A1IIT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | P1 | doub | 1.48Å | 1.51Å | |
| O10 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O7 | sing | 1.61Å | 1.65Å | |
| P1 | O9 | sing | 1.61Å | 1.51Å | |
| O7 | C13 | sing | 1.43Å | 1.41Å | |
| O11 | C14 | sing | 1.43Å | 1.40Å | |
| O16 | P2 | doub | 1.48Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| O13 | P2 | sing | 1.61Å | 1.65Å | |
| O13 | C16 | sing | 1.43Å | 1.40Å | |
| C12 | O6 | sing | 1.43Å | 1.40Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| O12 | C15 | sing | 1.43Å | 1.40Å | |
| P2 | O14 | sing | 1.61Å | 1.51Å | |
| P2 | O15 | sing | 1.61Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | O5 | sing | 1.43Å | 1.40Å | |
| O5 | P | sing | 1.61Å | 1.64Å | |
| O3 | P | doub | 1.48Å | 1.51Å | |
| P | O4 | sing | 1.61Å | 1.51Å | |
| P | O2 | sing | 1.61Å | 1.65Å | |
| O2 | C10 | sing | 1.43Å | 1.40Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | O17 | sing | 1.45Å | 1.40Å | |
| O1 | C7 | sing | 1.34Å | 1.40Å | |
| O1 | C8 | sing | 1.45Å | 1.40Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C7 | O | doub | 1.21Å | 1.18Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| O17 | C17 | sing | 1.34Å | 1.40Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C17 | O18 | doub | 1.21Å | 1.18Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | 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 | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C2 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| O10 | H42 | sing | 0.97Å | 0.95Å | |
| O11 | H43 | sing | 0.97Å | 0.95Å | |
| O12 | H44 | sing | 0.97Å | 0.95Å | |
| O14 | H45 | sing | 0.97Å | 0.95Å | |
| O15 | H46 | sing | 0.97Å | 0.95Å | |
| O4 | H47 | sing | 0.97Å | 0.95Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| O9 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | P1 | O10 | 109.2° | 109.5° |
| O8 | P1 | O7 | 108.9° | 109.5° |
| O8 | P1 | O9 | 109.0° | 109.5° |
| O10 | P1 | O7 | 109.9° | 109.4° |
| O10 | P1 | O9 | 109.5° | 109.5° |
| P1 | O10 | H42 | 109.5° | 114.0° |
| O7 | P1 | O9 | 110.3° | 109.5° |
| P1 | O7 | C13 | 121.0° | 123.0° |
| P1 | O9 | H49 | 109.5° | 114.0° |
| O7 | C13 | C14 | 109.4° | 109.5° |
| O7 | C13 | C12 | 107.1° | 109.5° |
| O7 | C13 | H11 | 110.8° | 109.4° |
| O11 | C14 | C13 | 110.3° | 109.5° |
| O11 | C14 | C15 | 108.9° | 109.5° |
| O11 | C14 | H29 | 109.7° | 109.4° |
| C14 | O11 | H43 | 109.5° | 114.0° |
| O16 | P2 | O13 | 108.9° | 109.5° |
| O16 | P2 | O14 | 109.1° | 109.4° |
| O16 | P2 | O15 | 109.7° | 109.5° |
| C13 | C14 | C15 | 112.1° | 109.5° |
| C14 | C13 | C12 | 111.6° | 109.5° |
| C14 | C13 | H11 | 109.0° | 109.5° |
| C13 | C14 | H29 | 107.9° | 109.4° |
| C14 | C15 | O12 | 109.1° | 109.5° |
| C14 | C15 | C16 | 110.1° | 109.5° |
| C14 | C15 | H12 | 108.9° | 109.4° |
| C15 | C14 | H29 | 107.9° | 109.5° |
| C13 | C12 | O6 | 109.4° | 109.5° |
| C13 | C12 | C11 | 113.1° | 109.4° |
| C12 | C13 | H11 | 109.0° | 109.5° |
| C13 | C12 | H28 | 107.7° | 109.5° |
| P2 | O13 | C16 | 120.4° | 123.0° |
| O13 | P2 | O14 | 109.5° | 109.5° |
| O13 | P2 | O15 | 110.2° | 109.5° |
| O13 | C16 | C15 | 107.2° | 109.4° |
| O13 | C16 | C11 | 107.9° | 109.5° |
| O13 | C16 | H30 | 112.0° | 109.4° |
| O6 | C12 | C11 | 109.3° | 109.5° |
| O6 | C12 | H28 | 109.5° | 109.5° |
| C12 | O6 | H48 | 109.5° | 114.0° |
| C12 | C11 | C16 | 111.8° | 109.5° |
| C12 | C11 | O5 | 109.1° | 109.4° |
| C12 | C11 | H27 | 108.4° | 109.5° |
| C11 | C12 | H28 | 107.7° | 109.4° |
| O12 | C15 | C16 | 109.1° | 109.5° |
| O12 | C15 | H12 | 110.7° | 109.5° |
| C15 | O12 | H44 | 109.5° | 114.0° |
| O14 | P2 | O15 | 109.4° | 109.5° |
| P2 | O14 | H45 | 109.5° | 114.0° |
| P2 | O15 | H46 | 109.5° | 114.0° |
| C15 | C16 | C11 | 109.4° | 109.5° |
| C16 | C15 | H12 | 108.9° | 109.5° |
| C15 | C16 | H30 | 110.1° | 109.5° |
| C16 | C11 | O5 | 108.8° | 109.5° |
| C16 | C11 | H27 | 108.5° | 109.5° |
| C11 | C16 | H30 | 110.1° | 109.5° |
| C11 | O5 | P | 117.6° | 123.0° |
| O5 | C11 | H27 | 110.3° | 109.4° |
| O5 | P | O3 | 109.2° | 109.5° |
| O5 | P | O4 | 109.2° | 109.4° |
| O5 | P | O2 | 108.9° | 109.5° |
| O3 | P | O4 | 110.3° | 109.5° |
| O3 | P | O2 | 109.6° | 109.5° |
| O4 | P | O2 | 109.7° | 109.5° |
| P | O4 | H47 | 109.5° | 114.0° |
| P | O2 | C10 | 118.1° | 123.0° |
| O2 | C10 | C9 | 108.7° | 109.5° |
| O2 | C10 | H9 | 109.7° | 109.4° |
| O2 | C10 | H10 | 109.7° | 109.4° |
| C10 | C9 | C8 | 110.2° | 109.5° |
| C10 | C9 | O17 | 109.4° | 109.5° |
| C9 | C10 | H9 | 109.7° | 109.5° |
| C9 | C10 | H10 | 109.7° | 109.5° |
| C10 | C9 | H41 | 107.8° | 109.5° |
| C6 | C5 | C4 | 112.2° | 109.5° |
| C5 | C6 | C7 | 112.6° | 109.4° |
| C6 | C5 | H3 | 108.8° | 109.4° |
| C6 | C5 | H4 | 108.8° | 109.5° |
| C5 | C6 | H5 | 108.7° | 109.4° |
| C5 | C6 | H6 | 108.7° | 109.5° |
| C5 | C4 | C3 | 112.3° | 109.5° |
| C5 | C4 | H1 | 108.8° | 109.5° |
| C5 | C4 | H2 | 108.8° | 109.5° |
| C4 | C5 | H3 | 108.8° | 109.5° |
| C4 | C5 | H4 | 108.8° | 109.5° |
| C8 | C9 | O17 | 112.0° | 109.5° |
| C9 | C8 | O1 | 108.9° | 109.5° |
| C9 | C8 | H7 | 109.6° | 109.5° |
| C9 | C8 | H8 | 109.6° | 109.4° |
| C8 | C9 | H41 | 107.8° | 109.5° |
| C9 | O17 | C17 | 116.7° | 117.0° |
| O17 | C9 | H41 | 109.5° | 109.4° |
| C7 | O1 | C8 | 116.0° | 117.0° |
| O1 | C7 | C6 | 119.5° | 120.0° |
| O1 | C7 | O | 121.0° | 120.0° |
| O1 | C8 | H7 | 109.6° | 109.5° |
| O1 | C8 | H8 | 109.6° | 109.5° |
| C6 | C7 | O | 119.5° | 120.0° |
| C7 | C6 | H5 | 108.7° | 109.5° |
| C7 | C6 | H6 | 108.7° | 109.5° |
| C3 | C2 | C1 | 112.5° | 109.5° |
| C2 | C3 | C4 | 112.3° | 109.5° |
| C3 | C2 | H35 | 108.7° | 109.5° |
| C3 | C2 | H36 | 108.7° | 109.4° |
| C2 | C3 | H39 | 108.8° | 109.5° |
| C2 | C3 | H40 | 108.8° | 109.5° |
| C2 | C1 | C | 112.1° | 109.5° |
| C2 | C1 | H25 | 108.8° | 109.5° |
| C2 | C1 | H26 | 108.8° | 109.4° |
| C1 | C2 | H35 | 108.7° | 109.5° |
| C1 | C2 | H36 | 108.8° | 109.5° |
| C3 | C4 | H1 | 108.8° | 109.4° |
| C3 | C4 | H2 | 108.8° | 109.5° |
| C4 | C3 | H39 | 108.8° | 109.4° |
| C4 | C3 | H40 | 108.8° | 109.5° |
| O17 | C17 | O18 | 118.9° | 120.0° |
| O17 | C17 | C18 | 121.8° | 120.0° |
| C1 | C | H22 | 109.5° | 109.5° |
| C1 | C | H23 | 109.5° | 109.4° |
| C1 | C | H24 | 109.5° | 109.5° |
| C | C1 | H25 | 108.8° | 109.5° |
| C | C1 | H26 | 108.8° | 109.5° |
| O18 | C17 | C18 | 119.2° | 120.0° |
| C17 | C18 | C19 | 111.7° | 109.5° |
| C17 | C18 | H31 | 108.9° | 109.4° |
| C17 | C18 | H32 | 108.9° | 109.5° |
| C18 | C19 | C20 | 113.0° | 109.5° |
| C19 | C18 | H31 | 108.9° | 109.5° |
| C19 | C18 | H32 | 108.9° | 109.5° |
| C18 | C19 | H33 | 108.6° | 109.5° |
| C18 | C19 | H34 | 108.6° | 109.5° |
| C19 | C20 | C21 | 112.6° | 109.5° |
| C19 | C20 | H13 | 108.7° | 109.5° |
| C19 | C20 | H14 | 108.7° | 109.5° |
| C20 | C19 | H33 | 108.6° | 109.5° |
| C20 | C19 | H34 | 108.6° | 109.4° |
| C20 | C21 | C22 | 112.8° | 109.5° |
| C21 | C20 | H13 | 108.7° | 109.5° |
| C21 | C20 | H14 | 108.7° | 109.5° |
| C20 | C21 | H15 | 108.6° | 109.4° |
| C20 | C21 | H16 | 108.6° | 109.4° |
| C21 | C22 | C23 | 112.5° | 109.5° |
| C22 | C21 | H15 | 108.6° | 109.5° |
| C22 | C21 | H16 | 108.6° | 109.5° |
| C21 | C22 | H17 | 108.7° | 109.5° |
| C21 | C22 | H18 | 108.7° | 109.5° |
| C22 | C23 | C24 | 112.6° | 109.4° |
| C23 | C22 | H17 | 108.7° | 109.5° |
| C23 | C22 | H18 | 108.7° | 109.5° |
| C22 | C23 | H37 | 108.7° | 109.4° |
| C22 | C23 | H38 | 108.7° | 109.4° |
| C23 | C24 | H19 | 109.5° | 109.4° |
| C23 | C24 | H20 | 109.5° | 109.4° |
| C23 | C24 | H21 | 109.4° | 109.5° |
| C24 | C23 | H37 | 108.7° | 109.5° |
| C24 | C23 | H38 | 108.7° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.6° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.4° | 109.4° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.4° | 109.5° |
| H19 | C24 | H21 | 109.5° | 109.6° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C | H23 | 109.4° | 109.5° |
| H22 | C | H24 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.4° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H35 | C2 | H36 | 109.4° | 109.5° |
| H37 | C23 | H38 | 109.5° | 109.5° |
| H39 | C3 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | P1 | O10 | O7 | 119.4° | 120.0° |
| O8 | P1 | O10 | O9 | 119.3° | 120.0° |
| O8 | P1 | O7 | O9 | 119.6° | 120.0° |
| O8 | P1 | O7 | C13 | 164.9° | 55.0° |
| O8 | P1 | O10 | H42 | 0.0° | 180.0° |
| O8 | P1 | O9 | H49 | 0.0° | 60.1° |
| O10 | P1 | O7 | O9 | 120.9° | 120.0° |
| O10 | P1 | O7 | C13 | 75.5° | 65.0° |
| O10 | P1 | O9 | H49 | 119.5° | 60.0° |
| P1 | O7 | C13 | C14 | 93.3° | 120.0° |
| P1 | O7 | C13 | C12 | 145.6° | 120.0° |
| P1 | O7 | C13 | H11 | 26.8° | 0.0° |
| O7 | P1 | O10 | H42 | 119.4° | 60.0° |
| O7 | P1 | O9 | H49 | 119.5° | 179.9° |
| O9 | P1 | O7 | C13 | 45.4° | 175.0° |
| O9 | P1 | O10 | H42 | 119.3° | 60.0° |
| O7 | C13 | C14 | O11 | 68.6° | 60.0° |
| O7 | C13 | C14 | C12 | 118.3° | 120.0° |
| O7 | C13 | C14 | H11 | 121.3° | 120.0° |
| O7 | C13 | C14 | C15 | 169.9° | 180.0° |
| O7 | C13 | C12 | H11 | 120.0° | 120.0° |
| O7 | C13 | C12 | O6 | 69.8° | 60.0° |
| O7 | C13 | C12 | C11 | 168.1° | 180.0° |
| O7 | C13 | C12 | H28 | 49.2° | 60.0° |
| O7 | C13 | C14 | H29 | 51.2° | 59.9° |
| O11 | C14 | C13 | C15 | 121.5° | 120.0° |
| O11 | C14 | C13 | H29 | 119.8° | 119.9° |
| O11 | C14 | C15 | H29 | 119.0° | 120.0° |
| O11 | C14 | C13 | C12 | 173.1° | 180.0° |
| O11 | C14 | C15 | O12 | 59.9° | 60.0° |
| O11 | C14 | C15 | C16 | 179.5° | 180.0° |
| O11 | C14 | C13 | H11 | 52.7° | 60.0° |
| O11 | C14 | C15 | H12 | 61.1° | 60.0° |
| O16 | P2 | O13 | O14 | 119.2° | 120.0° |
| O16 | P2 | O13 | O15 | 120.4° | 120.0° |
| O16 | P2 | O13 | C16 | 142.6° | 55.0° |
| O16 | P2 | O14 | O15 | 120.1° | 120.0° |
| O16 | P2 | O14 | H45 | 0.0° | 180.0° |
| O16 | P2 | O15 | H46 | 0.0° | 60.0° |
| C13 | C14 | C15 | H29 | 118.7° | 120.0° |
| C14 | C13 | C12 | H11 | 120.4° | 120.0° |
| C14 | C13 | C12 | O6 | 170.6° | 180.0° |
| C14 | C13 | C12 | C11 | 48.5° | 60.0° |
| C13 | C14 | C15 | O12 | 177.8° | 180.0° |
| C13 | C14 | C15 | C16 | 58.1° | 60.0° |
| C13 | C14 | C15 | H12 | 61.2° | 60.0° |
| C14 | C13 | C12 | H28 | 70.5° | 60.0° |
| C13 | C14 | O11 | H43 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 51.6° | 60.0° |
| C14 | C15 | C16 | O13 | 56.4° | 60.0° |
| C14 | C15 | O12 | C16 | 120.3° | 120.1° |
| C14 | C15 | O12 | H12 | 119.9° | 120.0° |
| C14 | C15 | C16 | H12 | 119.3° | 120.0° |
| C14 | C15 | C16 | C11 | 60.4° | 60.0° |
| C15 | C14 | C13 | H11 | 68.8° | 60.0° |
| C14 | C15 | C16 | H30 | 178.5° | 179.9° |
| C15 | C14 | O11 | H43 | 56.6° | 60.0° |
| C14 | C15 | O12 | H44 | 180.0° | 60.0° |
| C13 | C12 | O6 | C11 | 124.3° | 120.0° |
| C13 | C12 | O6 | H28 | 117.8° | 120.0° |
| C13 | C12 | C11 | H28 | 119.0° | 120.0° |
| C13 | C12 | C11 | C16 | 52.4° | 60.0° |
| C13 | C12 | C11 | O5 | 172.8° | 180.0° |
| C13 | C12 | C11 | H27 | 67.2° | 60.1° |
| C12 | C13 | C14 | H29 | 67.1° | 60.0° |
| C13 | C12 | O6 | H48 | 131.6° | 60.0° |
| O13 | P2 | O14 | O15 | 120.8° | 120.0° |
| P2 | O13 | C16 | C15 | 140.8° | 120.0° |
| P2 | O13 | C16 | C11 | 101.5° | 120.0° |
| P2 | O13 | C16 | H30 | 19.9° | 0.0° |
| O13 | P2 | O14 | H45 | 119.0° | 60.0° |
| O13 | P2 | O15 | H46 | 119.9° | 180.0° |
| O13 | C16 | C11 | C12 | 58.5° | 60.0° |
| O13 | C16 | C15 | O12 | 63.3° | 60.0° |
| C16 | O13 | P2 | O14 | 98.2° | 65.0° |
| C16 | O13 | P2 | O15 | 22.2° | 175.0° |
| O13 | C16 | C15 | C11 | 116.8° | 120.0° |
| O13 | C16 | C15 | H30 | 122.1° | 119.9° |
| O13 | C16 | C11 | H30 | 122.6° | 119.9° |
| O13 | C16 | C11 | O5 | 62.0° | 60.0° |
| O13 | C16 | C15 | H12 | 175.7° | 180.0° |
| O13 | C16 | C11 | H27 | 178.0° | 180.0° |
| O6 | C12 | C11 | H28 | 118.9° | 120.0° |
| O6 | C12 | C11 | C16 | 174.5° | 180.0° |
| O6 | C12 | C11 | O5 | 65.1° | 60.0° |
| O6 | C12 | C13 | H11 | 50.2° | 60.0° |
| O6 | C12 | C11 | H27 | 55.0° | 60.0° |
| C12 | C11 | C16 | C15 | 57.8° | 60.0° |
| C12 | C11 | C16 | O5 | 120.6° | 120.0° |
| C12 | C11 | C16 | H27 | 119.5° | 120.0° |
| C12 | C11 | O5 | H27 | 118.9° | 119.9° |
| C12 | C11 | O5 | P | 110.9° | 120.0° |
| C11 | C12 | C13 | H11 | 71.9° | 60.1° |
| C12 | C11 | C16 | H30 | 178.9° | 179.9° |
| C11 | C12 | O6 | H48 | 7.3° | 180.0° |
| O12 | C15 | C16 | H12 | 121.0° | 120.0° |
| O12 | C15 | C16 | C11 | 179.9° | 180.0° |
| O12 | C15 | C14 | H29 | 59.1° | 60.0° |
| O12 | C15 | C16 | H30 | 58.8° | 59.9° |
| O14 | P2 | O15 | H46 | 119.7° | 60.0° |
| O15 | P2 | O14 | H45 | 120.1° | 60.0° |
| C15 | C16 | C11 | H30 | 121.1° | 120.1° |
| C15 | C16 | C11 | O5 | 178.3° | 180.0° |
| C15 | C16 | C11 | H27 | 61.7° | 60.1° |
| C16 | C15 | C14 | H29 | 60.5° | 60.0° |
| C16 | C15 | O12 | H44 | 59.7° | 180.0° |
| C16 | C11 | O5 | H27 | 118.8° | 120.0° |
| C16 | C11 | O5 | P | 126.8° | 120.0° |
| C11 | C16 | C15 | H12 | 58.9° | 60.0° |
| C16 | C11 | C12 | H28 | 66.6° | 60.0° |
| C11 | O5 | P | O3 | 50.7° | 55.0° |
| C11 | O5 | P | O4 | 171.4° | 65.0° |
| C11 | O5 | P | O2 | 68.9° | 175.0° |
| O5 | C11 | C12 | H28 | 53.8° | 60.0° |
| O5 | C11 | C16 | H30 | 60.6° | 59.9° |
| O5 | P | O3 | O4 | 120.0° | 120.0° |
| O5 | P | O3 | O2 | 119.2° | 120.0° |
| O5 | P | O4 | O2 | 119.2° | 120.0° |
| O5 | P | O2 | C10 | 49.3° | 175.0° |
| P | O5 | C11 | H27 | 8.0° | 0.1° |
| O5 | P | O4 | H47 | 120.1° | 60.0° |
| O3 | P | O4 | O2 | 120.8° | 120.0° |
| O3 | P | O2 | C10 | 168.7° | 55.0° |
| O3 | P | O4 | H47 | 0.0° | 180.0° |
| O4 | P | O2 | C10 | 70.2° | 65.0° |
| P | O2 | C10 | C9 | 152.3° | 180.0° |
| P | O2 | C10 | H9 | 87.8° | 60.0° |
| P | O2 | C10 | H10 | 32.4° | 60.0° |
| O2 | P | O4 | H47 | 120.7° | 60.0° |
| O2 | C10 | C9 | H9 | 119.9° | 120.0° |
| O2 | C10 | C9 | H10 | 119.9° | 120.0° |
| O2 | C10 | C9 | C8 | 83.2° | 175.0° |
| O2 | C10 | C9 | O17 | 40.3° | 65.0° |
| O2 | C10 | H9 | H10 | 120.4° | 119.9° |
| O2 | C10 | C9 | H41 | 159.4° | 55.0° |
| C10 | C9 | C8 | O17 | 122.0° | 120.0° |
| C10 | C9 | C8 | H41 | 117.4° | 120.0° |
| C10 | C9 | O17 | H41 | 118.0° | 120.0° |
| C10 | C9 | C8 | O1 | 64.7° | 175.0° |
| C10 | C9 | O17 | C17 | 163.7° | 150.0° |
| C10 | C9 | C8 | H7 | 55.2° | 55.0° |
| C10 | C9 | C8 | H8 | 175.3° | 65.0° |
| C9 | C10 | H9 | H10 | 120.4° | 120.0° |
| C6 | C5 | C4 | H3 | 120.4° | 119.9° |
| C6 | C5 | C4 | H4 | 120.4° | 120.1° |
| C5 | C6 | C7 | O1 | 145.0° | 180.0° |
| C5 | C6 | C7 | H5 | 120.4° | 119.9° |
| C5 | C6 | C7 | H6 | 120.5° | 120.0° |
| C5 | C6 | C7 | O | 34.9° | 0.1° |
| C6 | C5 | C4 | C3 | 143.5° | 179.9° |
| C6 | C5 | C4 | H1 | 23.1° | 60.0° |
| C6 | C5 | C4 | H2 | 96.0° | 60.1° |
| C6 | C5 | H3 | H4 | 118.8° | 120.1° |
| C5 | C6 | H5 | H6 | 118.6° | 120.0° |
| C4 | C5 | C6 | C7 | 113.3° | 180.0° |
| C5 | C4 | C3 | C2 | 95.5° | 179.9° |
| C5 | C4 | C3 | H1 | 120.4° | 120.0° |
| C5 | C4 | C3 | H2 | 120.4° | 120.0° |
| C5 | C4 | H1 | H2 | 118.7° | 120.0° |
| C4 | C5 | H3 | H4 | 118.8° | 120.0° |
| C4 | C5 | C6 | H5 | 7.1° | 60.1° |
| C4 | C5 | C6 | H6 | 126.2° | 59.9° |
| C5 | C4 | C3 | H39 | 144.1° | 60.0° |
| C5 | C4 | C3 | H40 | 24.9° | 60.0° |
| C8 | C9 | O17 | H41 | 119.6° | 120.0° |
| C9 | C8 | O1 | C7 | 79.5° | 180.0° |
| C9 | C8 | O1 | H7 | 119.9° | 120.0° |
| C9 | C8 | O1 | H8 | 119.9° | 119.9° |
| C8 | C9 | O17 | C17 | 41.3° | 90.0° |
| C9 | C8 | H7 | H8 | 120.2° | 120.0° |
| C8 | C9 | C10 | H9 | 156.9° | 65.0° |
| C8 | C9 | C10 | H10 | 36.7° | 55.0° |
| O17 | C9 | C8 | O1 | 173.3° | 65.0° |
| C9 | O17 | C17 | O18 | 138.4° | 0.0° |
| C9 | O17 | C17 | C18 | 42.4° | 180.0° |
| O17 | C9 | C8 | H7 | 66.8° | 175.0° |
| O17 | C9 | C8 | H8 | 53.3° | 55.0° |
| O17 | C9 | C10 | H9 | 79.6° | 55.0° |
| O17 | C9 | C10 | H10 | 160.2° | 175.0° |
| O1 | C7 | C6 | O | 179.9° | 179.9° |
| O1 | C7 | C6 | H5 | 94.6° | 60.1° |
| O1 | C7 | C6 | H6 | 24.5° | 60.0° |
| C7 | O1 | C8 | H7 | 160.6° | 60.0° |
| C7 | O1 | C8 | H8 | 40.4° | 60.1° |
| C8 | O1 | C7 | C6 | 154.0° | 180.0° |
| C8 | O1 | C7 | O | 26.1° | 0.0° |
| O1 | C8 | H7 | H8 | 120.3° | 120.1° |
| O1 | C8 | C9 | H41 | 52.7° | 55.0° |
| C7 | C6 | C5 | H3 | 7.0° | 60.1° |
| C7 | C6 | C5 | H4 | 126.2° | 60.0° |
| C7 | C6 | H5 | H6 | 118.6° | 120.1° |
| C3 | C2 | C1 | H35 | 120.5° | 120.0° |
| C3 | C2 | C1 | H36 | 120.4° | 119.9° |
| C2 | C3 | C4 | H39 | 120.4° | 120.0° |
| C2 | C3 | C4 | H40 | 120.4° | 120.1° |
| C3 | C2 | C1 | C | 67.9° | 180.0° |
| C2 | C3 | C4 | H1 | 144.1° | 60.0° |
| C2 | C3 | C4 | H2 | 25.0° | 60.0° |
| C3 | C2 | C1 | H25 | 171.7° | 60.0° |
| C3 | C2 | C1 | H26 | 52.5° | 60.0° |
| C3 | C2 | H35 | H36 | 118.6° | 119.9° |
| C2 | C3 | H39 | H40 | 118.7° | 120.0° |
| C1 | C2 | C3 | C4 | 94.2° | 180.0° |
| C2 | C1 | C | H25 | 120.4° | 120.0° |
| C2 | C1 | C | H26 | 120.4° | 120.0° |
| C2 | C1 | C | H22 | 180.0° | 180.0° |
| C2 | C1 | C | H23 | 60.0° | 60.0° |
| C2 | C1 | C | H24 | 60.0° | 59.9° |
| C2 | C1 | H25 | H26 | 118.8° | 120.0° |
| C1 | C2 | H35 | H36 | 118.7° | 120.1° |
| C1 | C2 | C3 | H39 | 26.2° | 60.0° |
| C1 | C2 | C3 | H40 | 145.4° | 59.9° |
| O | C7 | C6 | H5 | 85.5° | 120.0° |
| O | C7 | C6 | H6 | 155.4° | 120.0° |
| C3 | C4 | H1 | H2 | 118.7° | 120.0° |
| C3 | C4 | C5 | H3 | 96.1° | 60.0° |
| C3 | C4 | C5 | H4 | 23.1° | 60.0° |
| C4 | C3 | C2 | H35 | 26.3° | 59.9° |
| C4 | C3 | C2 | H36 | 145.3° | 60.0° |
| C4 | C3 | H39 | H40 | 118.7° | 120.0° |
| O17 | C17 | O18 | C18 | 179.2° | 180.0° |
| O17 | C17 | C18 | C19 | 169.2° | 180.0° |
| O17 | C17 | C18 | H31 | 70.5° | 60.0° |
| O17 | C17 | C18 | H32 | 48.9° | 60.0° |
| C17 | O17 | C9 | H41 | 78.3° | 29.9° |
| C1 | C | H22 | H23 | 120.0° | 120.0° |
| C1 | C | H22 | H24 | 120.0° | 120.1° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C | C1 | H25 | H26 | 118.8° | 120.0° |
| C | C1 | C2 | H35 | 52.5° | 60.0° |
| C | C1 | C2 | H36 | 171.6° | 60.1° |
| O18 | C17 | C18 | C19 | 11.6° | 0.0° |
| O18 | C17 | C18 | H31 | 108.7° | 120.0° |
| O18 | C17 | C18 | H32 | 131.9° | 120.0° |
| C17 | C18 | C19 | H31 | 120.3° | 120.0° |
| C17 | C18 | C19 | H32 | 120.3° | 120.0° |
| C17 | C18 | C19 | C20 | 146.2° | 180.0° |
| C17 | C18 | H31 | H32 | 119.0° | 120.0° |
| C17 | C18 | C19 | H33 | 25.7° | 60.0° |
| C17 | C18 | C19 | H34 | 93.3° | 60.0° |
| C18 | C19 | C20 | H33 | 120.5° | 120.0° |
| C18 | C19 | C20 | H34 | 120.5° | 120.0° |
| C18 | C19 | C20 | C21 | 134.7° | 180.0° |
| C18 | C19 | C20 | H13 | 14.2° | 60.0° |
| C18 | C19 | C20 | H14 | 104.8° | 60.0° |
| C19 | C18 | H31 | H32 | 119.0° | 120.0° |
| C18 | C19 | H33 | H34 | 118.4° | 120.0° |
| C19 | C20 | C21 | H13 | 120.5° | 120.0° |
| C19 | C20 | C21 | H14 | 120.5° | 120.0° |
| C19 | C20 | C21 | C22 | 43.6° | 180.0° |
| C19 | C20 | H13 | H14 | 118.6° | 120.0° |
| C19 | C20 | C21 | H15 | 76.9° | 60.0° |
| C19 | C20 | C21 | H16 | 164.0° | 60.0° |
| C20 | C19 | C18 | H31 | 93.4° | 60.0° |
| C20 | C19 | C18 | H32 | 25.9° | 60.0° |
| C20 | C19 | H33 | H34 | 118.4° | 119.9° |
| C20 | C21 | C22 | H15 | 120.5° | 120.0° |
| C20 | C21 | C22 | H16 | 120.5° | 119.9° |
| C20 | C21 | C22 | C23 | 127.4° | 180.0° |
| C21 | C20 | H13 | H14 | 118.6° | 120.0° |
| C20 | C21 | H15 | H16 | 118.5° | 119.9° |
| C20 | C21 | C22 | H17 | 6.9° | 60.0° |
| C20 | C21 | C22 | H18 | 112.2° | 60.0° |
| C21 | C20 | C19 | H33 | 104.8° | 60.0° |
| C21 | C20 | C19 | H34 | 14.2° | 60.0° |
| C21 | C22 | C23 | H17 | 120.4° | 120.0° |
| C21 | C22 | C23 | H18 | 120.5° | 120.0° |
| C21 | C22 | C23 | C24 | 100.4° | 180.0° |
| C22 | C21 | C20 | H13 | 164.0° | 60.0° |
| C22 | C21 | C20 | H14 | 76.9° | 60.0° |
| C22 | C21 | H15 | H16 | 118.5° | 120.1° |
| C21 | C22 | H17 | H18 | 118.6° | 120.0° |
| C21 | C22 | C23 | H37 | 20.1° | 60.0° |
| C21 | C22 | C23 | H38 | 139.2° | 60.0° |
| C22 | C23 | C24 | H37 | 120.5° | 120.0° |
| C22 | C23 | C24 | H38 | 120.5° | 119.9° |
| C23 | C22 | C21 | H15 | 112.2° | 60.0° |
| C23 | C22 | C21 | H16 | 6.9° | 60.1° |
| C23 | C22 | H17 | H18 | 118.6° | 120.0° |
| C22 | C23 | C24 | H19 | 180.0° | 179.9° |
| C22 | C23 | C24 | H20 | 60.0° | 60.0° |
| C22 | C23 | C24 | H21 | 60.0° | 60.0° |
| C22 | C23 | H37 | H38 | 118.6° | 119.9° |
| C24 | C23 | C22 | H17 | 139.2° | 60.0° |
| C24 | C23 | C22 | H18 | 20.1° | 60.0° |
| C23 | C24 | H19 | H20 | 120.0° | 119.9° |
| C23 | C24 | H19 | H21 | 120.0° | 120.0° |
| C23 | C24 | H20 | H21 | 120.0° | 120.0° |
| C24 | C23 | H37 | H38 | 118.6° | 120.1° |
| H1 | C4 | C5 | H3 | 143.5° | 60.0° |
| H1 | C4 | C5 | H4 | 97.3° | 180.0° |
| H1 | C4 | C3 | H39 | 23.7° | 180.0° |
| H1 | C4 | C3 | H40 | 95.5° | 60.1° |
| H2 | C4 | C5 | H3 | 24.3° | 180.0° |
| H2 | C4 | C5 | H4 | 143.5° | 60.0° |
| H2 | C4 | C3 | H39 | 95.5° | 60.0° |
| H2 | C4 | C3 | H40 | 145.4° | 180.0° |
| H3 | C5 | C6 | H5 | 127.5° | 180.0° |
| H3 | C5 | C6 | H6 | 113.4° | 60.0° |
| H4 | C5 | C6 | H5 | 113.3° | 60.0° |
| H4 | C5 | C6 | H6 | 5.8° | 180.0° |
| H7 | C8 | C9 | H41 | 172.6° | 65.0° |
| H8 | C8 | C9 | H41 | 67.3° | 174.9° |
| H9 | C10 | C9 | H41 | 39.5° | 175.0° |
| H10 | C10 | C9 | H41 | 80.7° | 65.0° |
| H11 | C13 | C12 | H28 | 169.1° | 180.0° |
| H11 | C13 | C14 | H29 | 172.5° | 179.9° |
| H12 | C15 | C14 | H29 | 179.9° | 180.0° |
| H12 | C15 | C16 | H30 | 62.2° | 60.1° |
| H12 | C15 | O12 | H44 | 60.1° | 60.0° |
| H13 | C20 | C21 | H15 | 43.5° | 60.0° |
| H13 | C20 | C21 | H16 | 75.5° | 180.0° |
| H13 | C20 | C19 | H33 | 134.8° | 180.0° |
| H13 | C20 | C19 | H34 | 106.3° | 60.0° |
| H14 | C20 | C21 | H15 | 162.6° | 180.0° |
| H14 | C20 | C21 | H16 | 43.5° | 60.0° |
| H14 | C20 | C19 | H33 | 15.7° | 60.0° |
| H14 | C20 | C19 | H34 | 134.7° | 180.0° |
| H15 | C21 | C22 | H17 | 127.4° | 180.0° |
| H15 | C21 | C22 | H18 | 8.3° | 60.0° |
| H16 | C21 | C22 | H17 | 113.6° | 59.9° |
| H16 | C21 | C22 | H18 | 127.3° | 179.9° |
| H17 | C22 | C23 | H37 | 100.4° | 180.0° |
| H17 | C22 | C23 | H38 | 18.7° | 60.0° |
| H18 | C22 | C23 | H37 | 140.6° | 60.0° |
| H18 | C22 | C23 | H38 | 100.3° | 180.0° |
| H19 | C24 | H20 | H21 | 120.0° | 120.1° |
| H19 | C24 | C23 | H37 | 59.5° | 60.1° |
| H19 | C24 | C23 | H38 | 59.5° | 60.0° |
| H20 | C24 | C23 | H37 | 179.5° | 180.0° |
| H20 | C24 | C23 | H38 | 60.5° | 59.9° |
| H21 | C24 | C23 | H37 | 60.5° | 60.0° |
| H21 | C24 | C23 | H38 | 179.5° | 179.9° |
| H22 | C | H23 | H24 | 120.0° | 120.0° |
| H22 | C | C1 | H25 | 59.6° | 60.0° |
| H22 | C | C1 | H26 | 59.6° | 60.0° |
| H23 | C | C1 | H25 | 179.6° | 60.0° |
| H23 | C | C1 | H26 | 60.4° | 180.0° |
| H24 | C | C1 | H25 | 60.4° | 179.9° |
| H24 | C | C1 | H26 | 179.6° | 60.0° |
| H25 | C1 | C2 | H35 | 67.9° | 180.0° |
| H25 | C1 | C2 | H36 | 51.2° | 59.9° |
| H26 | C1 | C2 | H35 | 172.9° | 60.0° |
| H26 | C1 | C2 | H36 | 68.0° | 179.9° |
| H27 | C11 | C12 | H28 | 173.9° | 180.0° |
| H27 | C11 | C16 | H30 | 59.4° | 60.0° |
| H28 | C12 | O6 | H48 | 110.5° | 60.0° |
| H29 | C14 | O11 | H43 | 61.3° | 60.1° |
| H31 | C18 | C19 | H33 | 146.1° | 60.0° |
| H31 | C18 | C19 | H34 | 27.1° | NaN° |
| H32 | C18 | C19 | H33 | 94.6° | 180.0° |
| H32 | C18 | C19 | H34 | 146.4° | 60.0° |
| H35 | C2 | C3 | H39 | 146.7° | 60.0° |
| H35 | C2 | C3 | H40 | 94.2° | 180.0° |
| H36 | C2 | C3 | H39 | 94.3° | 180.0° |
| H36 | C2 | C3 | H40 | 24.9° | 60.0° |
