° |
| C13 | O2 | C1 | C2 | 177.6° | 173.2° |
| O2 | C13 | C26 | C27 | 33.9° | 89.1° |
| O2 | C13 | C26 | H23 | 154.7° | 150.8° |
| O2 | C13 | C26 | H24 | 86.9° | 30.9° |
| O2 | C1 | C2 | C3 | 111.6° | 112.7° |
| O2 | C1 | C2 | C28 | 124.5° | 18.0° |
| O2 | C1 | C2 | H18 | 7.5° | 131.8° |
| C1 | O2 | C13 | H22 | 5.3° | 34.7° |
| C1 | C2 | C3 | C4 | 50.2° | 102.7° |
| C1 | C2 | C3 | C28 | 120.1° | 127.7° |
| C1 | C2 | C3 | H18 | 119.6° | 114.5° |
| C1 | C2 | C3 | O3 | 171.1° | 23.1° |
| C1 | C2 | C28 | H18 | 117.2° | 113.1° |
| C1 | C2 | C3 | H13 | 69.8° | 136.2° |
| C1 | C2 | C28 | H19 | 180.0° | 90.7° |
| C1 | C2 | C28 | H20 | 60.0° | 29.3° |
| C1 | C2 | C28 | H21 | 60.0° | 149.3° |
| C3 | C4 | C29 | H14 | 115.1° | 110.4° |
| C4 | C3 | C2 | O3 | 120.9° | 125.8° |
| C4 | C3 | C2 | H13 | 120.0° | 121.1° |
| C4 | C3 | O3 | H13 | 120.1° | 113.6° |
| C4 | C3 | O3 | C14 | 125.6° | 138.3° |
| C4 | C3 | C2 | C28 | 170.3° | 25.0° |
| C3 | C4 | C29 | H15 | 50.8° | 64.9° |
| C3 | C4 | C29 | H16 | 170.8° | 175.1° |
| C3 | C4 | C29 | H17 | 69.2° | 55.1° |
| C4 | C3 | C2 | H18 | 69.4° | 142.7° |
| C3 | C4 | C5 | H54 | 13.4° | 105.9° |
| C29 | C4 | C3 | C2 | 63.6° | 73.0° |
| C29 | C4 | C3 | O3 | 55.8° | 160.8° |
| C29 | C4 | C3 | H13 | 176.7° | 48.3° |
| C4 | C29 | H15 | H16 | 120.0° | 120.0° |
| C4 | C29 | H15 | H17 | 120.0° | 120.0° |
| C4 | C29 | H16 | H17 | 120.0° | 120.0° |
| C29 | C4 | C5 | H54 | 140.6° | 117.9° |
| O6 | C20 | C21 | H55 | 120.4° | 120.1° |
| O6 | C20 | C21 | H56 | 120.4° | 119.9° |
| O6 | C20 | C21 | C22 | 89.9° | 75.8° |
| C20 | O6 | C5 | H54 | 29.3° | 145.8° |
| O6 | C20 | H55 | H56 | 118.8° | 120.0° |
| C2 | C3 | O3 | H13 | 118.1° | 114.7° |
| C2 | C3 | O3 | C14 | 112.6° | 90.0° |
| C3 | C2 | C28 | H18 | 120.1° | 118.0° |
| C2 | C3 | C4 | H14 | 51.5° | 176.7° |
| C3 | C2 | C28 | H19 | 57.4° | 38.1° |
| C3 | C2 | C28 | H20 | 62.6° | 158.1° |
| C3 | C2 | C28 | H21 | 177.4° | 81.9° |
| C3 | O3 | C14 | N1 | 162.2° | 180.0° |
| O3 | C3 | C2 | C28 | 68.8° | 150.8° |
| O3 | C3 | C4 | H14 | 170.9° | 50.5° |
| O3 | C3 | C2 | H18 | 51.5° | 91.5° |
| C27 | C26 | C13 | H22 | 85.7° | 26.3° |
| C27 | C26 | H23 | H24 | 117.6° | 120.0° |
| C26 | C27 | H25 | H26 | 120.0° | 120.1° |
| C26 | C27 | H25 | H27 | 120.0° | 120.0° |
| C26 | C27 | H26 | H27 | 120.0° | 120.0° |
| C21 | C20 | H55 | H56 | 118.8° | 120.0° |
| C20 | C21 | C22 | H57 | 26.6° | 110.1° |
| O3 | C14 | N1 | C15 | 172.3° | 180.0° |
| O3 | C14 | N1 | H12 | 7.8° | 0.0° |
| C14 | O3 | C3 | H13 | 5.5° | 24.7° |
| C14 | N1 | C15 | H12 | 180.0° | 179.9° |
| C14 | N1 | C15 | C16 | 137.4° | 180.0° |
| C14 | N1 | C15 | H10 | 17.6° | 60.1° |
| C14 | N1 | C15 | H11 | 102.8° | 60.0° |
| C28 | C2 | C3 | H13 | 50.3° | 96.1° |
| C2 | C28 | H19 | H20 | 120.0° | 120.0° |
| C2 | C28 | H19 | H21 | 120.0° | 120.0° |
| C2 | C28 | H20 | H21 | 120.0° | 120.0° |
| C22 | C21 | C20 | H55 | 149.7° | 44.3° |
| C22 | C21 | C20 | H56 | 30.5° | 164.3° |
| C19 | N5 | C18 | O5 | 4.7° | 0.1° |
| C19 | N5 | C18 | H4 | 180.0° | 179.9° |
| C19 | N5 | C18 | N4 | 172.5° | 180.0° |
| N5 | C19 | H1 | H2 | 120.0° | 120.1° |
| N5 | C19 | H1 | H3 | 120.0° | 120.0° |
| N5 | C19 | H2 | H3 | 120.0° | 120.0° |
| O5 | C18 | N5 | N4 | 177.1° | 179.9° |
| O5 | C18 | N4 | C17 | 8.7° | 5.4° |
| O5 | C18 | N5 | H4 | 175.4° | 180.0° |
| O5 | C18 | N4 | H5 | 171.3° | 174.6° |
| N1 | C15 | C16 | H10 | 119.8° | 120.0° |
| N1 | C15 | C16 | H11 | 119.8° | 120.1° |
| N1 | C15 | C16 | N2 | 72.7° | 180.0° |
| N1 | C15 | C16 | H8 | 166.9° | 60.0° |
| N1 | C15 | C16 | H9 | 47.8° | 60.0° |
| N1 | C15 | H10 | H11 | 120.7° | 120.1° |
| C15 | C16 | N2 | H8 | 120.5° | 120.0° |
| C15 | C16 | N2 | H9 | 120.5° | 120.1° |
| C15 | C16 | N2 | C17 | 121.3° | 180.0° |
| C15 | C16 | N2 | H7 | 58.7° | 0.1° |
| C15 | C16 | H8 | H9 | 118.6° | 120.0° |
| C16 | C15 | H10 | H11 | 120.6° | 120.0° |
| C16 | C15 | N1 | H12 | 42.6° | 0.0° |
| N5 | C18 | N4 | C17 | 174.3° | 174.7° |
| C18 | N5 | C19 | H1 | 180.0° | 60.0° |
| C18 | N5 | C19 | H2 | 60.0° | 180.0° |
| C18 | N5 | C19 | H3 | 60.0° | 60.1° |
| N5 | C18 | N4 | H5 | 5.7° | 5.3° |
| C18 | N4 | C17 | N2 | 6.0° | 5.2° |
| C18 | N4 | C17 | H5 | 180.0° | 180.0° |
| C18 | N4 | C17 | N3 | 167.8° | 174.7° |
| N4 | C18 | N5 | H4 | 7.5° | 0.1° |
| C16 | N2 | C17 | H7 | 180.0° | 180.0° |
| C16 | N2 | C17 | N4 | 161.2° | 174.7° |
| C16 | N2 | C17 | N3 | 12.3° | 5.3° |
| N2 | C16 | H8 | H9 | 118.5° | 120.0° |
| N2 | C16 | C15 | H10 | 47.1° | 60.0° |
| N2 | C16 | C15 | H11 | 167.5° | 59.9° |
| N2 | C17 | N4 | N3 | 173.8° | 179.9° |
| N2 | C17 | N4 | H5 | 174.0° | 174.8° |
| N2 | C17 | N3 | H6 | 173.8° | 175.0° |
| C17 | N2 | C16 | H8 | 118.2° | 60.0° |
| C17 | N2 | C16 | H9 | 0.8° | 60.0° |
| N4 | C17 | N3 | H6 | 0.0° | 5.0° |
| N4 | C17 | N2 | H7 | 18.8° | 5.3° |
| N3 | C17 | N4 | H5 | 12.2° | 5.2° |
| N3 | C17 | N2 | H7 | 167.7° | 174.6° |
| H1 | C19 | H2 | H3 | 120.0° | 119.9° |
| H1 | C19 | N5 | H4 | 0.0° | 120.0° |
| H2 | C19 | N5 | H4 | 120.0° | 0.1° |
| H3 | C19 | N5 | H4 | 120.0° | 120.0° |
| H7 | N2 | C16 | H8 | 61.8° | 120.1° |
| H7 | N2 | C16 | H9 | 179.2° | 120.0° |
| H8 | C16 | C15 | H10 | 73.3° | 180.0° |
| H8 | C16 | C15 | H11 | 47.0° | 60.1° |
| H9 | C16 | C15 | H10 | 167.6° | 60.0° |
| H9 | C16 | C15 | H11 | 72.0° | 179.9° |
| H10 | C15 | N1 | H12 | 162.4° | 120.0° |
| H11 | C15 | N1 | H12 | 77.2° | 120.0° |
| H13 | C3 | C4 | H14 | 68.3° | 62.0° |
| H13 | C3 | C2 | H18 | 170.6° | 21.7° |
| H14 | C4 | C29 | H15 | 64.3° | 45.5° |
| H14 | C4 | C29 | H16 | 55.7° | 74.5° |
| H14 | C4 | C29 | H17 | 175.7° | 165.5° |
| H14 | C4 | C5 | H54 | 103.6° | 5.6° |
| H15 | C29 | H16 | H17 | 120.0° | 120.0° |
| H18 | C2 | C28 | H19 | 62.7° | 156.1° |
| H18 | C2 | C28 | H20 | 177.3° | 83.9° |
| H18 | C2 | C28 | H21 | 57.2° | 36.1° |
| H19 | C28 | H20 | H21 | 119.9° | 120.0° |
| H22 | C13 | C26 | H23 | 35.1° | 93.7° |
| H22 | C13 | C26 | H24 | 153.5° | 146.3° |
| H23 | C26 | C27 | H25 | 59.2° | 63.0° |
| H23 | C26 | C27 | H26 | 179.2° | 176.9° |
| H23 | C26 | C27 | H27 | 60.8° | 56.9° |
| H24 | C26 | C27 | H25 | 59.2° | 57.0° |
| H24 | C26 | C27 | H26 | 60.8° | 63.1° |
| H24 | C26 | C27 | H27 | 179.2° | 176.9° |
| H25 | C27 | H26 | H27 | 120.0° | 119.9° |
| H29 | C33 | H30 | H31 | 120.0° | 120.0° |
| H32 | C11 | C10 | H33 | 56.6° | 25.3° |
| H33 | C10 | C32 | H34 | 62.6° | 153.4° |
| H33 | C10 | C32 | H35 | 177.4° | 86.6° |
| H33 | C10 | C32 | H36 | 57.4° | 33.4° |
| H33 | C10 | C9 | H43 | 116.2° | 173.2° |
| H34 | C32 | H35 | H36 | 120.0° | 120.0° |
| H37 | C24 | H38 | H39 | 120.0° | 120.0° |
| H40 | C25 | H41 | H42 | 120.0° | 120.0° |
| H43 | C9 | C8 | H44 | 71.0° | 94.3° |
| H44 | C8 | C31 | H45 | 65.0° | 61.5° |
| H44 | C8 | C31 | H46 | 175.0° | 58.6° |
| H44 | C8 | C31 | H47 | 54.9° | 178.6° |
| H44 | C8 | C7 | H48 | 143.3° | 137.5° |
| H44 | C8 | C7 | H49 | 98.9° | 104.5° |
| H45 | C31 | H46 | H47 | 120.0° | 119.9° |
| H51 | C30 | H52 | H53 | 120.0° | 120.0° |
