XJD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C12 | sing | 1.47Å | 1.45Å | |
| C12 | 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 | 1.50Å | |
| P | O4 | sing | 1.61Å | 1.50Å | |
| P | O2 | sing | 1.61Å | 1.64Å | |
| O2 | C10 | sing | 1.43Å | 1.40Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | O1 | sing | 1.45Å | 1.40Å | |
| C9 | O6 | sing | 1.45Å | 1.40Å | |
| O1 | C7 | sing | 1.34Å | 1.39Å | |
| O6 | C13 | sing | 1.34Å | 1.40Å | |
| O7 | C13 | doub | 1.21Å | 1.18Å | |
| O | C7 | doub | 1.21Å | 1.18Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | 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 | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| N | H28 | sing | 1.01Å | 1.00Å | |
| N | H29 | sing | 1.01Å | 1.00Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C10 | H34 | sing | 1.09Å | 1.10Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H40 | sing | 1.09Å | 1.10Å | |
| C3 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H46 | sing | 1.09Å | 1.10Å | |
| C6 | H47 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.09Å | 1.10Å | |
| C9 | H50 | sing | 1.09Å | 1.10Å | |
| O4 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C12 | C11 | 110.9° | 109.5° |
| N | C12 | H3 | 109.1° | 109.5° |
| N | C12 | H4 | 109.1° | 109.4° |
| C12 | N | H28 | 109.5° | 111.0° |
| C12 | N | H29 | 109.4° | 111.0° |
| C12 | C11 | O5 | 109.5° | 109.5° |
| C12 | C11 | H1 | 109.5° | 109.5° |
| C12 | C11 | H2 | 109.5° | 109.5° |
| C11 | C12 | H3 | 109.1° | 109.5° |
| C11 | C12 | H4 | 109.1° | 109.5° |
| C11 | O5 | P | 118.0° | 123.0° |
| O5 | C11 | H1 | 109.5° | 109.5° |
| O5 | C11 | H2 | 109.5° | 109.5° |
| O5 | P | O3 | 108.6° | 109.4° |
| O5 | P | O4 | 108.0° | 109.5° |
| O5 | P | O2 | 110.9° | 109.5° |
| O3 | P | O4 | 111.2° | 109.5° |
| O3 | P | O2 | 109.1° | 109.5° |
| O4 | P | O2 | 109.1° | 109.5° |
| P | O4 | H51 | 109.5° | 113.9° |
| P | O2 | C10 | 118.4° | 123.0° |
| O2 | C10 | C9 | 109.3° | 109.5° |
| O2 | C10 | H34 | 109.5° | 109.5° |
| O2 | C10 | H35 | 109.5° | 109.4° |
| C10 | C9 | C8 | 111.4° | 109.5° |
| C10 | C9 | O6 | 109.9° | 109.5° |
| C9 | C10 | H34 | 109.5° | 109.5° |
| C9 | C10 | H35 | 109.5° | 109.4° |
| C10 | C9 | H50 | 108.4° | 109.5° |
| C9 | C8 | O1 | 108.0° | 109.4° |
| C8 | C9 | O6 | 108.7° | 109.5° |
| C9 | C8 | H48 | 109.8° | 109.5° |
| C9 | C8 | H49 | 109.8° | 109.5° |
| C8 | C9 | H50 | 108.3° | 109.4° |
| C8 | O1 | C7 | 113.8° | 117.0° |
| O1 | C8 | H48 | 109.8° | 109.5° |
| O1 | C8 | H49 | 109.9° | 109.5° |
| C9 | O6 | C13 | 113.8° | 117.0° |
| O6 | C9 | H50 | 110.2° | 109.5° |
| O1 | C7 | O | 119.7° | 120.0° |
| O1 | C7 | C6 | 120.3° | 120.0° |
| O6 | C13 | O7 | 119.4° | 120.0° |
| O6 | C13 | C14 | 120.8° | 120.0° |
| O7 | C13 | C14 | 119.8° | 120.0° |
| O | C7 | C6 | 120.0° | 120.0° |
| C7 | C6 | C5 | 111.2° | 109.5° |
| C7 | C6 | H46 | 109.1° | 109.4° |
| C7 | C6 | H47 | 109.1° | 109.5° |
| C13 | C14 | C15 | 112.1° | 109.5° |
| C13 | C14 | H5 | 108.8° | 109.5° |
| C13 | C14 | H6 | 108.8° | 109.5° |
| C6 | C5 | C4 | 112.4° | 109.5° |
| C6 | C5 | H44 | 108.7° | 109.4° |
| C6 | C5 | H45 | 108.7° | 109.5° |
| C5 | C6 | H46 | 109.0° | 109.5° |
| C5 | C6 | H47 | 109.0° | 109.5° |
| C14 | C15 | C16 | 111.5° | 109.5° |
| C15 | C14 | H5 | 108.8° | 109.5° |
| C15 | C14 | H6 | 108.8° | 109.4° |
| C14 | C15 | H7 | 109.0° | 109.5° |
| C14 | C15 | H8 | 108.9° | 109.5° |
| C15 | C16 | C17 | 113.8° | 109.5° |
| C16 | C15 | H7 | 108.9° | 109.4° |
| C16 | C15 | H8 | 109.0° | 109.5° |
| C15 | C16 | H9 | 108.3° | 109.4° |
| C15 | C16 | H10 | 108.4° | 109.5° |
| C5 | C4 | C3 | 113.4° | 109.5° |
| C5 | C4 | H42 | 108.5° | 109.5° |
| C5 | C4 | H43 | 108.5° | 109.4° |
| C4 | C5 | H44 | 108.8° | 109.5° |
| C4 | C5 | H45 | 108.7° | 109.5° |
| C16 | C17 | C18 | 111.5° | 109.5° |
| C17 | C16 | H9 | 108.4° | 109.5° |
| C17 | C16 | H10 | 108.4° | 109.5° |
| C16 | C17 | H11 | 109.0° | 109.5° |
| C16 | C17 | H12 | 108.9° | 109.5° |
| C4 | C3 | C2 | 112.4° | 109.4° |
| C4 | C3 | H40 | 108.7° | 109.4° |
| C4 | C3 | H41 | 108.7° | 109.5° |
| C3 | C4 | H42 | 108.5° | 109.5° |
| C3 | C4 | H43 | 108.5° | 109.5° |
| C17 | C18 | C19 | 113.7° | 109.5° |
| C18 | C17 | H11 | 109.0° | 109.5° |
| C18 | C17 | H12 | 109.0° | 109.4° |
| C17 | C18 | H13 | 108.4° | 109.5° |
| C17 | C18 | H14 | 108.4° | 109.5° |
| C18 | C19 | C20 | 113.1° | 109.5° |
| C19 | C18 | H13 | 108.4° | 109.5° |
| C19 | C18 | H14 | 108.4° | 109.4° |
| C18 | C19 | H15 | 108.5° | 109.5° |
| C18 | C19 | H16 | 108.6° | 109.5° |
| C3 | C2 | C1 | 112.2° | 109.5° |
| C3 | C2 | H36 | 108.8° | 109.5° |
| C3 | C2 | H37 | 108.7° | 109.5° |
| C2 | C3 | H40 | 108.8° | 109.5° |
| C2 | C3 | H41 | 108.7° | 109.4° |
| C19 | C20 | C21 | 113.0° | 109.5° |
| C20 | C19 | H15 | 108.6° | 109.5° |
| C20 | C19 | H16 | 108.5° | 109.4° |
| C19 | C20 | H17 | 108.6° | 109.5° |
| C19 | C20 | H18 | 108.6° | 109.5° |
| C20 | C21 | C22 | 114.9° | 109.5° |
| C21 | C20 | H17 | 108.6° | 109.5° |
| C21 | C20 | H18 | 108.6° | 109.4° |
| C20 | C21 | H19 | 108.1° | 109.4° |
| C20 | C21 | H20 | 108.1° | 109.5° |
| C21 | C22 | C23 | 112.5° | 109.5° |
| C22 | C21 | H19 | 108.1° | 109.5° |
| C22 | C21 | H20 | 108.1° | 109.5° |
| C21 | C22 | H21 | 108.7° | 109.5° |
| C21 | C22 | H22 | 108.7° | 109.5° |
| C22 | C23 | C24 | 112.2° | 109.5° |
| C23 | C22 | H21 | 108.7° | 109.5° |
| C23 | C22 | H22 | 108.7° | 109.5° |
| C22 | C23 | H23 | 108.8° | 109.5° |
| C22 | C23 | H24 | 108.8° | 109.5° |
| C2 | C1 | H31 | 109.5° | 109.5° |
| C2 | C1 | H32 | 109.5° | 109.4° |
| C2 | C1 | H33 | 109.5° | 109.5° |
| C1 | C2 | H36 | 108.7° | 109.5° |
| C1 | C2 | H37 | 108.8° | 109.5° |
| C23 | C24 | C25 | 113.9° | 109.5° |
| C24 | C23 | H23 | 108.7° | 109.5° |
| C24 | C23 | H24 | 108.8° | 109.4° |
| C23 | C24 | H38 | 108.3° | 109.5° |
| C23 | C24 | H39 | 108.4° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H26 | 109.5° | 109.4° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C25 | C24 | H38 | 108.4° | 109.5° |
| C25 | C24 | H39 | 108.4° | 109.4° |
| H1 | C11 | H2 | 109.5° | 109.4° |
| H3 | C12 | H4 | 109.4° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.4° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H13 | C18 | H14 | 109.4° | 109.4° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.4° |
| H21 | C22 | H22 | 109.4° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.4° |
| H25 | C25 | H27 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.4° | 109.5° |
| H28 | N | H29 | 109.5° | 111.0° |
| H31 | C1 | H32 | 109.5° | 109.5° |
| H31 | C1 | H33 | 109.4° | 109.5° |
| H32 | C1 | H33 | 109.5° | 109.5° |
| H34 | C10 | H35 | 109.5° | 109.5° |
| H36 | C2 | H37 | 109.5° | 109.4° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| H40 | C3 | H41 | 109.5° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.5° |
| H44 | C5 | H45 | 109.5° | 109.5° |
| H46 | C6 | H47 | 109.5° | 109.4° |
| H48 | C8 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C12 | C11 | H3 | 120.2° | 120.0° |
| N | C12 | C11 | H4 | 120.2° | 120.0° |
| N | C12 | C11 | O5 | 149.2° | 65.0° |
| N | C12 | C11 | H1 | 90.8° | 175.0° |
| N | C12 | C11 | H2 | 29.2° | 55.0° |
| N | C12 | H3 | H4 | 119.3° | 120.0° |
| C12 | N | H28 | H29 | 120.0° | 124.0° |
| C12 | C11 | O5 | H1 | 120.0° | 120.0° |
| C12 | C11 | O5 | H2 | 120.0° | 120.0° |
| C12 | C11 | O5 | P | 148.5° | 180.0° |
| C12 | C11 | H1 | H2 | 120.0° | 120.0° |
| C11 | C12 | H3 | H4 | 119.3° | 120.0° |
| C11 | C12 | N | H28 | 180.0° | 180.0° |
| C11 | C12 | N | H29 | 60.0° | 56.0° |
| C11 | O5 | P | O3 | 74.8° | 55.1° |
| C11 | O5 | P | O4 | 45.9° | 65.0° |
| C11 | O5 | P | O2 | 165.3° | 175.0° |
| O5 | C11 | H1 | H2 | 120.0° | 120.0° |
| O5 | C11 | C12 | H3 | 28.9° | 175.0° |
| O5 | C11 | C12 | H4 | 90.6° | 55.0° |
| O5 | P | O3 | O4 | 118.7° | 120.0° |
| O5 | P | O3 | O2 | 121.0° | 120.0° |
| O5 | P | O4 | O2 | 120.6° | 120.0° |
| O5 | P | O2 | C10 | 59.1° | 174.9° |
| P | O5 | C11 | H1 | 28.5° | 60.0° |
| P | O5 | C11 | H2 | 91.5° | 60.0° |
| O5 | P | O4 | H51 | 119.0° | 60.0° |
| O3 | P | O4 | O2 | 120.4° | 120.0° |
| O3 | P | O2 | C10 | 178.7° | 55.0° |
| O3 | P | O4 | H51 | 0.0° | 180.0° |
| O4 | P | O2 | C10 | 59.7° | 65.0° |
| P | O2 | C10 | C9 | 103.4° | 180.0° |
| P | O2 | C10 | H34 | 136.6° | 60.0° |
| P | O2 | C10 | H35 | 16.6° | 60.1° |
| O2 | P | O4 | H51 | 120.4° | 60.0° |
| O2 | C10 | C9 | H34 | 120.0° | 120.1° |
| O2 | C10 | C9 | H35 | 120.0° | 119.9° |
| O2 | C10 | C9 | C8 | 87.5° | 55.1° |
| O2 | C10 | C9 | O6 | 32.9° | 65.0° |
| O2 | C10 | H34 | H35 | 120.1° | 120.0° |
| O2 | C10 | C9 | H50 | 153.4° | 175.0° |
| C10 | C9 | C8 | O6 | 121.1° | 120.1° |
| C10 | C9 | C8 | H50 | 119.1° | 120.0° |
| C10 | C9 | C8 | O1 | 130.1° | 55.0° |
| C10 | C9 | O6 | H50 | 119.4° | 120.0° |
| C10 | C9 | O6 | C13 | 80.5° | 90.0° |
| C9 | C10 | H34 | H35 | 120.1° | 120.0° |
| C10 | C9 | C8 | H48 | 10.4° | 175.0° |
| C10 | C9 | C8 | H49 | 110.1° | 65.0° |
| C9 | C8 | O1 | H48 | 119.8° | 120.0° |
| C9 | C8 | O1 | H49 | 119.8° | 120.0° |
| C8 | C9 | O6 | H50 | 118.6° | 119.9° |
| C9 | C8 | O1 | C7 | 114.2° | 180.0° |
| C8 | C9 | O6 | C13 | 157.5° | 149.9° |
| C8 | C9 | C10 | H34 | 152.5° | 65.0° |
| C8 | C9 | C10 | H35 | 32.5° | 175.0° |
| C9 | C8 | H48 | H49 | 120.7° | 120.0° |
| O1 | C8 | C9 | O6 | 108.7° | 65.0° |
| C8 | O1 | C7 | O | 74.9° | 0.1° |
| C8 | O1 | C7 | C6 | 104.6° | 180.0° |
| O1 | C8 | H48 | H49 | 120.7° | 120.0° |
| O1 | C8 | C9 | H50 | 11.0° | 175.0° |
| C9 | O6 | C13 | O7 | 61.1° | 0.1° |
| C9 | O6 | C13 | C14 | 118.8° | 180.0° |
| O6 | C9 | C10 | H34 | 87.1° | 175.0° |
| O6 | C9 | C10 | H35 | 152.9° | 54.9° |
| O6 | C9 | C8 | H48 | 131.5° | 54.9° |
| O6 | C9 | C8 | H49 | 11.1° | 175.0° |
| O1 | C7 | O | C6 | 179.5° | 179.9° |
| O1 | C7 | C6 | C5 | 177.2° | 180.0° |
| O1 | C7 | C6 | H46 | 62.6° | 60.0° |
| O1 | C7 | C6 | H47 | 56.9° | 59.9° |
| C7 | O1 | C8 | H48 | 126.1° | 59.9° |
| C7 | O1 | C8 | H49 | 5.6° | 60.0° |
| O6 | C13 | O7 | C14 | 179.9° | 179.9° |
| O6 | C13 | C14 | C15 | 96.4° | 180.0° |
| O6 | C13 | C14 | H5 | 143.3° | 60.1° |
| O6 | C13 | C14 | H6 | 24.0° | 60.0° |
| C13 | O6 | C9 | H50 | 38.9° | 30.0° |
| O7 | C13 | C14 | C15 | 83.7° | 0.0° |
| O7 | C13 | C14 | H5 | 36.7° | 120.0° |
| O7 | C13 | C14 | H6 | 155.9° | 119.9° |
| O | C7 | C6 | C5 | 3.4° | 0.1° |
| O | C7 | C6 | H46 | 116.9° | 120.1° |
| O | C7 | C6 | H47 | 123.6° | 120.0° |
| C7 | C6 | C5 | H46 | 120.3° | 120.0° |
| C7 | C6 | C5 | H47 | 120.3° | 120.0° |
| C7 | C6 | C5 | C4 | 165.8° | 180.0° |
| C7 | C6 | C5 | H44 | 45.3° | 60.0° |
| C7 | C6 | C5 | H45 | 73.8° | 60.0° |
| C7 | C6 | H46 | H47 | 119.2° | 120.0° |
| C13 | C14 | C15 | H5 | 120.4° | 120.0° |
| C13 | C14 | C15 | H6 | 120.4° | 120.0° |
| C13 | C14 | C15 | C16 | 136.2° | 180.0° |
| C13 | C14 | H5 | H6 | 118.8° | 120.0° |
| C13 | C14 | C15 | H7 | 15.8° | 60.0° |
| C13 | C14 | C15 | H8 | 103.5° | 60.0° |
| C6 | C5 | C4 | H44 | 120.4° | 119.9° |
| C6 | C5 | C4 | H45 | 120.4° | 120.0° |
| C6 | C5 | C4 | C3 | 131.8° | 180.0° |
| C6 | C5 | C4 | H42 | 11.3° | 60.0° |
| C6 | C5 | C4 | H43 | 107.6° | 60.0° |
| C6 | C5 | H44 | H45 | 118.6° | 120.0° |
| C5 | C6 | H46 | H47 | 119.2° | 120.0° |
| C14 | C15 | C16 | H7 | 120.3° | 120.0° |
| C14 | C15 | C16 | H8 | 120.3° | 120.1° |
| C14 | C15 | C16 | C17 | 176.5° | 180.0° |
| C15 | C14 | H5 | H6 | 118.8° | 120.0° |
| C14 | C15 | H7 | H8 | 119.0° | 120.0° |
| C14 | C15 | C16 | H9 | 62.8° | 60.0° |
| C14 | C15 | C16 | H10 | 55.8° | 60.0° |
| C15 | C16 | C17 | H9 | 120.6° | 120.0° |
| C15 | C16 | C17 | H10 | 120.7° | 120.1° |
| C15 | C16 | C17 | C18 | 131.4° | 179.9° |
| C16 | C15 | C14 | H5 | 103.5° | 60.1° |
| C16 | C15 | C14 | H6 | 15.8° | 60.0° |
| C16 | C15 | H7 | H8 | 119.1° | 120.0° |
| C15 | C16 | H9 | H10 | 118.0° | 120.0° |
| C15 | C16 | C17 | H11 | 11.1° | 60.0° |
| C15 | C16 | C17 | H12 | 108.3° | 60.0° |
| C5 | C4 | C3 | H42 | 120.6° | 120.0° |
| C5 | C4 | C3 | H43 | 120.6° | 120.0° |
| C5 | C4 | C3 | C2 | 144.4° | 180.0° |
| C5 | C4 | C3 | H40 | 23.9° | 60.0° |
| C5 | C4 | C3 | H41 | 95.2° | 60.0° |
| C5 | C4 | H42 | H43 | 118.2° | 120.0° |
| C4 | C5 | H44 | H45 | 118.7° | 120.0° |
| C4 | C5 | C6 | H46 | 74.0° | 60.0° |
| C4 | C5 | C6 | H47 | 45.5° | 60.0° |
| C16 | C17 | C18 | H11 | 120.3° | 120.0° |
| C16 | C17 | C18 | H12 | 120.3° | 120.0° |
| C16 | C17 | C18 | C19 | 62.7° | 180.0° |
| C17 | C16 | C15 | H7 | 56.1° | 60.0° |
| C17 | C16 | C15 | H8 | 63.2° | 59.9° |
| C17 | C16 | H9 | H10 | 118.0° | 120.0° |
| C16 | C17 | H11 | H12 | 119.1° | 120.0° |
| C16 | C17 | C18 | H13 | 58.0° | 60.0° |
| C16 | C17 | C18 | H14 | 176.7° | 60.0° |
| C4 | C3 | C2 | H40 | 120.4° | 120.0° |
| C4 | C3 | C2 | H41 | 120.4° | 120.0° |
| C4 | C3 | C2 | C1 | 149.9° | 180.0° |
| C4 | C3 | C2 | H36 | 29.5° | 60.0° |
| C4 | C3 | C2 | H37 | 89.7° | 60.0° |
| C4 | C3 | H40 | H41 | 118.7° | 120.0° |
| C3 | C4 | H42 | H43 | 118.2° | 120.0° |
| C3 | C4 | C5 | H44 | 107.7° | 60.0° |
| C3 | C4 | C5 | H45 | 11.4° | 60.0° |
| C17 | C18 | C19 | H13 | 120.6° | 120.1° |
| C17 | C18 | C19 | H14 | 120.6° | 120.0° |
| C17 | C18 | C19 | C20 | 143.9° | 180.0° |
| C18 | C17 | C16 | H9 | 107.9° | 60.0° |
| C18 | C17 | C16 | H10 | 10.7° | 60.0° |
| C18 | C17 | H11 | H12 | 119.1° | 119.9° |
| C17 | C18 | H13 | H14 | 118.1° | 120.0° |
| C17 | C18 | C19 | H15 | 95.5° | 60.0° |
| C17 | C18 | C19 | H16 | 23.4° | 60.1° |
| C18 | C19 | C20 | H15 | 120.5° | 120.0° |
| C18 | C19 | C20 | H16 | 120.5° | 120.0° |
| C18 | C19 | C20 | C21 | 81.9° | 180.0° |
| C19 | C18 | C17 | H11 | 177.1° | 60.0° |
| C19 | C18 | C17 | H12 | 57.6° | 60.0° |
| C19 | C18 | H13 | H14 | 118.1° | 120.0° |
| C18 | C19 | H15 | H16 | 118.3° | 120.0° |
| C18 | C19 | C20 | H17 | 157.6° | 60.0° |
| C18 | C19 | C20 | H18 | 38.6° | 60.0° |
| C3 | C2 | C1 | H36 | 120.4° | 120.0° |
| C3 | C2 | C1 | H37 | 120.4° | 120.0° |
| C3 | C2 | C1 | H31 | 180.0° | 60.0° |
| C3 | C2 | C1 | H32 | 60.0° | 60.0° |
| C3 | C2 | C1 | H33 | 60.0° | 180.0° |
| C3 | C2 | H36 | H37 | 118.7° | 120.0° |
| C2 | C3 | H40 | H41 | 118.7° | 120.0° |
| C2 | C3 | C4 | H42 | 95.0° | 60.0° |
| C2 | C3 | C4 | H43 | 23.8° | 60.1° |
| C19 | C20 | C21 | H17 | 120.5° | 120.0° |
| C19 | C20 | C21 | H18 | 120.5° | 120.0° |
| C19 | C20 | C21 | C22 | 134.7° | 180.0° |
| C20 | C19 | C18 | H13 | 23.3° | 60.0° |
| C20 | C19 | C18 | H14 | 95.4° | 60.0° |
| C20 | C19 | H15 | H16 | 118.3° | 120.0° |
| C19 | C20 | H17 | H18 | 118.4° | 120.0° |
| C19 | C20 | C21 | H19 | 104.5° | 59.9° |
| C19 | C20 | C21 | H20 | 13.9° | 59.9° |
| C20 | C21 | C22 | H19 | 120.8° | 120.0° |
| C20 | C21 | C22 | H20 | 120.8° | 120.0° |
| C20 | C21 | C22 | C23 | 124.8° | 180.0° |
| C21 | C20 | C19 | H15 | 38.7° | 60.0° |
| C21 | C20 | C19 | H16 | 157.6° | 60.0° |
| C21 | C20 | H17 | H18 | 118.4° | 120.0° |
| C20 | C21 | H19 | H20 | 117.5° | 119.9° |
| C20 | C21 | C22 | H21 | 4.3° | 60.0° |
| C20 | C21 | C22 | H22 | 114.7° | 60.0° |
| C21 | C22 | C23 | H21 | 120.5° | 120.0° |
| C21 | C22 | C23 | H22 | 120.5° | 120.1° |
| C21 | C22 | C23 | C24 | 161.5° | 180.0° |
| C22 | C21 | C20 | H17 | 14.1° | 60.0° |
| C22 | C21 | C20 | H18 | 104.8° | 60.0° |
| C22 | C21 | H19 | H20 | 117.6° | 120.1° |
| C21 | C22 | H21 | H22 | 118.6° | 120.0° |
| C21 | C22 | C23 | H23 | 78.1° | 60.0° |
| C21 | C22 | C23 | H24 | 41.1° | 60.0° |
| C22 | C23 | C24 | H23 | 120.4° | 120.0° |
| C22 | C23 | C24 | H24 | 120.4° | 120.0° |
| C22 | C23 | C24 | C25 | 155.2° | 180.0° |
| C23 | C22 | C21 | H19 | 114.4° | 60.0° |
| C23 | C22 | C21 | H20 | 4.0° | 60.0° |
| C23 | C22 | H21 | H22 | 118.6° | 120.0° |
| C22 | C23 | H23 | H24 | 118.8° | 120.0° |
| C22 | C23 | C24 | H38 | 34.5° | 60.0° |
| C22 | C23 | C24 | H39 | 84.2° | 60.0° |
| C2 | C1 | H31 | H32 | 120.0° | 120.0° |
| C2 | C1 | H31 | H33 | 120.0° | 120.0° |
| C2 | C1 | H32 | H33 | 120.0° | 120.0° |
| C1 | C2 | H36 | H37 | 118.8° | 120.0° |
| C1 | C2 | C3 | H40 | 89.6° | 60.0° |
| C1 | C2 | C3 | H41 | 29.5° | 60.0° |
| C23 | C24 | C25 | H38 | 120.6° | 120.0° |
| C23 | C24 | C25 | H39 | 120.6° | 120.0° |
| C24 | C23 | C22 | H21 | 41.0° | 60.0° |
| C24 | C23 | C22 | H22 | 78.0° | 60.0° |
| C24 | C23 | H23 | H24 | 118.7° | 120.0° |
| C23 | C24 | C25 | H25 | 180.0° | 60.0° |
| C23 | C24 | C25 | H26 | 60.0° | 60.0° |
| C23 | C24 | C25 | H27 | 60.0° | 180.0° |
| C23 | C24 | H38 | H39 | 118.0° | 120.0° |
| C25 | C24 | C23 | H23 | 84.4° | 60.0° |
| C25 | C24 | C23 | H24 | 34.7° | 60.0° |
| C24 | C25 | H25 | H26 | 120.0° | 120.0° |
| C24 | C25 | H25 | H27 | 120.0° | 120.0° |
| C24 | C25 | H26 | H27 | 120.0° | 120.0° |
| C25 | C24 | H38 | H39 | 118.0° | 120.0° |
| H1 | C11 | C12 | H3 | 148.9° | 55.0° |
| H1 | C11 | C12 | H4 | 29.4° | 65.0° |
| H2 | C11 | C12 | H3 | 91.1° | 65.0° |
| H2 | C11 | C12 | H4 | 149.4° | 175.0° |
| H3 | C12 | N | H28 | 59.7° | 60.0° |
| H3 | C12 | N | H29 | 60.2° | 176.0° |
| H4 | C12 | N | H28 | 59.8° | 60.0° |
| H4 | C12 | N | H29 | 179.8° | 64.0° |
| H5 | C14 | C15 | H7 | 136.2° | 180.0° |
| H5 | C14 | C15 | H8 | 16.9° | 60.0° |
| H6 | C14 | C15 | H7 | 104.6° | 60.0° |
| H6 | C14 | C15 | H8 | 136.1° | 180.0° |
| H7 | C15 | C16 | H9 | 176.8° | NaN° |
| H7 | C15 | C16 | H10 | 64.5° | 60.0° |
| H8 | C15 | C16 | H9 | 57.4° | 60.1° |
| H8 | C15 | C16 | H10 | 176.1° | 180.0° |
| H9 | C16 | C17 | H11 | 131.8° | 179.9° |
| H9 | C16 | C17 | H12 | 12.4° | 60.0° |
| H10 | C16 | C17 | H11 | 109.6° | 60.1° |
| H10 | C16 | C17 | H12 | 131.1° | 179.9° |
| H11 | C17 | C18 | H13 | 62.3° | 180.0° |
| H11 | C17 | C18 | H14 | 56.4° | 60.0° |
| H12 | C17 | C18 | H13 | 178.3° | 60.0° |
| H12 | C17 | C18 | H14 | 63.0° | 180.0° |
| H13 | C18 | C19 | H15 | 143.8° | 179.9° |
| H13 | C18 | C19 | H16 | 97.3° | 60.0° |
| H14 | C18 | C19 | H15 | 25.1° | 60.0° |
| H14 | C18 | C19 | H16 | 144.0° | 180.0° |
| H15 | C19 | C20 | H17 | 81.9° | 180.0° |
| H15 | C19 | C20 | H18 | 159.2° | 60.0° |
| H16 | C19 | C20 | H17 | 37.0° | 60.0° |
| H16 | C19 | C20 | H18 | 81.9° | 180.0° |
| H17 | C20 | C21 | H19 | 134.9° | 179.9° |
| H17 | C20 | C21 | H20 | 106.6° | 60.0° |
| H18 | C20 | C21 | H19 | 16.0° | 60.0° |
| H18 | C20 | C21 | H20 | 134.4° | 179.9° |
| H19 | C21 | C22 | H21 | 125.1° | 180.0° |
| H19 | C21 | C22 | H22 | 6.0° | 60.0° |
| H20 | C21 | C22 | H21 | 116.4° | 60.1° |
| H20 | C21 | C22 | H22 | 124.5° | 180.0° |
| H21 | C22 | C23 | H23 | 161.4° | 179.9° |
| H21 | C22 | C23 | H24 | 79.4° | 60.0° |
| H22 | C22 | C23 | H23 | 42.3° | 60.0° |
| H22 | C22 | C23 | H24 | 161.5° | 179.9° |
| H23 | C23 | C24 | H38 | 154.9° | 180.0° |
| H23 | C23 | C24 | H39 | 36.2° | 60.0° |
| H24 | C23 | C24 | H38 | 85.9° | 60.0° |
| H24 | C23 | C24 | H39 | 155.4° | 180.0° |
| H25 | C25 | H26 | H27 | 120.0° | 120.0° |
| H25 | C25 | C24 | H38 | 59.4° | 179.9° |
| H25 | C25 | C24 | H39 | 59.4° | 60.0° |
| H26 | C25 | C24 | H38 | 179.4° | 60.0° |
| H26 | C25 | C24 | H39 | 60.7° | 180.0° |
| H27 | C25 | C24 | H38 | 60.6° | 60.0° |
| H27 | C25 | C24 | H39 | 179.4° | 60.0° |
| H31 | C1 | H32 | H33 | 120.0° | 120.0° |
| H31 | C1 | C2 | H36 | 59.6° | 60.0° |
| H31 | C1 | C2 | H37 | 59.6° | 180.0° |
| H32 | C1 | C2 | H36 | 179.6° | 180.0° |
| H32 | C1 | C2 | H37 | 60.4° | 60.0° |
| H33 | C1 | C2 | H36 | 60.4° | 60.0° |
| H33 | C1 | C2 | H37 | 179.6° | 60.0° |
| H34 | C10 | C9 | H50 | 33.4° | 55.0° |
| H35 | C10 | C9 | H50 | 86.6° | 65.1° |
| H36 | C2 | C3 | H40 | 150.0° | 179.9° |
| H36 | C2 | C3 | H41 | 90.9° | 60.0° |
| H37 | C2 | C3 | H40 | 30.8° | 60.0° |
| H37 | C2 | C3 | H41 | 149.9° | 180.0° |
| H40 | C3 | C4 | H42 | 144.5° | 180.0° |
| H40 | C3 | C4 | H43 | 96.6° | 60.0° |
| H41 | C3 | C4 | H42 | 25.4° | 60.0° |
| H41 | C3 | C4 | H43 | 144.3° | 180.0° |
| H42 | C4 | C5 | H44 | 131.7° | 179.9° |
| H42 | C4 | C5 | H45 | 109.1° | 60.0° |
| H43 | C4 | C5 | H44 | 12.8° | 60.0° |
| H43 | C4 | C5 | H45 | 132.0° | 180.0° |
| H44 | C5 | C6 | H46 | 165.6° | 180.0° |
| H44 | C5 | C6 | H47 | 75.0° | 60.0° |
| H45 | C5 | C6 | H46 | 46.5° | 60.0° |
| H45 | C5 | C6 | H47 | 165.9° | 180.0° |
| H48 | C8 | C9 | H50 | 108.7° | 65.0° |
| H49 | C8 | C9 | H50 | 130.8° | 55.0° |
