P1O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | sing | 1.61Å | 1.47Å | |
| O1 | H1P | sing | 0.97Å | 0.95Å | |
| O2 | P1 | doub | 1.48Å | 1.48Å | |
| P1 | O3 | sing | 1.61Å | 1.59Å | |
| P1 | O4 | sing | 1.61Å | 1.60Å | |
| O3 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.09Å | |
| C1 | H2 | sing | 1.09Å | 1.09Å | |
| C2 | N1 | sing | 1.47Å | 1.51Å | |
| C2 | H3 | sing | 1.09Å | 1.09Å | |
| C2 | H4 | sing | 1.09Å | 1.09Å | |
| N1 | C3 | sing | 1.47Å | 1.50Å | |
| N1 | C4 | sing | 1.47Å | 1.49Å | |
| N1 | C5 | sing | 1.47Å | 1.49Å | |
| C3 | H5 | sing | 1.09Å | 1.09Å | |
| C3 | H6 | sing | 1.09Å | 1.09Å | |
| C3 | H7 | sing | 1.09Å | 1.09Å | |
| C4 | H8 | sing | 1.09Å | 1.09Å | |
| C4 | H9 | sing | 1.09Å | 1.09Å | |
| C4 | H10 | sing | 1.09Å | 1.09Å | |
| C5 | H11 | sing | 1.09Å | 1.09Å | |
| C5 | H12 | sing | 1.09Å | 1.09Å | |
| C5 | H13 | sing | 1.09Å | 1.09Å | |
| O4 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H14 | sing | 1.09Å | 1.09Å | |
| C6 | H15 | sing | 1.09Å | 1.09Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | O7 | sing | 1.45Å | 1.42Å | |
| C7 | H16 | sing | 1.09Å | 1.09Å | |
| C8 | O5 | sing | 1.45Å | 1.42Å | |
| C8 | H17 | sing | 1.09Å | 1.09Å | |
| C8 | H18 | sing | 1.09Å | 1.09Å | |
| O5 | C9 | sing | 1.34Å | 1.36Å | |
| C9 | O6 | doub | 1.21Å | 1.25Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H19 | sing | 1.09Å | 1.09Å | |
| C10 | H20 | sing | 1.09Å | 1.09Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H21 | sing | 1.09Å | 1.09Å | |
| C11 | H22 | sing | 1.09Å | 1.09Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H23 | sing | 1.09Å | 1.09Å | |
| C12 | H24 | sing | 1.09Å | 1.09Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H25 | sing | 1.09Å | 1.09Å | |
| C13 | H26 | sing | 1.09Å | 1.09Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H27 | sing | 1.09Å | 1.09Å | |
| C14 | H28 | sing | 1.09Å | 1.09Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H29 | sing | 1.09Å | 1.09Å | |
| C15 | H30 | sing | 1.09Å | 1.09Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | H31 | sing | 1.09Å | 1.09Å | |
| C16 | H32 | sing | 1.09Å | 1.09Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H33 | sing | 1.09Å | 1.09Å | |
| C17 | H34 | sing | 1.09Å | 1.09Å | |
| C18 | H35 | sing | 1.09Å | 1.09Å | |
| C18 | H36 | sing | 1.09Å | 1.09Å | |
| C18 | H37 | sing | 1.09Å | 1.09Å | |
| O7 | C19 | sing | 1.34Å | 1.36Å | |
| C19 | O8 | doub | 1.21Å | 1.25Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H38 | sing | 1.09Å | 1.09Å | |
| C20 | H39 | sing | 1.09Å | 1.09Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | H40 | sing | 1.09Å | 1.09Å | |
| C21 | H41 | sing | 1.09Å | 1.09Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H42 | sing | 1.09Å | 1.09Å | |
| C22 | H43 | sing | 1.09Å | 1.09Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H44 | sing | 1.09Å | 1.09Å | |
| C23 | H45 | sing | 1.09Å | 1.09Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H46 | sing | 1.09Å | 1.09Å | |
| C24 | H47 | sing | 1.09Å | 1.09Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H48 | sing | 1.09Å | 1.09Å | |
| C25 | H49 | sing | 1.09Å | 1.09Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | H50 | sing | 1.09Å | 1.09Å | |
| C26 | H51 | sing | 1.09Å | 1.09Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H52 | sing | 1.09Å | 1.09Å | |
| C27 | H53 | sing | 1.09Å | 1.09Å | |
| C28 | H54 | sing | 1.09Å | 1.09Å | |
| C28 | H55 | sing | 1.09Å | 1.09Å | |
| C28 | H56 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P1 | O1 | H1P | 120.9° | 106.9° |
| O1 | P1 | O2 | 120.9° | 109.5° |
| O1 | P1 | O3 | 108.6° | 109.4° |
| O1 | P1 | O4 | 108.3° | 109.5° |
| O2 | P1 | O3 | 107.0° | 109.4° |
| O2 | P1 | O4 | 108.2° | 109.5° |
| O3 | P1 | O4 | 102.2° | 109.5° |
| P1 | O3 | C1 | 120.7° | 106.8° |
| P1 | O4 | C6 | 121.9° | 106.8° |
| O3 | C1 | C2 | 113.1° | 109.5° |
| O3 | C1 | H1 | 110.9° | 109.4° |
| O3 | C1 | H2 | 107.4° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | H2 | 108.2° | 109.5° |
| C1 | C2 | N1 | 116.8° | 109.4° |
| C1 | C2 | H3 | 107.3° | 109.4° |
| C1 | C2 | H4 | 107.6° | 109.5° |
| H1 | C1 | H2 | 107.7° | 109.5° |
| N1 | C2 | H3 | 109.2° | 109.5° |
| N1 | C2 | H4 | 108.6° | 109.5° |
| C2 | N1 | C3 | 111.5° | 109.5° |
| C2 | N1 | C4 | 108.1° | 109.4° |
| C2 | N1 | C5 | 111.1° | 109.4° |
| H3 | C2 | H4 | 107.0° | 109.5° |
| C3 | N1 | C4 | 108.3° | 109.5° |
| C3 | N1 | C5 | 109.5° | 109.5° |
| N1 | C3 | H5 | 110.3° | 109.5° |
| N1 | C3 | H6 | 110.5° | 109.5° |
| N1 | C3 | H7 | 110.5° | 109.5° |
| C4 | N1 | C5 | 108.2° | 109.5° |
| N1 | C4 | H8 | 110.5° | 109.5° |
| N1 | C4 | H9 | 110.4° | 109.5° |
| N1 | C4 | H10 | 110.7° | 109.5° |
| N1 | C5 | H11 | 110.5° | 109.5° |
| N1 | C5 | H12 | 110.6° | 109.5° |
| N1 | C5 | H13 | 110.5° | 109.5° |
| H5 | C3 | H6 | 108.6° | 109.5° |
| H5 | C3 | H7 | 108.6° | 109.4° |
| H6 | C3 | H7 | 108.3° | 109.5° |
| H8 | C4 | H9 | 108.4° | 109.4° |
| H8 | C4 | H10 | 108.3° | 109.4° |
| H9 | C4 | H10 | 108.4° | 109.4° |
| H11 | C5 | H12 | 108.0° | 109.4° |
| H11 | C5 | H13 | 108.5° | 109.5° |
| H12 | C5 | H13 | 108.6° | 109.4° |
| O4 | C6 | C7 | 114.2° | 109.5° |
| O4 | C6 | H14 | 110.5° | 109.5° |
| O4 | C6 | H15 | 106.7° | 109.4° |
| C7 | C6 | H14 | 109.2° | 109.5° |
| C7 | C6 | H15 | 108.9° | 109.4° |
| C6 | C7 | C8 | 112.1° | 109.5° |
| C6 | C7 | O7 | 111.5° | 109.5° |
| C6 | C7 | H16 | 107.9° | 109.5° |
| H14 | C6 | H15 | 106.9° | 109.5° |
| C8 | C7 | O7 | 110.3° | 109.5° |
| C8 | C7 | H16 | 107.4° | 109.4° |
| C7 | C8 | O5 | 111.9° | 109.4° |
| C7 | C8 | H17 | 109.5° | 109.5° |
| C7 | C8 | H18 | 109.2° | 109.5° |
| O7 | C7 | H16 | 107.5° | 109.5° |
| C7 | O7 | C19 | 144.0° | 120.0° |
| O5 | C8 | H17 | 109.0° | 109.5° |
| O5 | C8 | H18 | 108.8° | 109.4° |
| C8 | O5 | C9 | 158.4° | 120.0° |
| H17 | C8 | H18 | 108.5° | 109.5° |
| O5 | C9 | O6 | 70.7° | 120.0° |
| O5 | C9 | C10 | 119.7° | 120.0° |
| O6 | C9 | C10 | 118.5° | 120.0° |
| C9 | C10 | C11 | 113.5° | 109.5° |
| C9 | C10 | H19 | 107.7° | 109.5° |
| C9 | C10 | H20 | 110.0° | 109.5° |
| C11 | C10 | H19 | 108.4° | 109.4° |
| C11 | C10 | H20 | 109.5° | 109.4° |
| C10 | C11 | C12 | 113.7° | 109.5° |
| C10 | C11 | H21 | 107.6° | 109.5° |
| C10 | C11 | H22 | 109.1° | 109.5° |
| H19 | C10 | H20 | 107.5° | 109.5° |
| C12 | C11 | H21 | 108.6° | 109.4° |
| C12 | C11 | H22 | 109.7° | 109.4° |
| C11 | C12 | C13 | 113.9° | 109.5° |
| C11 | C12 | H23 | 108.5° | 109.5° |
| C11 | C12 | H24 | 109.5° | 109.5° |
| H21 | C11 | H22 | 107.8° | 109.4° |
| C13 | C12 | H23 | 107.6° | 109.4° |
| C13 | C12 | H24 | 109.3° | 109.5° |
| C12 | C13 | C14 | 114.2° | 109.5° |
| C12 | C13 | H25 | 107.9° | 109.5° |
| C12 | C13 | H26 | 108.8° | 109.5° |
| H23 | C12 | H24 | 107.8° | 109.5° |
| C14 | C13 | H25 | 108.5° | 109.4° |
| C14 | C13 | H26 | 109.5° | 109.5° |
| C13 | C14 | C15 | 111.7° | 109.5° |
| C13 | C14 | H27 | 108.8° | 109.4° |
| C13 | C14 | H28 | 109.2° | 109.5° |
| H25 | C13 | H26 | 107.7° | 109.5° |
| C15 | C14 | H27 | 109.3° | 109.5° |
| C15 | C14 | H28 | 109.1° | 109.5° |
| C14 | C15 | C16 | 114.4° | 109.5° |
| C14 | C15 | H29 | 108.5° | 109.5° |
| C14 | C15 | H30 | 109.3° | 109.5° |
| H27 | C14 | H28 | 108.8° | 109.5° |
| C16 | C15 | H29 | 107.7° | 109.4° |
| C16 | C15 | H30 | 109.2° | 109.5° |
| C15 | C16 | C17 | 116.5° | 109.5° |
| C15 | C16 | H31 | 108.2° | 109.4° |
| C15 | C16 | H32 | 108.3° | 109.4° |
| H29 | C15 | H30 | 107.3° | 109.5° |
| C17 | C16 | H31 | 108.4° | 109.5° |
| C17 | C16 | H32 | 108.2° | 109.5° |
| C16 | C17 | C18 | 114.1° | 109.5° |
| C16 | C17 | H33 | 109.9° | 109.5° |
| C16 | C17 | H34 | 108.0° | 109.5° |
| H31 | C16 | H32 | 106.8° | 109.4° |
| C18 | C17 | H33 | 109.1° | 109.4° |
| C18 | C17 | H34 | 108.2° | 109.5° |
| C17 | C18 | H35 | 110.4° | 109.5° |
| C17 | C18 | H36 | 109.4° | 109.5° |
| C17 | C18 | H37 | 110.1° | 109.4° |
| H33 | C17 | H34 | 107.3° | 109.5° |
| H35 | C18 | H36 | 108.7° | 109.5° |
| H35 | C18 | H37 | 109.3° | 109.5° |
| H36 | C18 | H37 | 108.8° | 109.5° |
| O7 | C19 | O8 | 63.7° | 120.0° |
| O7 | C19 | C20 | 170.2° | 119.9° |
| O8 | C19 | C20 | 117.9° | 120.0° |
| C19 | C20 | C21 | 113.0° | 109.4° |
| C19 | C20 | H38 | 108.1° | 109.5° |
| C19 | C20 | H39 | 110.1° | 109.4° |
| C21 | C20 | H38 | 108.8° | 109.5° |
| C21 | C20 | H39 | 109.1° | 109.5° |
| C20 | C21 | C22 | 113.4° | 109.5° |
| C20 | C21 | H40 | 107.6° | 109.5° |
| C20 | C21 | H41 | 109.1° | 109.4° |
| H38 | C20 | H39 | 107.6° | 109.5° |
| C22 | C21 | H40 | 109.3° | 109.5° |
| C22 | C21 | H41 | 109.4° | 109.5° |
| C21 | C22 | C23 | 113.9° | 109.4° |
| C21 | C22 | H42 | 109.7° | 109.5° |
| C21 | C22 | H43 | 108.5° | 109.4° |
| H40 | C21 | H41 | 107.8° | 109.5° |
| C23 | C22 | H42 | 109.2° | 109.5° |
| C23 | C22 | H43 | 107.7° | 109.5° |
| C22 | C23 | C24 | 113.4° | 109.4° |
| C22 | C23 | H44 | 109.3° | 109.4° |
| C22 | C23 | H45 | 107.9° | 109.5° |
| H42 | C22 | H43 | 107.6° | 109.5° |
| C24 | C23 | H44 | 109.8° | 109.5° |
| C24 | C23 | H45 | 108.5° | 109.5° |
| C23 | C24 | C25 | 112.1° | 109.4° |
| C23 | C24 | H46 | 109.0° | 109.4° |
| C23 | C24 | H47 | 108.9° | 109.5° |
| H44 | C23 | H45 | 107.8° | 109.5° |
| C25 | C24 | H46 | 109.0° | 109.5° |
| C25 | C24 | H47 | 109.1° | 109.5° |
| C24 | C25 | C26 | 114.3° | 109.4° |
| C24 | C25 | H48 | 109.1° | 109.5° |
| C24 | C25 | H49 | 108.8° | 109.5° |
| H46 | C24 | H47 | 108.7° | 109.5° |
| C26 | C25 | H48 | 109.2° | 109.5° |
| C26 | C25 | H49 | 107.7° | 109.5° |
| C25 | C26 | C27 | 116.3° | 109.5° |
| C25 | C26 | H50 | 108.3° | 109.5° |
| C25 | C26 | H51 | 108.2° | 109.4° |
| H48 | C25 | H49 | 107.5° | 109.5° |
| C27 | C26 | H50 | 108.1° | 109.5° |
| C27 | C26 | H51 | 108.5° | 109.5° |
| C26 | C27 | C28 | 114.4° | 109.5° |
| C26 | C27 | H52 | 108.0° | 109.5° |
| C26 | C27 | H53 | 109.8° | 109.4° |
| H50 | C26 | H51 | 107.2° | 109.5° |
| C28 | C27 | H52 | 108.1° | 109.5° |
| C28 | C27 | H53 | 109.1° | 109.5° |
| C27 | C28 | H54 | 110.1° | 109.5° |
| C27 | C28 | H55 | 109.4° | 109.4° |
| C27 | C28 | H56 | 110.4° | 109.5° |
| H52 | C27 | H53 | 107.2° | 109.5° |
| H54 | C28 | H55 | 108.8° | 109.5° |
| H54 | C28 | H56 | 109.6° | 109.5° |
| H55 | C28 | H56 | 108.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | O3 | 124.9° | 120.0° |
| O1 | P1 | O2 | O4 | 125.6° | 120.0° |
| O1 | P1 | O3 | O4 | 114.3° | 120.0° |
| O1 | P1 | O3 | C1 | 134.1° | 65.0° |
| O1 | P1 | O4 | C6 | 62.7° | 65.0° |
| H1P | O1 | P1 | O2 | 180.0° | 180.0° |
| H1P | O1 | P1 | O3 | 55.8° | 60.0° |
| H1P | O1 | P1 | O4 | 54.5° | 60.0° |
| O2 | P1 | O3 | O4 | 113.6° | 120.0° |
| O2 | P1 | O3 | C1 | 2.1° | 55.0° |
| O2 | P1 | O4 | C6 | 164.6° | 55.1° |
| P1 | O3 | C1 | C2 | 141.8° | 180.0° |
| P1 | O3 | C1 | H1 | 94.9° | 60.0° |
| P1 | O3 | C1 | H2 | 22.5° | 60.0° |
| O3 | P1 | O4 | C6 | 51.8° | 175.0° |
| O4 | P1 | O3 | C1 | 111.6° | 175.0° |
| P1 | O4 | C6 | C7 | 88.5° | 180.0° |
| P1 | O4 | C6 | H14 | 147.8° | 60.0° |
| P1 | O4 | C6 | H15 | 31.8° | 60.0° |
| O3 | C1 | C2 | H1 | 124.1° | 120.0° |
| O3 | C1 | C2 | H2 | 118.8° | 120.0° |
| O3 | C1 | H1 | H2 | 117.3° | 120.0° |
| O3 | C1 | C2 | N1 | 95.5° | 66.6° |
| O3 | C1 | C2 | H3 | 141.6° | 173.5° |
| O3 | C1 | C2 | H4 | 26.8° | 53.5° |
| C2 | C1 | H1 | H2 | 117.4° | 120.1° |
| C1 | C2 | N1 | H3 | 121.9° | 119.9° |
| C1 | C2 | N1 | H4 | 121.8° | 120.0° |
| C1 | C2 | H3 | H4 | 115.3° | 120.0° |
| C1 | C2 | N1 | C3 | 50.8° | 54.4° |
| C1 | C2 | N1 | C4 | 68.2° | 174.4° |
| C1 | C2 | N1 | C5 | 173.3° | 65.6° |
| H1 | C1 | C2 | N1 | 28.6° | 53.4° |
| H1 | C1 | C2 | H3 | 94.3° | 66.6° |
| H1 | C1 | C2 | H4 | 150.9° | 173.5° |
| H2 | C1 | C2 | N1 | 145.7° | 173.5° |
| H2 | C1 | C2 | H3 | 22.8° | 53.5° |
| H2 | C1 | C2 | H4 | 92.0° | 66.5° |
| N1 | C2 | H3 | H4 | 117.3° | 120.1° |
| C2 | N1 | C3 | C4 | 118.9° | 120.0° |
| C2 | N1 | C3 | C5 | 123.4° | 120.0° |
| C2 | N1 | C4 | C5 | 120.3° | 119.9° |
| C2 | N1 | C3 | H5 | 38.3° | 59.9° |
| C2 | N1 | C3 | H6 | 158.5° | 180.0° |
| C2 | N1 | C3 | H7 | 81.7° | 60.0° |
| C2 | N1 | C4 | H8 | 152.3° | 180.0° |
| C2 | N1 | C4 | H9 | 87.7° | 60.0° |
| C2 | N1 | C4 | H10 | 32.4° | 60.0° |
| C2 | N1 | C5 | H11 | 163.5° | 71.1° |
| C2 | N1 | C5 | H12 | 43.9° | 169.0° |
| C2 | N1 | C5 | H13 | 76.4° | 49.0° |
| H3 | C2 | N1 | C3 | 172.6° | 65.6° |
| H3 | C2 | N1 | C4 | 53.6° | 54.5° |
| H3 | C2 | N1 | C5 | 64.9° | 174.4° |
| H4 | C2 | N1 | C3 | 71.1° | 174.4° |
| H4 | C2 | N1 | C4 | 169.9° | 65.6° |
| H4 | C2 | N1 | C5 | 51.4° | 54.4° |
| C3 | N1 | C4 | C5 | 118.6° | 120.0° |
| N1 | C3 | H5 | H6 | 121.3° | 120.0° |
| N1 | C3 | H5 | H7 | 121.2° | 120.0° |
| N1 | C3 | H6 | H7 | 121.1° | 120.0° |
| C3 | N1 | C4 | H8 | 86.6° | 60.0° |
| C3 | N1 | C4 | H9 | 33.3° | 60.0° |
| C3 | N1 | C4 | H10 | 153.4° | 180.0° |
| C3 | N1 | C5 | H11 | 72.8° | 49.0° |
| C3 | N1 | C5 | H12 | 167.6° | 71.0° |
| C3 | N1 | C5 | H13 | 47.3° | 169.0° |
| C4 | N1 | C3 | H5 | 80.6° | 60.0° |
| C4 | N1 | C3 | H6 | 39.6° | 60.0° |
| C4 | N1 | C3 | H7 | 159.4° | 180.0° |
| N1 | C4 | H8 | H9 | 121.2° | 120.1° |
| N1 | C4 | H8 | H10 | 121.4° | 120.0° |
| N1 | C4 | H9 | H10 | 121.4° | 120.1° |
| C4 | N1 | C5 | H11 | 45.0° | 169.0° |
| C4 | N1 | C5 | H12 | 74.5° | 49.1° |
| C4 | N1 | C5 | H13 | 165.2° | 70.9° |
| C5 | N1 | C3 | H5 | 161.7° | 179.9° |
| C5 | N1 | C3 | H6 | 78.2° | 60.0° |
| C5 | N1 | C3 | H7 | 41.6° | 60.0° |
| C5 | N1 | C4 | H8 | 32.0° | 60.1° |
| C5 | N1 | C4 | H9 | 151.9° | 179.9° |
| C5 | N1 | C4 | H10 | 88.0° | 59.9° |
| N1 | C5 | H11 | H12 | 121.1° | 120.0° |
| N1 | C5 | H11 | H13 | 121.3° | 120.1° |
| N1 | C5 | H12 | H13 | 121.4° | 120.1° |
| H5 | C3 | H6 | H7 | 117.7° | 120.0° |
| H8 | C4 | H9 | H10 | 117.3° | 119.9° |
| H11 | C5 | H12 | H13 | 117.5° | 119.9° |
| O4 | C6 | C7 | H14 | 124.4° | 120.1° |
| O4 | C6 | C7 | H15 | 119.2° | 119.9° |
| O4 | C6 | H14 | H15 | 115.8° | 120.0° |
| O4 | C6 | C7 | C8 | 25.1° | 55.1° |
| O4 | C6 | C7 | O7 | 149.3° | 64.9° |
| O4 | C6 | C7 | H16 | 93.0° | 175.0° |
| C7 | C6 | H14 | H15 | 117.7° | 120.0° |
| C6 | C7 | C8 | O7 | 124.8° | 120.0° |
| C6 | C7 | C8 | H16 | 118.3° | 120.0° |
| C6 | C7 | O7 | H16 | 118.0° | 120.0° |
| C6 | C7 | C8 | O5 | 131.1° | 55.1° |
| C6 | C7 | C8 | H17 | 10.2° | 64.9° |
| C6 | C7 | C8 | H18 | 108.5° | 175.0° |
| C6 | C7 | O7 | C19 | 10.0° | 90.0° |
| H14 | C6 | C7 | C8 | 99.3° | 65.0° |
| H14 | C6 | C7 | O7 | 24.9° | 175.0° |
| H14 | C6 | C7 | H16 | 142.7° | 55.0° |
| H15 | C6 | C7 | C8 | 144.3° | 175.0° |
| H15 | C6 | C7 | O7 | 91.6° | 55.0° |
| H15 | C6 | C7 | H16 | 26.2° | 65.0° |
| C8 | C7 | O7 | H16 | 116.8° | 120.0° |
| C7 | C8 | O5 | H17 | 121.2° | 120.0° |
| C7 | C8 | O5 | H18 | 120.6° | 120.0° |
| C7 | C8 | H17 | H18 | 119.0° | 120.1° |
| C7 | C8 | O5 | C9 | 76.4° | 180.0° |
| C8 | C7 | O7 | C19 | 135.1° | 150.0° |
| O7 | C7 | C8 | O5 | 6.3° | 65.0° |
| O7 | C7 | C8 | H17 | 114.6° | 175.0° |
| O7 | C7 | C8 | H18 | 126.7° | 55.0° |
| C7 | O7 | C19 | O8 | 175.3° | 0.0° |
| C7 | O7 | C19 | C20 | 82.7° | 180.0° |
| H16 | C7 | C8 | O5 | 110.6° | 175.0° |
| H16 | C7 | C8 | H17 | 128.5° | 55.0° |
| H16 | C7 | C8 | H18 | 9.8° | 65.0° |
| H16 | C7 | O7 | C19 | 108.0° | 30.0° |
| O5 | C8 | H17 | H18 | 118.3° | 120.0° |
| C8 | O5 | C9 | O6 | 141.9° | 0.0° |
| C8 | O5 | C9 | C10 | 105.7° | 180.0° |
| H17 | C8 | O5 | C9 | 162.4° | 60.0° |
| H18 | C8 | O5 | C9 | 44.2° | 60.0° |
| O5 | C9 | O6 | C10 | 114.0° | 180.0° |
| O5 | C9 | C10 | C11 | 84.7° | 180.0° |
| O5 | C9 | C10 | H19 | 155.3° | 60.0° |
| O5 | C9 | C10 | H20 | 38.4° | 60.0° |
| O6 | C9 | C10 | C11 | 1.8° | 0.0° |
| O6 | C9 | C10 | H19 | 121.8° | 120.0° |
| O6 | C9 | C10 | H20 | 121.3° | 120.0° |
| C9 | C10 | C11 | H19 | 119.6° | 120.0° |
| C9 | C10 | C11 | H20 | 123.4° | 120.0° |
| C9 | C10 | H19 | H20 | 118.5° | 120.1° |
| C9 | C10 | C11 | C12 | 122.2° | 180.0° |
| C9 | C10 | C11 | H21 | 117.4° | 60.0° |
| C9 | C10 | C11 | H22 | 0.7° | 60.0° |
| C11 | C10 | H19 | H20 | 118.3° | 119.9° |
| C10 | C11 | C12 | H21 | 119.8° | 120.1° |
| C10 | C11 | C12 | H22 | 122.5° | 120.0° |
| C10 | C11 | H21 | H22 | 117.6° | 120.0° |
| C10 | C11 | C12 | C13 | 72.4° | 180.0° |
| C10 | C11 | C12 | H23 | 47.4° | 60.0° |
| C10 | C11 | C12 | H24 | 164.9° | 60.0° |
| H19 | C10 | C11 | C12 | 118.2° | 60.0° |
| H19 | C10 | C11 | H21 | 2.2° | 180.0° |
| H19 | C10 | C11 | H22 | 119.0° | 60.0° |
| H20 | C10 | C11 | C12 | 1.2° | 60.0° |
| H20 | C10 | C11 | H21 | 119.2° | 60.0° |
| H20 | C10 | C11 | H22 | 124.0° | 180.0° |
| C12 | C11 | H21 | H22 | 118.8° | 119.9° |
| C11 | C12 | C13 | H23 | 120.3° | 120.0° |
| C11 | C12 | C13 | H24 | 122.9° | 120.0° |
| C11 | C12 | H23 | H24 | 118.6° | 120.0° |
| C11 | C12 | C13 | C14 | 89.4° | 180.0° |
| C11 | C12 | C13 | H25 | 149.8° | 60.0° |
| C11 | C12 | C13 | H26 | 33.3° | 60.0° |
| H21 | C11 | C12 | C13 | 47.4° | 60.0° |
| H21 | C11 | C12 | H23 | 167.2° | 179.9° |
| H21 | C11 | C12 | H24 | 75.3° | 60.1° |
| H22 | C11 | C12 | C13 | 165.1° | 60.0° |
| H22 | C11 | C12 | H23 | 75.1° | 60.0° |
| H22 | C11 | C12 | H24 | 42.3° | 180.0° |
| C13 | C12 | H23 | H24 | 117.8° | 120.0° |
| C12 | C13 | C14 | H25 | 120.4° | 119.9° |
| C12 | C13 | C14 | H26 | 122.3° | 120.1° |
| C12 | C13 | H25 | H26 | 117.3° | 120.0° |
| C12 | C13 | C14 | C15 | 172.7° | 180.0° |
| C12 | C13 | C14 | H27 | 52.1° | 60.1° |
| C12 | C13 | C14 | H28 | 66.5° | 59.9° |
| H23 | C12 | C13 | C14 | 150.2° | 60.0° |
| H23 | C12 | C13 | H25 | 29.5° | 180.0° |
| H23 | C12 | C13 | H26 | 87.1° | 60.0° |
| H24 | C12 | C13 | C14 | 33.4° | 59.9° |
| H24 | C12 | C13 | H25 | 87.3° | 60.0° |
| H24 | C12 | C13 | H26 | 156.1° | 180.0° |
| C14 | C13 | H25 | H26 | 118.5° | 120.0° |
| C13 | C14 | C15 | H27 | 120.4° | 119.9° |
| C13 | C14 | C15 | H28 | 120.8° | 120.1° |
| C13 | C14 | H27 | H28 | 118.9° | 120.0° |
| C13 | C14 | C15 | C16 | 50.9° | 180.0° |
| C13 | C14 | C15 | H29 | 69.4° | 60.1° |
| C13 | C14 | C15 | H30 | 173.8° | 59.9° |
| H25 | C13 | C14 | C15 | 52.3° | 60.1° |
| H25 | C13 | C14 | H27 | 68.3° | 180.0° |
| H25 | C13 | C14 | H28 | 173.1° | 60.0° |
| H26 | C13 | C14 | C15 | 65.0° | 59.9° |
| H26 | C13 | C14 | H27 | 174.4° | 60.0° |
| H26 | C13 | C14 | H28 | 55.8° | 180.0° |
| C15 | C14 | H27 | H28 | 119.0° | 120.0° |
| C14 | C15 | C16 | H29 | 120.8° | 120.0° |
| C14 | C15 | C16 | H30 | 123.0° | 120.0° |
| C14 | C15 | H29 | H30 | 118.1° | 120.0° |
| C14 | C15 | C16 | C17 | 55.7° | 180.0° |
| C14 | C15 | C16 | H31 | 178.1° | 60.0° |
| C14 | C15 | C16 | H32 | 66.5° | 60.0° |
| H27 | C14 | C15 | C16 | 69.5° | 60.0° |
| H27 | C14 | C15 | H29 | 170.2° | 180.0° |
| H27 | C14 | C15 | H30 | 53.4° | 60.0° |
| H28 | C14 | C15 | C16 | 171.7° | 60.0° |
| H28 | C14 | C15 | H29 | 51.4° | 60.0° |
| H28 | C14 | C15 | H30 | 65.4° | NaN° |
| C16 | C15 | H29 | H30 | 117.5° | 120.0° |
| C15 | C16 | C17 | H31 | 122.3° | 120.0° |
| C15 | C16 | C17 | H32 | 122.2° | 120.0° |
| C15 | C16 | H31 | H32 | 116.4° | 119.9° |
| C15 | C16 | C17 | C18 | 46.9° | 180.0° |
| C15 | C16 | C17 | H33 | 76.0° | 60.0° |
| C15 | C16 | C17 | H34 | 167.2° | 60.0° |
| H29 | C15 | C16 | C17 | 176.5° | 60.0° |
| H29 | C15 | C16 | H31 | 61.2° | 180.0° |
| H29 | C15 | C16 | H32 | 54.3° | 60.0° |
| H30 | C15 | C16 | C17 | 67.3° | 60.0° |
| H30 | C15 | C16 | H31 | 55.1° | 60.1° |
| H30 | C15 | C16 | H32 | 170.6° | 180.0° |
| C17 | C16 | H31 | H32 | 116.4° | 120.0° |
| C16 | C17 | C18 | H33 | 123.3° | 120.0° |
| C16 | C17 | C18 | H34 | 120.3° | 120.0° |
| C16 | C17 | H33 | H34 | 117.2° | 120.0° |
| C16 | C17 | C18 | H35 | 25.5° | 180.0° |
| C16 | C17 | C18 | H36 | 94.0° | 60.0° |
| C16 | C17 | C18 | H37 | 146.4° | 60.0° |
| H31 | C16 | C17 | C18 | 75.4° | 60.0° |
| H31 | C16 | C17 | H33 | 161.7° | 180.0° |
| H31 | C16 | C17 | H34 | 45.0° | 60.0° |
| H32 | C16 | C17 | C18 | 169.1° | 60.0° |
| H32 | C16 | C17 | H33 | 46.2° | 60.0° |
| H32 | C16 | C17 | H34 | 70.5° | 180.0° |
| C18 | C17 | H33 | H34 | 117.0° | 120.0° |
| C17 | C18 | H35 | H36 | 120.1° | 120.0° |
| C17 | C18 | H35 | H37 | 121.3° | 120.0° |
| C17 | C18 | H36 | H37 | 120.4° | 120.0° |
| H33 | C17 | C18 | H35 | 148.9° | 60.0° |
| H33 | C17 | C18 | H36 | 29.3° | 60.0° |
| H33 | C17 | C18 | H37 | 90.3° | 180.0° |
| H34 | C17 | C18 | H35 | 94.7° | 60.0° |
| H34 | C17 | C18 | H36 | 145.7° | 180.0° |
| H34 | C17 | C18 | H37 | 26.1° | 60.0° |
| H35 | C18 | H36 | H37 | 119.0° | 120.0° |
| O7 | C19 | O8 | C20 | 169.2° | 180.0° |
| O7 | C19 | C20 | C21 | 26.4° | 180.0° |
| O7 | C19 | C20 | H38 | 146.9° | 60.0° |
| O7 | C19 | C20 | H39 | 95.8° | 60.0° |
| O8 | C19 | C20 | C21 | 70.6° | 0.0° |
| O8 | C19 | C20 | H38 | 49.8° | 120.0° |
| O8 | C19 | C20 | H39 | 167.2° | 120.0° |
| C19 | C20 | C21 | H38 | 120.1° | 120.0° |
| C19 | C20 | C21 | H39 | 122.8° | 120.0° |
| C19 | C20 | H38 | H39 | 118.9° | 120.0° |
| C19 | C20 | C21 | C22 | 78.0° | 180.0° |
| C19 | C20 | C21 | H40 | 43.1° | 60.0° |
| C19 | C20 | C21 | H41 | 159.8° | 60.0° |
| C21 | C20 | H38 | H39 | 118.0° | 120.0° |
| C20 | C21 | C22 | H40 | 120.1° | 120.0° |
| C20 | C21 | C22 | H41 | 122.0° | 119.9° |
| C20 | C21 | H40 | H41 | 117.5° | 119.9° |
| C20 | C21 | C22 | C23 | 174.0° | 180.0° |
| C20 | C21 | C22 | H42 | 63.2° | 59.9° |
| C20 | C21 | C22 | H43 | 54.0° | 60.0° |
| H38 | C20 | C21 | C22 | 42.1° | 60.0° |
| H38 | C20 | C21 | H40 | 163.2° | 180.0° |
| H38 | C20 | C21 | H41 | 80.1° | 60.0° |
| H39 | C20 | C21 | C22 | 159.2° | 60.1° |
| H39 | C20 | C21 | H40 | 79.7° | 60.0° |
| H39 | C20 | C21 | H41 | 37.0° | 180.0° |
| C22 | C21 | H40 | H41 | 118.8° | 120.0° |
| C21 | C22 | C23 | H42 | 123.0° | 120.0° |
| C21 | C22 | C23 | H43 | 120.4° | 120.0° |
| C21 | C22 | H42 | H43 | 117.8° | 119.9° |
| C21 | C22 | C23 | C24 | 108.1° | 180.0° |
| C21 | C22 | C23 | H44 | 14.7° | 60.0° |
| C21 | C22 | C23 | H45 | 131.7° | 60.0° |
| H40 | C21 | C22 | C23 | 65.9° | 60.0° |
| H40 | C21 | C22 | H42 | 56.9° | 180.0° |
| H40 | C21 | C22 | H43 | 174.2° | 60.0° |
| H41 | C21 | C22 | C23 | 52.0° | 60.0° |
| H41 | C21 | C22 | H42 | 174.8° | 60.0° |
| H41 | C21 | C22 | H43 | 68.0° | 180.0° |
| C23 | C22 | H42 | H43 | 116.6° | 120.1° |
| C22 | C23 | C24 | H44 | 122.6° | 119.9° |
| C22 | C23 | C24 | H45 | 119.8° | 120.0° |
| C22 | C23 | H44 | H45 | 117.0° | 120.0° |
| C22 | C23 | C24 | C25 | 77.7° | 180.0° |
| C22 | C23 | C24 | H46 | 161.5° | 60.0° |
| C22 | C23 | C24 | H47 | 43.1° | 60.0° |
| H42 | C22 | C23 | C24 | 14.9° | 60.0° |
| H42 | C22 | C23 | H44 | 137.7° | 180.0° |
| H42 | C22 | C23 | H45 | 105.3° | 60.0° |
| H43 | C22 | C23 | C24 | 131.4° | 60.0° |
| H43 | C22 | C23 | H44 | 105.7° | 59.9° |
| H43 | C22 | C23 | H45 | 11.2° | 180.0° |
| C24 | C23 | H44 | H45 | 118.0° | 120.1° |
| C23 | C24 | C25 | H46 | 120.8° | 119.9° |
| C23 | C24 | C25 | H47 | 120.7° | 120.0° |
| C23 | C24 | H46 | H47 | 118.6° | 120.0° |
| C23 | C24 | C25 | C26 | 22.5° | 180.0° |
| C23 | C24 | C25 | H48 | 100.1° | 60.0° |
| C23 | C24 | C25 | H49 | 142.9° | 60.0° |
| H44 | C23 | C24 | C25 | 159.7° | 60.1° |
| H44 | C23 | C24 | H46 | 38.9° | 180.0° |
| H44 | C23 | C24 | H47 | 79.5° | 59.9° |
| H45 | C23 | C24 | C25 | 42.1° | 60.0° |
| H45 | C23 | C24 | H46 | 78.6° | 60.0° |
| H45 | C23 | C24 | H47 | 162.9° | 180.0° |
| C25 | C24 | H46 | H47 | 118.8° | 120.1° |
| C24 | C25 | C26 | H48 | 122.5° | 120.0° |
| C24 | C25 | C26 | H49 | 121.0° | 120.0° |
| C24 | C25 | H48 | H49 | 117.9° | 120.0° |
| C24 | C25 | C26 | C27 | 84.7° | 180.0° |
| C24 | C25 | C26 | H50 | 37.2° | 60.0° |
| C24 | C25 | C26 | H51 | 153.0° | 60.0° |
| H46 | C24 | C25 | C26 | 98.4° | 60.0° |
| H46 | C24 | C25 | H48 | 139.1° | 179.9° |
| H46 | C24 | C25 | H49 | 22.1° | 59.9° |
| H47 | C24 | C25 | C26 | 143.2° | 60.0° |
| H47 | C24 | C25 | H48 | 20.6° | 60.0° |
| H47 | C24 | C25 | H49 | 96.4° | 180.0° |
| C26 | C25 | H48 | H49 | 116.6° | 120.0° |
| C25 | C26 | C27 | H50 | 122.0° | 120.0° |
| C25 | C26 | C27 | H51 | 122.1° | 120.0° |
| C25 | C26 | H50 | H51 | 116.5° | 120.0° |
| C25 | C26 | C27 | C28 | 134.8° | 180.0° |
| C25 | C26 | C27 | H52 | 104.8° | 60.0° |
| C25 | C26 | C27 | H53 | 11.8° | 60.0° |
| H48 | C25 | C26 | C27 | 37.8° | 60.0° |
| H48 | C25 | C26 | H50 | 159.7° | 180.0° |
| H48 | C25 | C26 | H51 | 84.5° | 60.0° |
| H49 | C25 | C26 | C27 | 154.3° | 60.1° |
| H49 | C25 | C26 | H50 | 83.8° | 60.0° |
| H49 | C25 | C26 | H51 | 32.0° | 180.0° |
| C27 | C26 | H50 | H51 | 116.7° | 120.0° |
| C26 | C27 | C28 | H52 | 120.4° | 120.0° |
| C26 | C27 | C28 | H53 | 123.4° | 119.9° |
| C26 | C27 | H52 | H53 | 118.3° | 119.9° |
| C26 | C27 | C28 | H54 | 134.4° | 59.9° |
| C26 | C27 | C28 | H55 | 14.8° | 60.0° |
| C26 | C27 | C28 | H56 | 104.5° | 180.0° |
| H50 | C26 | C27 | C28 | 103.2° | 60.0° |
| H50 | C26 | C27 | H52 | 17.2° | 180.0° |
| H50 | C26 | C27 | H53 | 133.8° | 60.0° |
| H51 | C26 | C27 | C28 | 12.7° | 60.0° |
| H51 | C26 | C27 | H52 | 133.1° | 60.0° |
| H51 | C26 | C27 | H53 | 110.4° | 180.0° |
| C28 | C27 | H52 | H53 | 117.5° | 120.0° |
| C27 | C28 | H54 | H55 | 119.8° | 120.0° |
| C27 | C28 | H54 | H56 | 121.6° | 120.0° |
| C27 | C28 | H55 | H56 | 120.5° | 120.0° |
| H52 | C27 | C28 | H54 | 105.3° | 180.0° |
| H52 | C27 | C28 | H55 | 135.2° | 60.0° |
| H52 | C27 | C28 | H56 | 15.8° | 60.0° |
| H53 | C27 | C28 | H54 | 10.9° | 60.0° |
| H53 | C27 | C28 | H55 | 108.6° | 180.0° |
| H53 | C27 | C28 | H56 | 132.1° | 60.1° |
| H54 | C28 | H55 | H56 | 119.2° | 120.0° |
