A1A43
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C19 | sing | 1.47Å | 1.46Å | |
| O2 | P1 | doub | 1.48Å | 1.49Å | |
| O4 | C18 | sing | 1.43Å | 1.43Å | |
| O4 | P1 | sing | 1.61Å | 1.61Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| O6 | C15 | sing | 1.43Å | 1.43Å | |
| P1 | O1 | sing | 1.61Å | 1.60Å | |
| P1 | O3 | sing | 1.61Å | 1.49Å | |
| C17 | O1 | sing | 1.43Å | 1.43Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | doub | 1.31Å | 1.36Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C16 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C20 | sing | 1.35Å | 1.31Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | O5 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| N1 | H35 | sing | 1.01Å | 1.00Å | |
| N1 | H36 | sing | 1.01Å | 1.00Å | |
| N2 | H38 | sing | 0.97Å | 1.00Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H49 | sing | 1.09Å | 1.10Å | |
| C26 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C28 | H54 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C31 | H60 | sing | 1.09Å | 1.10Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| O6 | H62 | sing | 0.97Å | 0.95Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | H64 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C19 | C18 | 111.1° | 109.4° |
| N1 | C19 | H33 | 109.1° | 109.5° |
| N1 | C19 | H34 | 109.1° | 109.5° |
| C19 | N1 | H35 | 109.5° | 110.9° |
| C19 | N1 | H36 | 109.5° | 111.0° |
| O2 | P1 | O4 | 106.3° | 109.5° |
| O2 | P1 | O1 | 111.3° | 109.5° |
| O2 | P1 | O3 | 118.3° | 109.5° |
| C18 | O4 | P1 | 118.2° | 123.0° |
| O4 | C18 | C19 | 112.9° | 109.5° |
| O4 | C18 | H31 | 108.6° | 109.5° |
| O4 | C18 | H32 | 108.6° | 109.5° |
| O4 | P1 | O1 | 101.5° | 109.4° |
| O4 | P1 | O3 | 111.9° | 109.5° |
| C19 | C18 | H31 | 108.6° | 109.5° |
| C19 | C18 | H32 | 108.6° | 109.4° |
| C18 | C19 | H33 | 109.0° | 109.5° |
| C18 | C19 | H34 | 109.0° | 109.5° |
| O6 | C15 | C16 | 107.0° | 109.4° |
| O6 | C15 | C14 | 112.3° | 109.4° |
| O6 | C15 | H26 | 108.5° | 109.5° |
| C15 | O6 | H62 | 109.5° | 114.1° |
| O1 | P1 | O3 | 106.3° | 109.5° |
| P1 | O1 | C17 | 120.0° | 123.0° |
| P1 | O3 | H30 | 109.5° | 114.0° |
| O1 | C17 | C16 | 109.2° | 109.5° |
| O1 | C17 | H28 | 109.5° | 109.4° |
| O1 | C17 | H29 | 109.6° | 109.5° |
| C17 | C16 | C15 | 111.1° | 109.4° |
| C17 | C16 | N2 | 110.3° | 109.5° |
| C17 | C16 | H27 | 108.4° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.5° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| C16 | C15 | C14 | 114.2° | 109.5° |
| C15 | C16 | N2 | 109.7° | 109.5° |
| C16 | C15 | H26 | 107.1° | 109.5° |
| C15 | C16 | H27 | 108.1° | 109.5° |
| C15 | C14 | C13 | 123.4° | 120.0° |
| C15 | C14 | H25 | 118.3° | 120.0° |
| C14 | C15 | H26 | 107.5° | 109.5° |
| C14 | C13 | C12 | 129.8° | 120.0° |
| C14 | C13 | H24 | 115.1° | 120.0° |
| C13 | C14 | H25 | 118.3° | 120.0° |
| C13 | C12 | C11 | 113.3° | 109.5° |
| C13 | C12 | H22 | 108.5° | 109.4° |
| C13 | C12 | H23 | 108.5° | 109.5° |
| C12 | C13 | H24 | 115.1° | 119.9° |
| C16 | N2 | C20 | 125.5° | 120.0° |
| N2 | C16 | H27 | 109.1° | 109.5° |
| C16 | N2 | H38 | 117.3° | 120.0° |
| N2 | C20 | C21 | 114.8° | 120.0° |
| N2 | C20 | O5 | 123.8° | 119.9° |
| C20 | N2 | H38 | 117.3° | 119.9° |
| C5 | C6 | C7 | 117.0° | 109.4° |
| C6 | C5 | C4 | 116.9° | 109.5° |
| C6 | C5 | H10 | 107.6° | 109.5° |
| C6 | C5 | H11 | 107.6° | 109.5° |
| C5 | C6 | H12 | 107.6° | 109.5° |
| C5 | C6 | H63 | 107.6° | 109.5° |
| C6 | C7 | C8 | 115.9° | 109.5° |
| C7 | C6 | H12 | 107.6° | 109.4° |
| C6 | C7 | H13 | 107.9° | 109.5° |
| C7 | C6 | H63 | 107.6° | 109.5° |
| C6 | C7 | H64 | 107.8° | 109.5° |
| C12 | C11 | C10 | 118.6° | 109.4° |
| C12 | C11 | H20 | 107.1° | 109.4° |
| C12 | C11 | H21 | 107.1° | 109.5° |
| C11 | C12 | H22 | 108.5° | 109.5° |
| C11 | C12 | H23 | 108.5° | 109.5° |
| C2 | C3 | C4 | 115.3° | 109.4° |
| C3 | C2 | C1 | 116.8° | 109.4° |
| C3 | C2 | H4 | 107.6° | 109.4° |
| C3 | C2 | H5 | 107.6° | 109.4° |
| C2 | C3 | H6 | 108.0° | 109.4° |
| C2 | C3 | H7 | 108.0° | 109.5° |
| C3 | C4 | C5 | 117.0° | 109.5° |
| C4 | C3 | H6 | 108.0° | 109.5° |
| C4 | C3 | H7 | 108.0° | 109.5° |
| C3 | C4 | H8 | 107.5° | 109.5° |
| C3 | C4 | H9 | 107.6° | 109.4° |
| C7 | C8 | C9 | 114.9° | 109.5° |
| C8 | C7 | H13 | 107.8° | 109.4° |
| C7 | C8 | H14 | 108.1° | 109.4° |
| C7 | C8 | H15 | 108.1° | 109.4° |
| C8 | C7 | H64 | 107.9° | 109.4° |
| C8 | C9 | C10 | 119.0° | 109.5° |
| C9 | C8 | H14 | 108.1° | 109.5° |
| C9 | C8 | H15 | 108.1° | 109.5° |
| C8 | C9 | H16 | 107.1° | 109.5° |
| C8 | C9 | H17 | 107.1° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 107.6° | 109.5° |
| C1 | C2 | H5 | 107.6° | 109.5° |
| C5 | C4 | H8 | 107.6° | 109.5° |
| C5 | C4 | H9 | 107.6° | 109.4° |
| C4 | C5 | H10 | 107.6° | 109.5° |
| C4 | C5 | H11 | 107.6° | 109.4° |
| C11 | C10 | C9 | 114.2° | 109.4° |
| C11 | C10 | H18 | 108.3° | 109.5° |
| C11 | C10 | H19 | 108.3° | 109.4° |
| C10 | C11 | H20 | 107.1° | 109.5° |
| C10 | C11 | H21 | 107.2° | 109.5° |
| C10 | C9 | H16 | 107.0° | 109.5° |
| C10 | C9 | H17 | 107.0° | 109.5° |
| C9 | C10 | H18 | 108.3° | 109.5° |
| C9 | C10 | H19 | 108.3° | 109.5° |
| C21 | C20 | O5 | 121.4° | 120.0° |
| C20 | C21 | C22 | 112.3° | 109.5° |
| C20 | C21 | H39 | 108.8° | 109.5° |
| C20 | C21 | H40 | 108.7° | 109.5° |
| C21 | C22 | C23 | 114.2° | 109.5° |
| C22 | C21 | H39 | 108.8° | 109.5° |
| C22 | C21 | H40 | 108.8° | 109.5° |
| C21 | C22 | H41 | 108.3° | 109.5° |
| C21 | C22 | H42 | 108.3° | 109.5° |
| C29 | C28 | C27 | 116.5° | 109.5° |
| C28 | C29 | C30 | 119.9° | 109.5° |
| C29 | C28 | H53 | 107.7° | 109.5° |
| C29 | C28 | H54 | 107.7° | 109.5° |
| C28 | C29 | H55 | 106.8° | 109.5° |
| C28 | C29 | H56 | 106.8° | 109.5° |
| C28 | C27 | C26 | 118.6° | 109.5° |
| C28 | C27 | H51 | 107.1° | 109.4° |
| C28 | C27 | H52 | 107.2° | 109.5° |
| C27 | C28 | H53 | 107.7° | 109.4° |
| C27 | C28 | H54 | 107.7° | 109.5° |
| C29 | C30 | C31 | 115.6° | 109.5° |
| C30 | C29 | H55 | 106.8° | 109.5° |
| C30 | C29 | H56 | 106.8° | 109.5° |
| C29 | C30 | H57 | 107.9° | 109.5° |
| C29 | C30 | H58 | 107.9° | 109.4° |
| C31 | C30 | H57 | 107.9° | 109.5° |
| C31 | C30 | H58 | 107.9° | 109.4° |
| C30 | C31 | H59 | 109.5° | 109.5° |
| C30 | C31 | H60 | 109.5° | 109.5° |
| C30 | C31 | H61 | 109.4° | 109.4° |
| C22 | C23 | C24 | 112.0° | 109.5° |
| C23 | C22 | H41 | 108.3° | 109.5° |
| C23 | C22 | H42 | 108.3° | 109.5° |
| C22 | C23 | H43 | 108.8° | 109.5° |
| C22 | C23 | H44 | 108.8° | 109.5° |
| C23 | C24 | C25 | 114.1° | 109.5° |
| C24 | C23 | H43 | 108.8° | 109.5° |
| C24 | C23 | H44 | 108.8° | 109.5° |
| C23 | C24 | H45 | 108.3° | 109.5° |
| C23 | C24 | H46 | 108.3° | 109.5° |
| C27 | C26 | C25 | 116.0° | 109.5° |
| C27 | C26 | H49 | 107.8° | 109.5° |
| C27 | C26 | H50 | 107.8° | 109.5° |
| C26 | C27 | H51 | 107.2° | 109.5° |
| C26 | C27 | H52 | 107.1° | 109.5° |
| C24 | C25 | C26 | 117.1° | 109.5° |
| C25 | C24 | H45 | 108.3° | 109.4° |
| C25 | C24 | H46 | 108.3° | 109.5° |
| C24 | C25 | H47 | 107.5° | 109.5° |
| C24 | C25 | H48 | 107.5° | 109.5° |
| C26 | C25 | H47 | 107.5° | 109.5° |
| C26 | C25 | H48 | 107.5° | 109.5° |
| C25 | C26 | H49 | 107.8° | 109.5° |
| C25 | C26 | H50 | 107.8° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H12 | C6 | H63 | 109.5° | 109.5° |
| H13 | C7 | H64 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.4° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H28 | C17 | H29 | 109.4° | 109.4° |
| H31 | C18 | H32 | 109.4° | 109.4° |
| H33 | C19 | H34 | 109.4° | 109.5° |
| H35 | N1 | H36 | 109.5° | 111.0° |
| H39 | C21 | H40 | 109.5° | 109.5° |
| H41 | C22 | H42 | 109.5° | 109.5° |
| H43 | C23 | H44 | 109.5° | 109.5° |
| H45 | C24 | H46 | 109.5° | 109.4° |
| H47 | C25 | H48 | 109.5° | 109.5° |
| H49 | C26 | H50 | 109.5° | 109.5° |
| H51 | C27 | H52 | 109.5° | 109.5° |
| H53 | C28 | H54 | 109.5° | 109.5° |
| H55 | C29 | H56 | 109.5° | 109.5° |
| H57 | C30 | H58 | 109.5° | 109.6° |
| H59 | C31 | H60 | 109.5° | 109.5° |
| H59 | C31 | H61 | 109.4° | 109.5° |
| H60 | C31 | H61 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C19 | C18 | O4 | 72.1° | 65.0° |
| N1 | C19 | C18 | H33 | 120.3° | 120.0° |
| N1 | C19 | C18 | H34 | 120.3° | 120.0° |
| N1 | C19 | C18 | H31 | 167.3° | 55.0° |
| N1 | C19 | C18 | H32 | 48.4° | 175.0° |
| N1 | C19 | H33 | H34 | 119.3° | 120.0° |
| C19 | N1 | H35 | H36 | 120.0° | 123.9° |
| O2 | P1 | O4 | C18 | 172.1° | 55.0° |
| O2 | P1 | O4 | O1 | 116.4° | 120.0° |
| O2 | P1 | O4 | O3 | 130.6° | 120.0° |
| O2 | P1 | O1 | O3 | 130.1° | 120.0° |
| O2 | P1 | O1 | C17 | 49.2° | 55.0° |
| O2 | P1 | O3 | H30 | 0.0° | 180.0° |
| O4 | C18 | C19 | H31 | 120.5° | 120.0° |
| O4 | C18 | C19 | H32 | 120.5° | 120.0° |
| C18 | O4 | P1 | O1 | 71.5° | 175.0° |
| C18 | O4 | P1 | O3 | 41.5° | 65.0° |
| O4 | C18 | H31 | H32 | 118.4° | 120.0° |
| O4 | C18 | C19 | H33 | 167.6° | 175.0° |
| O4 | C18 | C19 | H34 | 48.1° | 55.0° |
| P1 | O4 | C18 | C19 | 118.6° | 180.0° |
| O4 | P1 | O1 | O3 | 117.2° | 120.0° |
| O4 | P1 | O1 | C17 | 63.5° | 175.0° |
| O4 | P1 | O3 | H30 | 124.1° | 60.0° |
| P1 | O4 | C18 | H31 | 1.9° | 60.0° |
| P1 | O4 | C18 | H32 | 120.9° | 60.0° |
| C19 | C18 | H31 | H32 | 118.4° | 119.9° |
| C18 | C19 | H33 | H34 | 119.2° | 120.0° |
| C18 | C19 | N1 | H35 | 180.0° | 180.0° |
| C18 | C19 | N1 | H36 | 60.0° | 56.1° |
| O6 | C15 | C16 | C17 | 57.3° | 62.2° |
| O6 | C15 | C16 | C14 | 124.9° | 119.9° |
| O6 | C15 | C16 | H26 | 116.2° | 120.0° |
| O6 | C15 | C14 | H26 | 119.3° | 120.0° |
| O6 | C15 | C14 | C13 | 124.2° | 5.0° |
| O6 | C15 | C16 | N2 | 179.6° | 177.9° |
| O6 | C15 | C14 | H25 | 55.8° | 174.9° |
| O6 | C15 | C16 | H27 | 61.5° | 57.8° |
| P1 | O1 | C17 | C16 | 163.0° | 180.0° |
| P1 | O1 | C17 | H28 | 77.0° | 60.0° |
| P1 | O1 | C17 | H29 | 43.0° | 59.9° |
| O1 | P1 | O3 | H30 | 126.0° | 60.0° |
| O3 | P1 | O1 | C17 | 179.3° | 65.0° |
| O1 | C17 | C16 | H28 | 120.0° | 120.0° |
| O1 | C17 | C16 | H29 | 120.0° | 120.1° |
| O1 | C17 | C16 | C15 | 179.0° | 55.6° |
| O1 | C17 | C16 | N2 | 59.1° | 64.3° |
| O1 | C17 | C16 | H27 | 60.4° | 175.6° |
| O1 | C17 | H28 | H29 | 120.1° | 120.0° |
| C17 | C16 | C15 | N2 | 122.3° | 120.0° |
| C17 | C16 | C15 | H27 | 118.8° | 120.0° |
| C17 | C16 | C15 | C14 | 177.8° | 177.9° |
| C17 | C16 | N2 | H27 | 119.0° | 120.0° |
| C17 | C16 | N2 | C20 | 104.6° | 85.1° |
| C17 | C16 | C15 | H26 | 58.9° | 57.8° |
| C16 | C17 | H28 | H29 | 120.1° | 120.0° |
| C17 | C16 | N2 | H38 | 75.4° | 95.0° |
| C16 | C15 | C14 | H26 | 118.7° | 120.0° |
| C16 | C15 | C14 | C13 | 113.7° | 125.0° |
| C15 | C16 | N2 | H27 | 118.3° | 120.0° |
| C15 | C16 | N2 | C20 | 132.7° | 155.0° |
| C16 | C15 | C14 | H25 | 66.3° | 55.0° |
| C15 | C16 | C17 | H28 | 59.0° | 64.4° |
| C15 | C16 | C17 | H29 | 61.0° | 175.7° |
| C15 | C16 | N2 | H38 | 47.3° | 25.0° |
| C16 | C15 | O6 | H62 | 180.0° | 53.8° |
| C15 | C14 | C13 | H25 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 178.4° | 180.0° |
| C14 | C15 | C16 | N2 | 55.6° | 57.9° |
| C15 | C14 | C13 | H24 | 1.6° | 0.1° |
| C14 | C15 | C16 | H27 | 63.3° | 62.1° |
| C14 | C15 | O6 | H62 | 54.0° | 66.1° |
| C14 | C13 | C12 | H24 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 119.7° | 125.0° |
| C14 | C13 | C12 | H22 | 0.9° | 5.0° |
| C14 | C13 | C12 | H23 | 119.8° | 115.0° |
| C13 | C14 | C15 | H26 | 5.0° | 115.0° |
| C13 | C12 | C11 | H22 | 120.6° | 120.0° |
| C13 | C12 | C11 | H23 | 120.6° | 120.0° |
| C13 | C12 | C11 | C10 | 156.6° | 180.0° |
| C13 | C12 | C11 | H20 | 35.3° | 60.0° |
| C13 | C12 | C11 | H21 | 82.1° | 60.0° |
| C13 | C12 | H22 | H23 | 118.3° | 120.0° |
| C12 | C13 | C14 | H25 | 1.6° | 0.0° |
| C16 | N2 | C20 | H38 | 180.0° | 179.9° |
| C16 | N2 | C20 | C21 | 170.3° | 180.0° |
| C16 | N2 | C20 | O5 | 8.6° | 0.0° |
| N2 | C16 | C15 | H26 | 63.4° | 62.1° |
| N2 | C16 | C17 | H28 | 179.0° | 175.7° |
| N2 | C16 | C17 | H29 | 60.9° | 55.7° |
| N2 | C20 | C21 | O5 | 178.9° | 180.0° |
| N2 | C20 | C21 | C22 | 130.6° | 180.0° |
| C20 | N2 | C16 | H27 | 14.4° | 35.0° |
| N2 | C20 | C21 | H39 | 10.2° | 60.0° |
| N2 | C20 | C21 | H40 | 109.0° | 60.0° |
| C5 | C6 | C7 | H12 | 121.1° | 119.9° |
| C5 | C6 | C7 | H63 | 121.1° | 120.0° |
| C6 | C5 | C4 | C3 | 73.9° | 180.0° |
| C5 | C6 | C7 | C8 | 168.4° | 180.0° |
| C6 | C5 | C4 | H10 | 121.1° | 120.0° |
| C6 | C5 | C4 | H11 | 121.0° | 120.0° |
| C6 | C5 | C4 | H8 | 165.1° | 60.0° |
| C6 | C5 | C4 | H9 | 47.2° | 60.0° |
| C6 | C5 | H10 | H11 | 116.6° | 120.0° |
| C5 | C6 | H12 | H63 | 116.6° | 120.0° |
| C5 | C6 | C7 | H13 | 47.5° | 60.1° |
| C5 | C6 | C7 | H64 | 70.7° | 60.0° |
| C6 | C7 | C8 | H13 | 120.9° | 120.0° |
| C6 | C7 | C8 | H64 | 120.9° | 120.0° |
| C6 | C7 | C8 | C9 | 157.8° | 180.0° |
| C7 | C6 | C5 | C4 | 118.7° | 180.0° |
| C7 | C6 | C5 | H10 | 2.4° | 60.0° |
| C7 | C6 | C5 | H11 | 120.2° | 60.0° |
| C7 | C6 | H12 | H63 | 116.6° | 120.0° |
| C6 | C7 | H13 | H64 | 117.1° | 120.1° |
| C6 | C7 | C8 | H14 | 37.0° | 60.0° |
| C6 | C7 | C8 | H15 | 81.4° | 60.0° |
| C12 | C11 | C10 | H20 | 121.3° | 120.0° |
| C12 | C11 | C10 | H21 | 121.3° | 120.0° |
| C12 | C11 | C10 | C9 | 170.9° | 180.0° |
| C12 | C11 | C10 | H18 | 68.4° | 60.0° |
| C12 | C11 | C10 | H19 | 50.2° | 60.0° |
| C12 | C11 | H20 | H21 | 115.8° | 120.0° |
| C11 | C12 | H22 | H23 | 118.2° | 120.0° |
| C11 | C12 | C13 | H24 | 60.3° | 55.0° |
| C2 | C3 | C4 | H6 | 120.8° | 120.0° |
| C2 | C3 | C4 | H7 | 120.9° | 120.0° |
| C3 | C2 | C1 | H4 | 121.0° | 120.0° |
| C3 | C2 | C1 | H5 | 121.1° | 119.9° |
| C2 | C3 | C4 | C5 | 146.2° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 116.6° | 120.0° |
| C2 | C3 | H6 | H7 | 117.3° | 120.0° |
| C2 | C3 | C4 | H8 | 92.7° | 60.0° |
| C2 | C3 | C4 | H9 | 25.1° | 60.0° |
| C4 | C3 | C2 | C1 | 152.2° | NaN° |
| C3 | C4 | C5 | H8 | 121.1° | 120.1° |
| C3 | C4 | C5 | H9 | 121.1° | 119.9° |
| C4 | C3 | C2 | H4 | 86.7° | 60.0° |
| C4 | C3 | C2 | H5 | 31.2° | 60.0° |
| C4 | C3 | H6 | H7 | 117.3° | 120.0° |
| C3 | C4 | H8 | H9 | 116.6° | 120.0° |
| C3 | C4 | C5 | H10 | 165.1° | 59.9° |
| C3 | C4 | C5 | H11 | 47.2° | 60.0° |
| C7 | C8 | C9 | H14 | 120.8° | 120.0° |
| C7 | C8 | C9 | H15 | 120.8° | 120.0° |
| C7 | C8 | C9 | C10 | 111.6° | 180.0° |
| C8 | C7 | C6 | H12 | 70.5° | 60.1° |
| C8 | C7 | H13 | H64 | 117.1° | 119.9° |
| C7 | C8 | H14 | H15 | 117.5° | 119.9° |
| C7 | C8 | C9 | H16 | 9.7° | 59.9° |
| C7 | C8 | C9 | H17 | 127.0° | 60.0° |
| C8 | C7 | C6 | H63 | 47.3° | 60.0° |
| C8 | C9 | C10 | C11 | 118.5° | 180.0° |
| C8 | C9 | C10 | H16 | 121.4° | 120.0° |
| C8 | C9 | C10 | H17 | 121.4° | 119.9° |
| C9 | C8 | C7 | H13 | 81.3° | 60.0° |
| C9 | C8 | H14 | H15 | 117.5° | 120.0° |
| C8 | C9 | H16 | H17 | 115.7° | 119.9° |
| C8 | C9 | C10 | H18 | 120.8° | 60.0° |
| C8 | C9 | C10 | H19 | 2.2° | 60.1° |
| C9 | C8 | C7 | H64 | 36.9° | 60.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | H4 | H5 | 116.7° | 120.1° |
| C1 | C2 | C3 | H6 | 86.9° | 60.0° |
| C1 | C2 | C3 | H7 | 31.4° | 60.0° |
| C5 | C4 | C3 | H6 | 25.4° | 60.0° |
| C5 | C4 | C3 | H7 | 92.9° | 60.0° |
| C5 | C4 | H8 | H9 | 116.6° | 120.0° |
| C4 | C5 | H10 | H11 | 116.6° | 119.9° |
| C4 | C5 | C6 | H12 | 2.4° | 60.0° |
| C4 | C5 | C6 | H63 | 120.2° | 60.0° |
| C11 | C10 | C9 | H18 | 120.7° | 120.0° |
| C11 | C10 | C9 | H19 | 120.7° | 119.9° |
| C11 | C10 | C9 | H16 | 120.1° | 60.0° |
| C11 | C10 | C9 | H17 | 2.9° | 60.1° |
| C11 | C10 | H18 | H19 | 117.8° | 120.0° |
| C10 | C11 | H20 | H21 | 115.9° | 120.1° |
| C10 | C11 | C12 | H22 | 82.9° | 60.0° |
| C10 | C11 | C12 | H23 | 36.0° | 60.0° |
| C10 | C9 | C8 | H14 | 127.6° | 60.0° |
| C10 | C9 | C8 | H15 | 9.2° | 60.1° |
| C10 | C9 | H16 | H17 | 115.7° | 120.1° |
| C9 | C10 | H18 | H19 | 117.8° | 120.1° |
| C9 | C10 | C11 | H20 | 49.6° | 60.0° |
| C9 | C10 | C11 | H21 | 67.8° | 60.1° |
| C20 | C21 | C22 | H39 | 120.4° | 120.0° |
| C20 | C21 | C22 | H40 | 120.4° | 120.0° |
| C20 | C21 | C22 | C23 | 58.2° | 180.0° |
| C21 | C20 | N2 | H38 | 9.7° | 0.1° |
| C20 | C21 | H39 | H40 | 118.7° | 120.0° |
| C20 | C21 | C22 | H41 | 178.9° | 60.0° |
| C20 | C21 | C22 | H42 | 62.5° | 60.0° |
| O5 | C20 | C21 | C22 | 50.5° | 0.0° |
| O5 | C20 | N2 | H38 | 171.4° | 180.0° |
| O5 | C20 | C21 | H39 | 170.9° | 120.0° |
| O5 | C20 | C21 | H40 | 69.9° | 120.0° |
| C21 | C22 | C23 | H41 | 120.7° | 120.0° |
| C21 | C22 | C23 | H42 | 120.7° | 120.0° |
| C21 | C22 | C23 | C24 | 170.7° | 180.0° |
| C22 | C21 | H39 | H40 | 118.7° | 120.0° |
| C21 | C22 | H41 | H42 | 117.8° | 120.0° |
| C21 | C22 | C23 | H43 | 69.0° | 60.0° |
| C21 | C22 | C23 | H44 | 50.3° | 60.0° |
| C29 | C28 | C27 | H53 | 121.0° | 120.0° |
| C29 | C28 | C27 | H54 | 121.0° | 120.0° |
| C28 | C29 | C30 | H55 | 121.5° | 120.0° |
| C28 | C29 | C30 | H56 | 121.5° | 120.0° |
| C28 | C29 | C30 | C31 | 155.4° | 179.9° |
| C29 | C28 | C27 | C26 | 75.1° | 180.0° |
| C29 | C28 | C27 | H51 | 163.7° | 60.0° |
| C29 | C28 | C27 | H52 | 46.2° | 60.0° |
| C29 | C28 | H53 | H54 | 116.8° | 120.0° |
| C28 | C29 | H55 | H56 | 115.3° | 120.0° |
| C28 | C29 | C30 | H57 | 34.5° | 60.0° |
| C28 | C29 | C30 | H58 | 83.7° | 60.1° |
| C27 | C28 | C29 | C30 | 111.5° | 180.0° |
| C28 | C27 | C26 | H51 | 121.3° | 120.0° |
| C28 | C27 | C26 | H52 | 121.3° | 120.0° |
| C28 | C27 | C26 | C25 | 80.9° | 180.0° |
| C28 | C27 | C26 | H49 | 158.1° | 60.0° |
| C28 | C27 | C26 | H50 | 40.0° | 60.0° |
| C28 | C27 | H51 | H52 | 115.9° | 120.0° |
| C27 | C28 | H53 | H54 | 116.8° | 120.0° |
| C27 | C28 | C29 | H55 | 127.0° | 60.0° |
| C27 | C28 | C29 | H56 | 9.9° | 60.0° |
| C29 | C30 | C31 | H57 | 120.9° | 120.1° |
| C29 | C30 | C31 | H58 | 120.9° | 119.9° |
| C30 | C29 | C28 | H53 | 127.5° | 60.0° |
| C30 | C29 | C28 | H54 | 9.5° | 60.0° |
| C30 | C29 | H55 | H56 | 115.3° | 120.0° |
| C29 | C30 | H57 | H58 | 117.3° | 120.0° |
| C29 | C30 | C31 | H59 | 180.0° | 180.0° |
| C29 | C30 | C31 | H60 | 60.0° | 59.9° |
| C29 | C30 | C31 | H61 | 60.0° | 60.1° |
| C31 | C30 | C29 | H55 | 83.1° | 59.9° |
| C31 | C30 | C29 | H56 | 34.0° | 60.1° |
| C31 | C30 | H57 | H58 | 117.2° | 120.0° |
| C30 | C31 | H59 | H60 | 120.0° | 120.1° |
| C30 | C31 | H59 | H61 | 120.0° | 119.9° |
| C30 | C31 | H60 | H61 | 120.0° | 120.0° |
| C22 | C23 | C24 | H43 | 120.4° | 120.0° |
| C22 | C23 | C24 | H44 | 120.4° | 120.0° |
| C22 | C23 | C24 | C25 | 47.6° | 180.0° |
| C23 | C22 | C21 | H39 | 62.2° | 60.0° |
| C23 | C22 | C21 | H40 | 178.6° | 60.0° |
| C23 | C22 | H41 | H42 | 117.8° | 120.0° |
| C22 | C23 | H43 | H44 | 118.9° | 120.0° |
| C22 | C23 | C24 | H45 | 73.1° | 60.0° |
| C22 | C23 | C24 | H46 | 168.3° | 60.0° |
| C23 | C24 | C25 | H45 | 120.7° | 120.1° |
| C23 | C24 | C25 | H46 | 120.7° | 120.0° |
| C23 | C24 | C25 | C26 | 153.0° | 180.0° |
| C24 | C23 | C22 | H41 | 50.0° | 60.0° |
| C24 | C23 | C22 | H42 | 68.6° | 60.0° |
| C24 | C23 | H43 | H44 | 118.9° | 120.0° |
| C23 | C24 | H45 | H46 | 117.9° | 120.0° |
| C23 | C24 | C25 | H47 | 31.9° | 60.0° |
| C23 | C24 | C25 | H48 | 85.9° | 60.0° |
| C27 | C26 | C25 | C24 | 68.4° | 180.0° |
| C27 | C26 | C25 | H49 | 121.0° | 120.0° |
| C27 | C26 | C25 | H50 | 120.9° | 120.0° |
| C27 | C26 | C25 | H47 | 52.7° | 60.0° |
| C27 | C26 | C25 | H48 | 170.5° | 60.0° |
| C27 | C26 | H49 | H50 | 117.0° | 120.0° |
| C26 | C27 | H51 | H52 | 115.9° | 120.0° |
| C26 | C27 | C28 | H53 | 46.0° | 60.0° |
| C26 | C27 | C28 | H54 | 163.9° | 60.0° |
| C24 | C25 | C26 | H47 | 121.1° | 120.0° |
| C24 | C25 | C26 | H48 | 121.1° | 120.0° |
| C25 | C24 | C23 | H43 | 168.0° | 60.0° |
| C25 | C24 | C23 | H44 | 72.7° | 60.0° |
| C25 | C24 | H45 | H46 | 117.9° | 120.0° |
| C24 | C25 | H47 | H48 | 116.5° | 120.0° |
| C24 | C25 | C26 | H49 | 52.5° | 60.0° |
| C24 | C25 | C26 | H50 | 170.7° | 60.0° |
| C26 | C25 | C24 | H45 | 86.3° | 60.0° |
| C26 | C25 | C24 | H46 | 32.4° | 60.0° |
| C26 | C25 | H47 | H48 | 116.5° | 120.0° |
| C25 | C26 | H49 | H50 | 117.0° | 120.0° |
| C25 | C26 | C27 | H51 | 40.3° | 60.0° |
| C25 | C26 | C27 | H52 | 157.8° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 59.0° | 180.0° |
| H1 | C1 | C2 | H5 | 58.9° | 59.9° |
| H2 | C1 | C2 | H4 | 179.0° | 60.0° |
| H2 | C1 | C2 | H5 | 61.1° | 60.1° |
| H3 | C1 | C2 | H4 | 61.0° | 59.9° |
| H3 | C1 | C2 | H5 | 178.9° | 180.0° |
| H4 | C2 | C3 | H6 | 34.2° | 180.0° |
| H4 | C2 | C3 | H7 | 152.5° | 60.0° |
| H5 | C2 | C3 | H6 | 152.0° | 60.0° |
| H5 | C2 | C3 | H7 | 89.7° | 180.0° |
| H6 | C3 | C4 | H8 | 146.5° | 179.9° |
| H6 | C3 | C4 | H9 | 95.7° | 59.9° |
| H7 | C3 | C4 | H8 | 28.2° | 60.0° |
| H7 | C3 | C4 | H9 | 146.0° | 180.0° |
| H8 | C4 | C5 | H10 | 44.0° | 180.0° |
| H8 | C4 | C5 | H11 | 73.9° | 60.0° |
| H9 | C4 | C5 | H10 | 73.9° | 60.0° |
| H9 | C4 | C5 | H11 | 168.3° | 179.9° |
| H10 | C5 | C6 | H12 | 123.4° | 180.0° |
| H10 | C5 | C6 | H63 | 118.7° | 60.0° |
| H11 | C5 | C6 | H12 | 118.7° | 59.9° |
| H11 | C5 | C6 | H63 | 0.8° | 180.0° |
| H12 | C6 | C7 | H13 | 168.5° | 180.0° |
| H12 | C6 | C7 | H64 | 50.4° | 59.9° |
| H13 | C7 | C8 | H14 | 157.9° | 180.0° |
| H13 | C7 | C8 | H15 | 39.5° | 60.0° |
| H13 | C7 | C6 | H63 | 73.6° | 59.9° |
| H14 | C8 | C9 | H16 | 111.1° | 179.9° |
| H14 | C8 | C9 | H17 | 6.2° | 60.0° |
| H14 | C8 | C7 | H64 | 83.9° | 60.0° |
| H15 | C8 | C9 | H16 | 130.5° | 60.0° |
| H15 | C8 | C9 | H17 | 112.2° | 180.0° |
| H15 | C8 | C7 | H64 | 157.7° | 180.0° |
| H16 | C9 | C10 | H18 | 0.6° | 180.0° |
| H16 | C9 | C10 | H19 | 119.2° | 59.9° |
| H17 | C9 | C10 | H18 | 117.8° | 59.9° |
| H17 | C9 | C10 | H19 | 123.6° | 180.0° |
| H18 | C10 | C11 | H20 | 170.3° | 180.0° |
| H18 | C10 | C11 | H21 | 52.9° | 60.0° |
| H19 | C10 | C11 | H20 | 71.1° | 60.0° |
| H19 | C10 | C11 | H21 | 171.5° | 180.0° |
| H20 | C11 | C12 | H22 | 155.8° | 180.0° |
| H20 | C11 | C12 | H23 | 85.3° | 60.0° |
| H21 | C11 | C12 | H22 | 38.4° | 60.0° |
| H21 | C11 | C12 | H23 | 157.3° | 180.0° |
| H22 | C12 | C13 | H24 | 179.1° | 175.0° |
| H23 | C12 | C13 | H24 | 60.2° | 65.1° |
| H24 | C13 | C14 | H25 | 178.4° | 179.9° |
| H25 | C14 | C15 | H26 | 175.0° | 65.1° |
| H26 | C15 | C16 | H27 | 177.7° | 177.8° |
| H26 | C15 | O6 | H62 | 64.7° | 173.8° |
| H27 | C16 | C17 | H28 | 59.6° | 55.6° |
| H27 | C16 | C17 | H29 | 179.6° | 64.4° |
| H27 | C16 | N2 | H38 | 165.6° | 144.9° |
| H31 | C18 | C19 | H33 | 47.1° | 65.0° |
| H31 | C18 | C19 | H34 | 72.4° | 175.0° |
| H32 | C18 | C19 | H33 | 71.9° | 55.0° |
| H32 | C18 | C19 | H34 | 168.7° | 65.1° |
| H33 | C19 | N1 | H35 | 59.7° | 60.0° |
| H33 | C19 | N1 | H36 | 60.3° | 176.1° |
| H34 | C19 | N1 | H35 | 59.8° | 60.0° |
| H34 | C19 | N1 | H36 | 179.8° | 63.9° |
| H39 | C21 | C22 | H41 | 58.5° | 180.0° |
| H39 | C21 | C22 | H42 | 177.1° | 60.0° |
| H40 | C21 | C22 | H41 | 60.7° | 60.0° |
| H40 | C21 | C22 | H42 | 57.9° | 180.0° |
| H41 | C22 | C23 | H43 | 170.4° | 180.0° |
| H41 | C22 | C23 | H44 | 70.4° | 60.0° |
| H42 | C22 | C23 | H43 | 51.7° | 60.0° |
| H42 | C22 | C23 | H44 | 171.0° | 180.0° |
| H43 | C23 | C24 | H45 | 47.3° | 180.0° |
| H43 | C23 | C24 | H46 | 71.3° | 60.0° |
| H44 | C23 | C24 | H45 | 166.6° | 60.0° |
| H44 | C23 | C24 | H46 | 48.0° | 180.0° |
| H45 | C24 | C25 | H47 | 152.6° | 179.9° |
| H45 | C24 | C25 | H48 | 34.8° | 60.1° |
| H46 | C24 | C25 | H47 | 88.7° | 60.0° |
| H46 | C24 | C25 | H48 | 153.4° | 180.0° |
| H47 | C25 | C26 | H49 | 173.6° | 180.0° |
| H47 | C25 | C26 | H50 | 68.3° | 60.0° |
| H48 | C25 | C26 | H49 | 68.6° | 60.0° |
| H48 | C25 | C26 | H50 | 49.6° | 180.0° |
| H49 | C26 | C27 | H51 | 80.6° | 180.0° |
| H49 | C26 | C27 | H52 | 36.8° | 60.0° |
| H50 | C26 | C27 | H51 | 161.3° | 60.0° |
| H50 | C26 | C27 | H52 | 81.3° | 180.0° |
| H51 | C27 | C28 | H53 | 75.3° | NaN° |
| H51 | C27 | C28 | H54 | 42.6° | 60.0° |
| H52 | C27 | C28 | H53 | 167.3° | 60.0° |
| H52 | C27 | C28 | H54 | 74.8° | 180.0° |
| H53 | C28 | C29 | H55 | 6.0° | 180.0° |
| H53 | C28 | C29 | H56 | 111.1° | 60.0° |
| H54 | C28 | C29 | H55 | 112.0° | 60.0° |
| H54 | C28 | C29 | H56 | 131.0° | 180.0° |
| H55 | C29 | C30 | H57 | 156.0° | 179.9° |
| H55 | C29 | C30 | H58 | 37.8° | 60.0° |
| H56 | C29 | C30 | H57 | 86.9° | 60.0° |
| H56 | C29 | C30 | H58 | 154.8° | 179.9° |
| H57 | C30 | C31 | H59 | 59.1° | 60.0° |
| H57 | C30 | C31 | H60 | 179.1° | 180.0° |
| H57 | C30 | C31 | H61 | 60.9° | 60.0° |
| H58 | C30 | C31 | H59 | 59.1° | 60.1° |
| H58 | C30 | C31 | H60 | 60.9° | 60.0° |
| H58 | C30 | C31 | H61 | 179.1° | 180.0° |
| H59 | C31 | H60 | H61 | 120.0° | 120.0° |
| H63 | C6 | C7 | H64 | 168.3° | 180.0° |
