A1A44
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | P1 | doub | 1.48Å | 1.51Å | |
| P1 | O1 | sing | 1.62Å | 1.62Å | |
| P1 | O2 | sing | 1.61Å | 1.48Å | |
| P1 | O4 | sing | 1.63Å | 1.61Å | |
| O1 | C15 | sing | 1.44Å | 1.45Å | |
| O4 | C16 | sing | 1.44Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| C17 | N1 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | doub | 1.31Å | 1.31Å | |
| N1 | C18 | sing | 1.35Å | 1.35Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C18 | O5 | doub | 1.21Å | 1.24Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | 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 | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C12 | H38 | sing | 1.09Å | 1.10Å | |
| C12 | H39 | sing | 1.09Å | 1.10Å | |
| C14 | H40 | sing | 1.08Å | 1.08Å | |
| O2 | H41 | sing | 0.97Å | 0.95Å | |
| C16 | H42 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C19 | H44 | sing | 1.09Å | 1.10Å | |
| C19 | H45 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H48 | sing | 1.09Å | 1.10Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C7 | H55 | sing | 1.09Å | 1.10Å | |
| C8 | H56 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | P1 | O1 | 107.8° | 110.2° |
| O3 | P1 | O2 | 117.6° | 110.2° |
| O3 | P1 | O4 | 109.4° | 110.3° |
| O1 | P1 | O2 | 112.1° | 110.2° |
| O1 | P1 | O4 | 104.1° | 105.7° |
| P1 | O1 | C15 | 123.8° | 119.0° |
| O2 | P1 | O4 | 105.0° | 110.2° |
| P1 | O2 | H41 | 109.5° | 114.0° |
| P1 | O4 | C16 | 119.8° | 119.0° |
| O1 | C15 | C17 | 117.2° | 109.0° |
| O1 | C15 | C14 | 109.8° | 109.6° |
| O1 | C15 | H13 | 106.9° | 109.6° |
| O4 | C16 | C17 | 112.0° | 109.0° |
| O4 | C16 | H42 | 108.9° | 109.6° |
| O4 | C16 | H43 | 108.8° | 109.5° |
| C16 | C17 | C15 | 105.1° | 110.7° |
| C16 | C17 | N1 | 112.5° | 109.2° |
| C16 | C17 | H14 | 109.4° | 109.2° |
| C17 | C16 | H42 | 108.8° | 109.6° |
| C17 | C16 | H43 | 108.8° | 109.6° |
| C17 | C15 | C14 | 109.9° | 109.5° |
| C15 | C17 | N1 | 110.1° | 109.2° |
| C17 | C15 | H13 | 105.9° | 109.6° |
| C15 | C17 | H14 | 109.3° | 109.2° |
| C15 | C14 | C13 | 121.7° | 120.0° |
| C14 | C15 | H13 | 106.4° | 109.5° |
| C15 | C14 | H40 | 119.2° | 120.0° |
| C17 | N1 | C18 | 127.4° | 120.0° |
| C17 | N1 | H1 | 116.3° | 120.0° |
| N1 | C17 | H14 | 110.3° | 109.2° |
| C14 | C13 | C12 | 126.3° | 120.0° |
| C14 | C13 | H12 | 116.9° | 120.0° |
| C13 | C14 | H40 | 119.1° | 120.0° |
| N1 | C18 | O5 | 123.8° | 120.0° |
| N1 | C18 | C19 | 112.7° | 120.0° |
| C18 | N1 | H1 | 116.3° | 120.0° |
| C13 | C12 | C11 | 109.9° | 109.5° |
| C12 | C13 | H12 | 116.9° | 120.0° |
| C13 | C12 | H38 | 109.4° | 109.5° |
| C13 | C12 | H39 | 109.4° | 109.5° |
| C12 | C11 | C10 | 116.9° | 109.4° |
| C12 | C11 | H36 | 107.6° | 109.5° |
| C12 | C11 | H37 | 107.6° | 109.4° |
| C11 | C12 | H38 | 109.4° | 109.4° |
| C11 | C12 | H39 | 109.4° | 109.5° |
| O5 | C18 | C19 | 123.4° | 120.0° |
| C18 | C19 | C20 | 118.3° | 109.5° |
| C18 | C19 | H44 | 107.2° | 109.5° |
| C18 | C19 | H45 | 107.2° | 109.5° |
| C19 | C20 | C21 | 113.2° | 109.5° |
| C19 | C20 | H15 | 108.5° | 109.5° |
| C19 | C20 | H16 | 108.5° | 109.5° |
| C20 | C19 | H44 | 107.2° | 109.4° |
| C20 | C19 | H45 | 107.2° | 109.5° |
| C11 | C10 | C9 | 113.1° | 109.5° |
| C11 | C10 | H10 | 108.6° | 109.5° |
| C11 | C10 | H11 | 108.6° | 109.5° |
| C10 | C11 | H36 | 107.6° | 109.5° |
| C10 | C11 | H37 | 107.6° | 109.5° |
| C20 | C21 | C22 | 120.2° | 109.5° |
| C21 | C20 | H15 | 108.6° | 109.5° |
| C21 | C20 | H16 | 108.5° | 109.5° |
| C20 | C21 | H17 | 106.7° | 109.5° |
| C20 | C21 | H18 | 106.7° | 109.5° |
| C10 | C9 | C8 | 112.4° | 109.5° |
| C9 | C10 | H10 | 108.5° | 109.4° |
| C9 | C10 | H11 | 108.6° | 109.5° |
| C10 | C9 | H34 | 108.7° | 109.5° |
| C10 | C9 | H35 | 108.7° | 109.5° |
| C21 | C22 | C23 | 118.1° | 109.4° |
| C22 | C21 | H17 | 106.7° | 109.5° |
| C22 | C21 | H18 | 106.7° | 109.5° |
| C21 | C22 | H19 | 107.3° | 109.4° |
| C21 | C22 | H20 | 107.3° | 109.5° |
| C9 | C8 | C7 | 117.7° | 109.5° |
| C9 | C8 | H9 | 107.4° | 109.5° |
| C8 | C9 | H34 | 108.8° | 109.5° |
| C8 | C9 | H35 | 108.7° | 109.5° |
| C9 | C8 | H56 | 107.4° | 109.5° |
| C22 | C23 | C24 | 120.0° | 109.4° |
| C23 | C22 | H19 | 107.2° | 109.5° |
| C23 | C22 | H20 | 107.3° | 109.5° |
| C22 | C23 | H46 | 106.8° | 109.5° |
| C22 | C23 | H47 | 106.8° | 109.5° |
| C8 | C7 | C6 | 117.7° | 109.5° |
| C8 | C7 | H8 | 107.4° | 109.5° |
| C7 | C8 | H9 | 107.3° | 109.4° |
| C8 | C7 | H55 | 107.4° | 109.5° |
| C7 | C8 | H56 | 107.4° | 109.4° |
| C23 | C24 | C25 | 117.7° | 109.5° |
| C23 | C24 | H21 | 107.4° | 109.4° |
| C23 | C24 | H22 | 107.4° | 109.5° |
| C24 | C23 | H46 | 106.8° | 109.4° |
| C24 | C23 | H47 | 106.8° | 109.5° |
| C7 | C6 | C5 | 116.2° | 109.5° |
| C7 | C6 | H6 | 107.8° | 109.5° |
| C7 | C6 | H7 | 107.8° | 109.5° |
| C6 | C7 | H8 | 107.4° | 109.5° |
| C6 | C7 | H55 | 107.4° | 109.5° |
| C6 | C5 | C4 | 116.1° | 109.5° |
| C6 | C5 | H4 | 107.8° | 109.5° |
| C6 | C5 | H5 | 107.8° | 109.4° |
| C5 | C6 | H6 | 107.7° | 109.5° |
| C5 | C6 | H7 | 107.8° | 109.4° |
| C24 | C25 | C26 | 118.6° | 109.5° |
| C25 | C24 | H21 | 107.4° | 109.5° |
| C25 | C24 | H22 | 107.4° | 109.5° |
| C24 | C25 | H48 | 107.1° | 109.5° |
| C24 | C25 | H49 | 107.2° | 109.5° |
| C5 | C4 | C3 | 115.6° | 109.5° |
| C5 | C4 | H2 | 107.9° | 109.5° |
| C5 | C4 | H3 | 107.9° | 109.5° |
| C4 | C5 | H4 | 107.8° | 109.5° |
| C4 | C5 | H5 | 107.8° | 109.5° |
| C25 | C26 | C27 | 117.4° | 109.5° |
| C25 | C26 | H23 | 107.5° | 109.5° |
| C25 | C26 | H24 | 107.5° | 109.4° |
| C26 | C25 | H48 | 107.1° | 109.5° |
| C26 | C25 | H49 | 107.1° | 109.5° |
| C4 | C3 | C2 | 118.3° | 109.5° |
| C3 | C4 | H2 | 107.9° | 109.5° |
| C3 | C4 | H3 | 107.9° | 109.5° |
| C4 | C3 | H32 | 107.2° | 109.5° |
| C4 | C3 | H33 | 107.2° | 109.5° |
| C26 | C27 | C28 | 119.2° | 109.5° |
| C27 | C26 | H23 | 107.4° | 109.5° |
| C27 | C26 | H24 | 107.4° | 109.4° |
| C26 | C27 | H50 | 107.0° | 109.5° |
| C26 | C27 | H51 | 107.0° | 109.4° |
| C3 | C2 | C1 | 117.3° | 109.5° |
| C3 | C2 | H30 | 107.5° | 109.5° |
| C3 | C2 | H31 | 107.5° | 109.5° |
| C2 | C3 | H32 | 107.3° | 109.5° |
| C2 | C3 | H33 | 107.2° | 109.5° |
| C27 | C28 | C29 | 116.7° | 109.4° |
| C27 | C28 | H25 | 107.6° | 109.4° |
| C27 | C28 | H26 | 107.6° | 109.5° |
| C28 | C27 | H50 | 107.0° | 109.5° |
| C28 | C27 | H51 | 107.0° | 109.5° |
| C2 | C1 | H27 | 109.5° | 109.5° |
| C2 | C1 | H28 | 109.5° | 109.5° |
| C2 | C1 | H29 | 109.5° | 109.4° |
| C1 | C2 | H30 | 107.5° | 109.5° |
| C1 | C2 | H31 | 107.5° | 109.4° |
| C29 | C28 | H25 | 107.6° | 109.5° |
| C29 | C28 | H26 | 107.6° | 109.5° |
| C28 | C29 | H52 | 109.5° | 109.5° |
| C28 | C29 | H53 | 109.5° | 109.5° |
| C28 | C29 | H54 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.4° | 109.4° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C7 | H55 | 109.5° | 109.4° |
| H9 | C8 | H56 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.4° |
| H17 | C21 | H18 | 109.4° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.4° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C1 | H28 | 109.4° | 109.5° |
| H27 | C1 | H29 | 109.5° | 109.5° |
| H28 | C1 | H29 | 109.5° | 109.5° |
| H30 | C2 | H31 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.4° |
| H34 | C9 | H35 | 109.4° | 109.4° |
| H36 | C11 | H37 | 109.5° | 109.5° |
| H38 | C12 | H39 | 109.5° | 109.5° |
| H42 | C16 | H43 | 109.5° | 109.6° |
| H44 | C19 | H45 | 109.5° | 109.5° |
| H46 | C23 | H47 | 109.5° | 109.5° |
| H48 | C25 | H49 | 109.5° | 109.4° |
| H50 | C27 | H51 | 109.5° | 109.5° |
| H52 | C29 | H53 | 109.5° | 109.5° |
| H52 | C29 | H54 | 109.5° | 109.5° |
| H53 | C29 | H54 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P1 | O1 | O2 | 131.0° | 121.8° |
| O3 | P1 | O1 | O4 | 116.1° | 119.2° |
| O3 | P1 | O2 | O4 | 121.8° | 121.9° |
| O3 | P1 | O1 | C15 | 146.9° | 80.4° |
| O3 | P1 | O4 | C16 | 114.3° | 80.4° |
| O3 | P1 | O2 | H41 | 0.0° | 58.1° |
| O1 | P1 | O2 | O4 | 112.4° | 116.3° |
| O1 | P1 | O4 | C16 | 0.7° | 38.7° |
| P1 | O1 | C15 | C17 | 11.7° | 52.7° |
| P1 | O1 | C15 | C14 | 114.6° | 172.6° |
| P1 | O1 | C15 | H13 | 130.4° | 67.2° |
| O1 | P1 | O2 | H41 | 125.8° | 180.0° |
| O2 | P1 | O1 | C15 | 82.2° | 157.8° |
| O2 | P1 | O4 | C16 | 118.7° | 157.8° |
| O4 | P1 | O1 | C15 | 30.8° | 38.8° |
| P1 | O4 | C16 | C17 | 50.1° | 52.7° |
| O4 | P1 | O2 | H41 | 121.8° | 63.8° |
| P1 | O4 | C16 | H42 | 70.3° | 172.6° |
| P1 | O4 | C16 | H43 | 170.5° | 67.2° |
| O1 | C15 | C17 | C16 | 37.2° | 63.2° |
| O1 | C15 | C17 | C14 | 126.3° | 119.9° |
| O1 | C15 | C17 | H13 | 119.1° | 120.0° |
| O1 | C15 | C14 | H13 | 115.3° | 120.3° |
| O1 | C15 | C17 | N1 | 158.6° | 176.5° |
| O1 | C15 | C14 | C13 | 145.6° | 5.4° |
| O1 | C15 | C17 | H14 | 80.1° | 57.1° |
| O1 | C15 | C14 | H40 | 34.4° | 174.5° |
| O4 | C16 | C17 | H42 | 120.4° | 119.9° |
| O4 | C16 | C17 | H43 | 120.4° | 119.9° |
| O4 | C16 | C17 | C15 | 68.0° | 63.2° |
| O4 | C16 | C17 | N1 | 172.2° | 176.5° |
| O4 | C16 | C17 | H14 | 49.3° | 57.2° |
| O4 | C16 | H42 | H43 | 118.8° | 120.2° |
| C16 | C17 | C15 | N1 | 121.4° | 120.3° |
| C16 | C17 | C15 | H14 | 117.3° | 120.3° |
| C16 | C17 | C15 | C14 | 163.5° | 176.9° |
| C16 | C17 | N1 | H14 | 122.4° | 119.4° |
| C16 | C17 | N1 | C18 | 111.6° | 83.8° |
| C16 | C17 | N1 | H1 | 68.4° | 96.5° |
| C16 | C17 | C15 | H13 | 82.0° | 56.8° |
| C17 | C16 | H42 | H43 | 118.8° | 120.2° |
| C17 | C15 | C14 | H13 | 114.3° | 120.2° |
| C15 | C17 | N1 | H14 | 120.7° | 119.4° |
| C17 | C15 | C14 | C13 | 84.0° | 125.0° |
| C15 | C17 | N1 | C18 | 131.5° | 155.0° |
| C15 | C17 | N1 | H1 | 48.5° | 24.7° |
| C17 | C15 | C14 | H40 | 96.0° | 54.9° |
| C15 | C17 | C16 | H42 | 52.4° | 177.0° |
| C15 | C17 | C16 | H43 | 171.6° | 56.7° |
| C14 | C15 | C17 | N1 | 75.1° | 56.6° |
| C15 | C14 | C13 | H40 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 172.0° | 180.0° |
| C15 | C14 | C13 | H12 | 8.0° | 0.0° |
| C14 | C15 | C17 | H14 | 46.2° | 62.8° |
| C17 | N1 | C18 | H1 | 180.0° | 179.7° |
| C17 | N1 | C18 | O5 | 6.8° | 0.4° |
| C17 | N1 | C18 | C19 | 172.5° | 179.7° |
| N1 | C17 | C15 | H13 | 39.4° | 63.5° |
| N1 | C17 | C16 | H42 | 67.4° | 56.7° |
| N1 | C17 | C16 | H43 | 51.8° | 63.6° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 145.5° | 125.0° |
| C13 | C14 | C15 | H13 | 30.2° | 114.9° |
| C14 | C13 | C12 | H38 | 25.4° | 115.0° |
| C14 | C13 | C12 | H39 | 94.5° | 5.0° |
| N1 | C18 | O5 | C19 | 179.3° | 179.9° |
| N1 | C18 | C19 | C20 | 177.0° | 179.9° |
| C18 | N1 | C17 | H14 | 10.8° | 35.6° |
| N1 | C18 | C19 | H44 | 55.7° | 60.0° |
| N1 | C18 | C19 | H45 | 61.7° | 60.0° |
| C13 | C12 | C11 | H38 | 120.1° | 120.0° |
| C13 | C12 | C11 | H39 | 120.1° | 120.0° |
| C13 | C12 | C11 | C10 | 178.1° | 180.0° |
| C13 | C12 | C11 | H36 | 57.0° | 60.0° |
| C13 | C12 | C11 | H37 | 60.9° | 60.0° |
| C13 | C12 | H38 | H39 | 119.8° | 120.0° |
| C12 | C13 | C14 | H40 | 8.0° | 0.1° |
| C12 | C11 | C10 | H36 | 121.1° | 120.0° |
| C12 | C11 | C10 | H37 | 121.1° | 119.9° |
| C12 | C11 | C10 | C9 | 173.6° | 180.0° |
| C12 | C11 | C10 | H10 | 53.1° | 60.0° |
| C12 | C11 | C10 | H11 | 65.9° | 60.0° |
| C11 | C12 | C13 | H12 | 34.6° | 54.9° |
| C12 | C11 | H36 | H37 | 116.7° | 120.0° |
| C11 | C12 | H38 | H39 | 119.8° | 120.0° |
| O5 | C18 | C19 | C20 | 2.4° | 0.0° |
| O5 | C18 | N1 | H1 | 173.2° | 179.9° |
| O5 | C18 | C19 | H44 | 123.6° | 119.9° |
| O5 | C18 | C19 | H45 | 118.9° | 120.1° |
| C18 | C19 | C20 | H44 | 121.3° | 120.0° |
| C18 | C19 | C20 | H45 | 121.3° | 120.0° |
| C18 | C19 | C20 | C21 | 156.4° | 180.0° |
| C19 | C18 | N1 | H1 | 7.5° | 0.0° |
| C18 | C19 | C20 | H15 | 83.0° | 60.0° |
| C18 | C19 | C20 | H16 | 35.9° | 60.0° |
| C18 | C19 | H44 | H45 | 116.0° | 120.0° |
| C19 | C20 | C21 | H15 | 120.6° | 120.0° |
| C19 | C20 | C21 | H16 | 120.5° | 120.1° |
| C19 | C20 | C21 | C22 | 137.0° | 179.9° |
| C19 | C20 | H15 | H16 | 118.3° | 120.0° |
| C19 | C20 | C21 | H17 | 101.5° | 60.0° |
| C19 | C20 | C21 | H18 | 15.4° | 60.0° |
| C20 | C19 | H44 | H45 | 116.0° | 120.0° |
| C11 | C10 | C9 | H10 | 120.5° | 120.0° |
| C11 | C10 | C9 | H11 | 120.5° | 120.0° |
| C11 | C10 | C9 | C8 | 175.6° | 180.0° |
| C11 | C10 | H10 | H11 | 118.4° | 120.0° |
| C11 | C10 | C9 | H34 | 55.2° | 60.0° |
| C11 | C10 | C9 | H35 | 63.9° | 60.0° |
| C10 | C11 | H36 | H37 | 116.6° | 120.1° |
| C10 | C11 | C12 | H38 | 61.9° | 60.0° |
| C10 | C11 | C12 | H39 | 58.0° | 60.0° |
| C20 | C21 | C22 | H17 | 121.5° | 120.0° |
| C20 | C21 | C22 | H18 | 121.6° | 120.0° |
| C20 | C21 | C22 | C23 | 42.3° | 180.0° |
| C21 | C20 | H15 | H16 | 118.3° | 120.0° |
| C20 | C21 | H17 | H18 | 115.1° | 120.0° |
| C20 | C21 | C22 | H19 | 163.5° | 60.0° |
| C20 | C21 | C22 | H20 | 79.0° | 60.0° |
| C21 | C20 | C19 | H44 | 35.1° | 60.0° |
| C21 | C20 | C19 | H45 | 82.3° | 59.9° |
| C10 | C9 | C8 | H34 | 120.5° | 120.0° |
| C10 | C9 | C8 | H35 | 120.5° | 120.0° |
| C10 | C9 | C8 | C7 | 167.4° | 180.0° |
| C10 | C9 | C8 | H9 | 71.4° | 60.0° |
| C9 | C10 | H10 | H11 | 118.4° | 120.0° |
| C10 | C9 | H34 | H35 | 118.6° | 120.0° |
| C9 | C10 | C11 | H36 | 65.4° | 60.0° |
| C9 | C10 | C11 | H37 | 52.5° | 60.0° |
| C10 | C9 | C8 | H56 | 46.2° | 60.0° |
| C21 | C22 | C23 | H19 | 121.2° | 119.9° |
| C21 | C22 | C23 | H20 | 121.2° | 120.0° |
| C21 | C22 | C23 | C24 | 158.8° | 180.0° |
| C22 | C21 | C20 | H15 | 16.4° | 60.0° |
| C22 | C21 | C20 | H16 | 102.5° | 60.0° |
| C22 | C21 | H17 | H18 | 115.1° | 120.0° |
| C21 | C22 | H19 | H20 | 116.1° | 120.0° |
| C21 | C22 | C23 | H46 | 79.7° | 60.1° |
| C21 | C22 | C23 | H47 | 37.3° | 60.0° |
| C9 | C8 | C7 | H9 | 121.2° | 120.0° |
| C9 | C8 | C7 | H56 | 121.2° | 120.0° |
| C9 | C8 | C7 | C6 | 10.6° | 180.0° |
| C9 | C8 | C7 | H8 | 110.6° | 60.0° |
| C9 | C8 | H9 | H56 | 116.3° | 120.0° |
| C8 | C9 | C10 | H10 | 63.9° | 60.0° |
| C8 | C9 | C10 | H11 | 55.1° | 60.0° |
| C8 | C9 | H34 | H35 | 118.7° | 120.0° |
| C9 | C8 | C7 | H55 | 131.8° | 60.0° |
| C22 | C23 | C24 | H46 | 121.5° | 120.0° |
| C22 | C23 | C24 | H47 | 121.5° | 120.0° |
| C22 | C23 | C24 | C25 | 156.7° | 180.0° |
| C23 | C22 | C21 | H17 | 79.2° | 60.0° |
| C23 | C22 | C21 | H18 | 163.8° | 60.0° |
| C23 | C22 | H19 | H20 | 116.1° | 120.1° |
| C22 | C23 | C24 | H21 | 82.1° | 60.0° |
| C22 | C23 | C24 | H22 | 35.5° | 60.0° |
| C22 | C23 | H46 | H47 | 115.2° | 120.1° |
| C8 | C7 | C6 | H8 | 121.2° | 120.0° |
| C8 | C7 | C6 | H55 | 121.2° | 120.0° |
| C8 | C7 | C6 | C5 | 170.2° | 180.0° |
| C8 | C7 | C6 | H6 | 68.8° | 60.0° |
| C8 | C7 | C6 | H7 | 49.2° | 60.0° |
| C8 | C7 | H8 | H55 | 116.3° | 120.0° |
| C7 | C8 | H9 | H56 | 116.3° | 119.9° |
| C7 | C8 | C9 | H34 | 47.0° | 60.0° |
| C7 | C8 | C9 | H35 | 72.1° | 60.0° |
| C23 | C24 | C25 | H21 | 121.2° | 120.0° |
| C23 | C24 | C25 | H22 | 121.2° | 120.0° |
| C23 | C24 | C25 | C26 | 127.0° | 179.9° |
| C24 | C23 | C22 | H19 | 37.6° | 60.1° |
| C24 | C23 | C22 | H20 | 80.0° | 60.0° |
| C23 | C24 | H21 | H22 | 116.2° | 120.0° |
| C24 | C23 | H46 | H47 | 115.3° | 120.0° |
| C23 | C24 | C25 | H48 | 111.7° | 60.0° |
| C23 | C24 | C25 | H49 | 5.7° | 60.0° |
| C7 | C6 | C5 | H6 | 121.0° | 120.0° |
| C7 | C6 | C5 | H7 | 121.0° | 120.0° |
| C7 | C6 | C5 | C4 | 129.4° | 180.0° |
| C7 | C6 | C5 | H4 | 8.4° | 59.9° |
| C7 | C6 | C5 | H5 | 109.6° | 60.0° |
| C7 | C6 | H6 | H7 | 116.9° | 120.0° |
| C6 | C7 | H8 | H55 | 116.3° | 120.0° |
| C6 | C7 | C8 | H9 | 131.8° | 60.0° |
| C6 | C7 | C8 | H56 | 110.6° | 60.0° |
| C6 | C5 | C4 | H4 | 121.0° | 120.1° |
| C6 | C5 | C4 | H5 | 120.9° | 120.0° |
| C6 | C5 | C4 | C3 | 154.6° | 180.0° |
| C6 | C5 | C4 | H2 | 84.5° | 60.0° |
| C6 | C5 | C4 | H3 | 33.6° | 60.0° |
| C6 | C5 | H4 | H5 | 117.0° | 119.9° |
| C5 | C6 | H6 | H7 | 116.9° | 120.0° |
| C5 | C6 | C7 | H8 | 49.0° | 60.0° |
| C5 | C6 | C7 | H55 | 68.6° | 60.0° |
| C24 | C25 | C26 | H48 | 121.3° | 120.1° |
| C24 | C25 | C26 | H49 | 121.3° | 120.0° |
| C24 | C25 | C26 | C27 | 77.0° | 180.0° |
| C25 | C24 | H21 | H22 | 116.3° | 120.0° |
| C24 | C25 | C26 | H23 | 44.1° | 59.9° |
| C24 | C25 | C26 | H24 | 161.9° | 60.0° |
| C25 | C24 | C23 | H46 | 35.3° | 60.0° |
| C25 | C24 | C23 | H47 | 81.8° | 60.0° |
| C24 | C25 | H48 | H49 | 115.9° | 120.0° |
| C5 | C4 | C3 | H2 | 120.9° | 120.0° |
| C5 | C4 | C3 | H3 | 120.9° | 120.0° |
| C5 | C4 | C3 | C2 | 103.9° | 180.0° |
| C5 | C4 | H2 | H3 | 117.2° | 120.0° |
| C4 | C5 | H4 | H5 | 117.0° | 120.0° |
| C4 | C5 | C6 | H6 | 109.6° | 60.0° |
| C4 | C5 | C6 | H7 | 8.4° | 60.0° |
| C5 | C4 | C3 | H32 | 17.3° | 60.0° |
| C5 | C4 | C3 | H33 | 134.8° | 60.0° |
| C25 | C26 | C27 | H23 | 121.1° | 120.1° |
| C25 | C26 | C27 | H24 | 121.1° | 119.9° |
| C25 | C26 | C27 | C28 | 130.6° | 179.9° |
| C26 | C25 | C24 | H21 | 5.8° | 60.0° |
| C26 | C25 | C24 | H22 | 111.8° | 60.0° |
| C25 | C26 | H23 | H24 | 116.4° | 120.0° |
| C26 | C25 | H48 | H49 | 115.9° | 120.0° |
| C25 | C26 | C27 | H50 | 9.2° | 60.0° |
| C25 | C26 | C27 | H51 | 108.0° | 60.0° |
| C4 | C3 | C2 | H32 | 121.2° | 120.0° |
| C4 | C3 | C2 | H33 | 121.3° | 120.0° |
| C4 | C3 | C2 | C1 | 145.4° | 180.0° |
| C3 | C4 | H2 | H3 | 117.2° | 120.0° |
| C3 | C4 | C5 | H4 | 33.6° | 60.0° |
| C3 | C4 | C5 | H5 | 84.5° | 60.0° |
| C4 | C3 | C2 | H30 | 24.2° | 60.0° |
| C4 | C3 | C2 | H31 | 93.5° | 60.0° |
| C4 | C3 | H32 | H33 | 116.0° | 120.0° |
| C26 | C27 | C28 | H50 | 121.4° | 120.0° |
| C26 | C27 | C28 | H51 | 121.4° | 120.0° |
| C26 | C27 | C28 | C29 | 42.0° | 180.0° |
| C27 | C26 | H23 | H24 | 116.4° | 120.0° |
| C26 | C27 | C28 | H25 | 79.0° | 60.0° |
| C26 | C27 | C28 | H26 | 163.1° | 60.0° |
| C27 | C26 | C25 | H48 | 161.7° | 59.9° |
| C27 | C26 | C25 | H49 | 44.3° | 60.0° |
| C26 | C27 | H50 | H51 | 115.6° | 119.9° |
| C3 | C2 | C1 | H30 | 121.1° | 120.0° |
| C3 | C2 | C1 | H31 | 121.1° | 120.0° |
| C2 | C3 | C4 | H2 | 135.2° | 60.0° |
| C2 | C3 | C4 | H3 | 17.0° | 60.0° |
| C3 | C2 | C1 | H27 | 180.0° | 60.0° |
| C3 | C2 | C1 | H28 | 60.0° | 180.0° |
| C3 | C2 | C1 | H29 | 60.0° | 60.0° |
| C3 | C2 | H30 | H31 | 116.4° | 120.0° |
| C2 | C3 | H32 | H33 | 116.0° | 120.0° |
| C27 | C28 | C29 | H25 | 121.1° | 119.9° |
| C27 | C28 | C29 | H26 | 121.0° | 120.0° |
| C28 | C27 | C26 | H23 | 108.3° | 60.0° |
| C28 | C27 | C26 | H24 | 9.4° | 60.0° |
| C27 | C28 | H25 | H26 | 116.7° | 120.0° |
| C28 | C27 | H50 | H51 | 115.6° | 120.1° |
| C27 | C28 | C29 | H52 | 180.0° | 60.0° |
| C27 | C28 | C29 | H53 | 60.0° | 180.0° |
| C27 | C28 | C29 | H54 | 60.0° | 60.0° |
| C2 | C1 | H27 | H28 | 120.0° | 120.0° |
| C2 | C1 | H27 | H29 | 120.0° | 119.9° |
| C2 | C1 | H28 | H29 | 120.0° | 120.0° |
| C1 | C2 | H30 | H31 | 116.5° | 119.9° |
| C1 | C2 | C3 | H32 | 93.4° | 60.0° |
| C1 | C2 | C3 | H33 | 24.1° | 60.0° |
| C29 | C28 | H25 | H26 | 116.7° | 120.1° |
| C29 | C28 | C27 | H50 | 163.4° | 60.0° |
| C29 | C28 | C27 | H51 | 79.3° | 60.0° |
| C28 | C29 | H52 | H53 | 120.0° | 120.0° |
| C28 | C29 | H52 | H54 | 120.0° | 120.0° |
| C28 | C29 | H53 | H54 | 120.0° | 120.0° |
| H1 | N1 | C17 | H14 | 169.2° | 144.1° |
| H2 | C4 | C5 | H4 | 154.5° | 60.1° |
| H2 | C4 | C5 | H5 | 36.4° | 180.0° |
| H2 | C4 | C3 | H32 | 103.6° | 180.0° |
| H2 | C4 | C3 | H33 | 13.9° | 60.0° |
| H3 | C4 | C5 | H4 | 87.3° | 180.0° |
| H3 | C4 | C5 | H5 | 154.6° | 60.0° |
| H3 | C4 | C3 | H32 | 138.2° | 60.0° |
| H3 | C4 | C3 | H33 | 104.3° | 180.0° |
| H4 | C5 | C6 | H6 | 129.4° | 179.9° |
| H4 | C5 | C6 | H7 | 112.6° | 60.1° |
| H5 | C5 | C6 | H6 | 11.3° | 60.0° |
| H5 | C5 | C6 | H7 | 129.4° | 180.0° |
| H6 | C6 | C7 | H8 | 170.0° | 180.0° |
| H6 | C6 | C7 | H55 | 52.4° | 60.0° |
| H7 | C6 | C7 | H8 | 72.0° | 60.0° |
| H7 | C6 | C7 | H55 | 170.4° | 180.0° |
| H8 | C7 | C8 | H9 | 10.6° | 180.0° |
| H8 | C7 | C8 | H56 | 128.2° | 60.0° |
| H9 | C8 | C9 | H34 | 168.1° | 180.0° |
| H9 | C8 | C9 | H35 | 49.0° | 60.0° |
| H9 | C8 | C7 | H55 | 107.0° | 60.0° |
| H10 | C10 | C9 | H34 | 175.7° | 180.0° |
| H10 | C10 | C9 | H35 | 56.6° | 60.0° |
| H10 | C10 | C11 | H36 | 174.1° | 180.0° |
| H10 | C10 | C11 | H37 | 68.0° | 59.9° |
| H11 | C10 | C9 | H34 | 65.4° | 60.0° |
| H11 | C10 | C9 | H35 | 175.5° | 180.0° |
| H11 | C10 | C11 | H36 | 55.2° | 60.0° |
| H11 | C10 | C11 | H37 | 173.0° | 180.0° |
| H12 | C13 | C12 | H38 | 154.6° | 65.0° |
| H12 | C13 | C12 | H39 | 85.5° | 174.9° |
| H12 | C13 | C14 | H40 | 171.9° | 179.9° |
| H13 | C15 | C17 | H14 | 160.7° | 177.1° |
| H13 | C15 | C14 | H40 | 149.8° | 65.2° |
| H14 | C17 | C16 | H42 | 169.7° | 62.7° |
| H14 | C17 | C16 | H43 | 71.1° | 177.0° |
| H15 | C20 | C21 | H17 | 137.9° | 60.0° |
| H15 | C20 | C21 | H18 | 105.1° | 180.0° |
| H15 | C20 | C19 | H44 | 155.7° | 180.0° |
| H15 | C20 | C19 | H45 | 38.3° | 60.1° |
| H16 | C20 | C21 | H17 | 19.0° | 180.0° |
| H16 | C20 | C21 | H18 | 136.0° | 60.1° |
| H16 | C20 | C19 | H44 | 85.4° | 60.0° |
| H16 | C20 | C19 | H45 | 157.1° | NaN° |
| H17 | C21 | C22 | H19 | 42.0° | 180.0° |
| H17 | C21 | C22 | H20 | 159.5° | 60.0° |
| H18 | C21 | C22 | H19 | 75.0° | 60.0° |
| H18 | C21 | C22 | H20 | 42.6° | 180.0° |
| H19 | C22 | C23 | H46 | 159.1° | 180.0° |
| H19 | C22 | C23 | H47 | 83.9° | 59.9° |
| H20 | C22 | C23 | H46 | 41.5° | 59.9° |
| H20 | C22 | C23 | H47 | 158.6° | NaN° |
| H21 | C24 | C23 | H46 | 156.5° | 180.0° |
| H21 | C24 | C23 | H47 | 39.4° | 60.0° |
| H21 | C24 | C25 | H48 | 127.1° | 179.9° |
| H21 | C24 | C25 | H49 | 115.5° | 60.0° |
| H22 | C24 | C23 | H46 | 85.9° | 60.0° |
| H22 | C24 | C23 | H47 | 157.0° | 180.0° |
| H22 | C24 | C25 | H48 | 9.5° | 60.1° |
| H22 | C24 | C25 | H49 | 126.9° | 180.0° |
| H23 | C26 | C25 | H48 | 77.1° | 180.0° |
| H23 | C26 | C25 | H49 | 165.4° | 60.1° |
| H23 | C26 | C27 | H50 | 130.3° | 180.0° |
| H23 | C26 | C27 | H51 | 13.1° | 60.1° |
| H24 | C26 | C25 | H48 | 40.6° | 60.0° |
| H24 | C26 | C25 | H49 | 76.8° | 180.0° |
| H24 | C26 | C27 | H50 | 111.9° | 60.0° |
| H24 | C26 | C27 | H51 | 130.8° | 180.0° |
| H25 | C28 | C27 | H50 | 42.4° | 180.0° |
| H25 | C28 | C27 | H51 | 159.6° | 60.0° |
| H25 | C28 | C29 | H52 | 58.9° | 59.9° |
| H25 | C28 | C29 | H53 | 179.0° | 60.1° |
| H25 | C28 | C29 | H54 | 61.1° | 180.0° |
| H26 | C28 | C27 | H50 | 75.5° | 60.0° |
| H26 | C28 | C27 | H51 | 41.7° | 180.0° |
| H26 | C28 | C29 | H52 | 59.0° | 180.0° |
| H26 | C28 | C29 | H53 | 61.0° | 60.0° |
| H26 | C28 | C29 | H54 | 179.0° | 60.0° |
| H27 | C1 | H28 | H29 | 120.0° | 120.0° |
| H27 | C1 | C2 | H30 | 58.9° | 180.0° |
| H27 | C1 | C2 | H31 | 58.9° | 60.0° |
| H28 | C1 | C2 | H30 | 178.9° | 59.9° |
| H28 | C1 | C2 | H31 | 61.1° | 60.0° |
| H29 | C1 | C2 | H30 | 61.2° | 60.0° |
| H29 | C1 | C2 | H31 | 178.9° | 180.0° |
| H30 | C2 | C3 | H32 | 145.5° | 60.1° |
| H30 | C2 | C3 | H33 | 97.0° | 180.0° |
| H31 | C2 | C3 | H32 | 27.7° | 180.0° |
| H31 | C2 | C3 | H33 | 145.2° | 60.0° |
| H34 | C9 | C8 | H56 | 74.2° | 60.0° |
| H35 | C9 | C8 | H56 | 166.7° | 179.9° |
| H36 | C11 | C12 | H38 | 177.1° | 60.0° |
| H36 | C11 | C12 | H39 | 63.1° | NaN° |
| H37 | C11 | C12 | H38 | 59.2° | 180.0° |
| H37 | C11 | C12 | H39 | 179.1° | 60.0° |
| H52 | C29 | H53 | H54 | 120.0° | 119.9° |
| H55 | C7 | C8 | H56 | 10.6° | 180.0° |
