XKP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C10 | sing | 1.47Å | 1.45Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | O5 | sing | 1.43Å | 1.40Å | |
| O4 | P | doub | 1.48Å | 1.51Å | |
| O5 | P | sing | 1.61Å | 1.65Å | |
| P | O3 | sing | 1.61Å | 1.51Å | |
| P | O2 | sing | 1.61Å | 1.65Å | |
| O2 | C8 | sing | 1.43Å | 1.40Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | O1 | sing | 1.45Å | 1.40Å | |
| C7 | O6 | sing | 1.45Å | 1.40Å | |
| O6 | C11 | sing | 1.34Å | 1.40Å | |
| O1 | C5 | sing | 1.34Å | 1.40Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | O7 | doub | 1.21Å | 1.18Å | |
| C5 | O | doub | 1.21Å | 1.18Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C17 | C22 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H39 | sing | 1.09Å | 1.10Å | |
| C12 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.09Å | 1.10Å | |
| C13 | H42 | sing | 1.09Å | 1.10Å | |
| C13 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H46 | sing | 1.09Å | 1.10Å | |
| O3 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C10 | C9 | 110.0° | 109.5° |
| C10 | N | H10 | 109.5° | 111.0° |
| C10 | N | H11 | 109.5° | 111.0° |
| N | C10 | H38 | 109.3° | 109.5° |
| N | C10 | H39 | 109.3° | 109.4° |
| C10 | C9 | O5 | 108.7° | 109.5° |
| C10 | C9 | H32 | 109.7° | 109.4° |
| C10 | C9 | H33 | 109.7° | 109.5° |
| C9 | C10 | H38 | 109.4° | 109.5° |
| C9 | C10 | H39 | 109.4° | 109.5° |
| C9 | O5 | P | 118.5° | 123.0° |
| O5 | C9 | H32 | 109.7° | 109.5° |
| O5 | C9 | H33 | 109.6° | 109.5° |
| O4 | P | O5 | 108.2° | 109.5° |
| O4 | P | O3 | 109.3° | 109.5° |
| O4 | P | O2 | 109.7° | 109.5° |
| O5 | P | O3 | 109.8° | 109.5° |
| O5 | P | O2 | 110.0° | 109.5° |
| O3 | P | O2 | 109.9° | 109.4° |
| P | O3 | H47 | 109.5° | 114.0° |
| P | O2 | C8 | 118.8° | 123.1° |
| O2 | C8 | C7 | 110.7° | 109.5° |
| O2 | C8 | H34 | 109.2° | 109.4° |
| O2 | C8 | H35 | 109.1° | 109.5° |
| C8 | C7 | C6 | 109.5° | 109.5° |
| C8 | C7 | O6 | 108.9° | 109.5° |
| C8 | C7 | H25 | 108.5° | 109.5° |
| C7 | C8 | H34 | 109.1° | 109.5° |
| C7 | C8 | H35 | 109.2° | 109.5° |
| C7 | C6 | O1 | 109.5° | 109.5° |
| C6 | C7 | O6 | 111.1° | 109.4° |
| C7 | C6 | H23 | 109.4° | 109.5° |
| C7 | C6 | H24 | 109.5° | 109.4° |
| C6 | C7 | H25 | 108.4° | 109.5° |
| C6 | O1 | C5 | 115.6° | 117.0° |
| O1 | C6 | H23 | 109.5° | 109.5° |
| O1 | C6 | H24 | 109.4° | 109.5° |
| C7 | O6 | C11 | 114.6° | 117.0° |
| O6 | C7 | H25 | 110.3° | 109.5° |
| O6 | C11 | C12 | 119.0° | 120.0° |
| O6 | C11 | O7 | 120.5° | 120.0° |
| O1 | C5 | O | 118.8° | 120.0° |
| O1 | C5 | C4 | 121.2° | 120.1° |
| C12 | C11 | O7 | 120.5° | 120.0° |
| C11 | C12 | C13 | 114.8° | 109.5° |
| C11 | C12 | H40 | 108.1° | 109.4° |
| C11 | C12 | H41 | 108.1° | 109.5° |
| O | C5 | C4 | 120.0° | 120.0° |
| C5 | C4 | C3 | 112.9° | 109.5° |
| C5 | C4 | H15 | 108.6° | 109.4° |
| C5 | C4 | H16 | 108.6° | 109.5° |
| C12 | C13 | C14 | 111.4° | 109.5° |
| C13 | C12 | H40 | 108.1° | 109.5° |
| C13 | C12 | H41 | 108.1° | 109.5° |
| C12 | C13 | H42 | 109.0° | 109.5° |
| C12 | C13 | H43 | 109.0° | 109.4° |
| C4 | C3 | C2 | 114.0° | 109.5° |
| C4 | C3 | H13 | 108.4° | 109.5° |
| C4 | C3 | H14 | 108.3° | 109.5° |
| C3 | C4 | H15 | 108.6° | 109.5° |
| C3 | C4 | H16 | 108.6° | 109.5° |
| C15 | C16 | C18 | 111.9° | 109.5° |
| C16 | C15 | C14 | 111.2° | 109.4° |
| C16 | C15 | H3 | 109.0° | 109.5° |
| C16 | C15 | H4 | 109.0° | 109.5° |
| C15 | C16 | H36 | 108.8° | 109.5° |
| C15 | C16 | H37 | 108.9° | 109.5° |
| C16 | C18 | C19 | 112.6° | 109.5° |
| C16 | C18 | H28 | 108.7° | 109.5° |
| C16 | C18 | H29 | 108.7° | 109.5° |
| C18 | C16 | H36 | 108.9° | 109.4° |
| C18 | C16 | H37 | 108.9° | 109.4° |
| C15 | C14 | C13 | 115.1° | 109.4° |
| C15 | C14 | H1 | 108.1° | 109.5° |
| C15 | C14 | H2 | 108.1° | 109.5° |
| C14 | C15 | H3 | 109.1° | 109.5° |
| C14 | C15 | H4 | 109.1° | 109.5° |
| C13 | C14 | H1 | 108.0° | 109.4° |
| C13 | C14 | H2 | 108.0° | 109.4° |
| C14 | C13 | H42 | 109.0° | 109.5° |
| C14 | C13 | H43 | 109.0° | 109.5° |
| C3 | C2 | C1 | 112.4° | 109.5° |
| C2 | C3 | H13 | 108.3° | 109.5° |
| C2 | C3 | H14 | 108.3° | 109.5° |
| C3 | C2 | H17 | 108.7° | 109.4° |
| C3 | C2 | H18 | 108.7° | 109.5° |
| C18 | C19 | C17 | 112.3° | 109.5° |
| C18 | C19 | H26 | 108.8° | 109.5° |
| C18 | C19 | H27 | 108.8° | 109.5° |
| C19 | C18 | H28 | 108.7° | 109.4° |
| C19 | C18 | H29 | 108.7° | 109.5° |
| C19 | C17 | C22 | 113.3° | 109.5° |
| C17 | C19 | H26 | 108.8° | 109.4° |
| C17 | C19 | H27 | 108.8° | 109.5° |
| C19 | C17 | H30 | 108.5° | 109.5° |
| C19 | C17 | H31 | 108.5° | 109.5° |
| C2 | C1 | C | 112.9° | 109.5° |
| C1 | C2 | H17 | 108.7° | 109.5° |
| C1 | C2 | H18 | 108.7° | 109.5° |
| C2 | C1 | H19 | 108.6° | 109.5° |
| C2 | C1 | H20 | 108.6° | 109.5° |
| C22 | C17 | H30 | 108.5° | 109.5° |
| C22 | C17 | H31 | 108.5° | 109.4° |
| C17 | C22 | H44 | 109.5° | 109.4° |
| C17 | C22 | H45 | 109.4° | 109.4° |
| C17 | C22 | H46 | 109.5° | 109.5° |
| C1 | C | C20 | 112.1° | 109.5° |
| C | C1 | H19 | 108.6° | 109.5° |
| C | C1 | H20 | 108.6° | 109.5° |
| C1 | C | H21 | 108.8° | 109.4° |
| C1 | C | H22 | 108.8° | 109.5° |
| C | C20 | C21 | 112.2° | 109.4° |
| C | C20 | H5 | 108.8° | 109.5° |
| C | C20 | H6 | 108.8° | 109.5° |
| C20 | C | H21 | 108.8° | 109.5° |
| C20 | C | H22 | 108.8° | 109.5° |
| C21 | C20 | H5 | 108.8° | 109.5° |
| C21 | C20 | H6 | 108.8° | 109.5° |
| C20 | C21 | H7 | 109.5° | 109.5° |
| C20 | C21 | H8 | 109.5° | 109.5° |
| C20 | C21 | H9 | 109.5° | 109.5° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.4° | 109.4° |
| H5 | C20 | H6 | 109.4° | 109.5° |
| H7 | C21 | H8 | 109.4° | 109.5° |
| H7 | C21 | H9 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.4° | 109.5° |
| H10 | N | H11 | 109.5° | 111.0° |
| H13 | C3 | H14 | 109.5° | 109.4° |
| H15 | C4 | H16 | 109.5° | 109.5° |
| H17 | C2 | H18 | 109.5° | 109.4° |
| H19 | C1 | H20 | 109.4° | 109.4° |
| H21 | C | H22 | 109.5° | 109.5° |
| H23 | C6 | H24 | 109.5° | 109.4° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| H32 | C9 | H33 | 109.5° | 109.5° |
| H34 | C8 | H35 | 109.5° | 109.4° |
| H36 | C16 | H37 | 109.5° | 109.6° |
| H38 | C10 | H39 | 109.4° | 109.5° |
| H40 | C12 | H41 | 109.5° | 109.5° |
| H42 | C13 | H43 | 109.5° | 109.4° |
| H44 | C22 | H45 | 109.5° | 109.5° |
| H44 | C22 | H46 | 109.4° | 109.5° |
| H45 | C22 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C10 | C9 | H38 | 120.1° | 120.0° |
| N | C10 | C9 | H39 | 120.1° | 120.0° |
| N | C10 | C9 | O5 | 95.6° | 65.0° |
| C10 | N | H10 | H11 | 120.0° | 124.0° |
| N | C10 | C9 | H32 | 144.5° | 175.0° |
| N | C10 | C9 | H33 | 24.2° | 55.0° |
| N | C10 | H38 | H39 | 119.7° | 120.0° |
| C10 | C9 | O5 | H32 | 119.9° | 119.9° |
| C10 | C9 | O5 | H33 | 119.9° | 120.0° |
| C10 | C9 | O5 | P | 167.8° | 180.0° |
| C9 | C10 | N | H10 | 180.0° | 56.0° |
| C9 | C10 | N | H11 | 60.0° | 180.0° |
| C10 | C9 | H32 | H33 | 120.4° | 120.0° |
| C9 | C10 | H38 | H39 | 119.8° | 120.0° |
| C9 | O5 | P | O4 | 30.9° | 54.9° |
| C9 | O5 | P | O3 | 88.3° | 65.1° |
| C9 | O5 | P | O2 | 150.6° | 175.0° |
| O5 | C9 | H32 | H33 | 120.3° | 120.0° |
| O5 | C9 | C10 | H38 | 24.4° | 55.0° |
| O5 | C9 | C10 | H39 | 144.3° | 175.0° |
| O4 | P | O5 | O3 | 119.2° | 120.0° |
| O4 | P | O5 | O2 | 119.7° | 120.0° |
| O4 | P | O3 | O2 | 120.4° | 120.0° |
| O4 | P | O2 | C8 | 162.0° | 55.0° |
| O4 | P | O3 | H47 | 0.0° | 180.0° |
| O5 | P | O3 | O2 | 121.1° | 120.0° |
| O5 | P | O2 | C8 | 79.1° | 175.0° |
| P | O5 | C9 | H32 | 48.0° | 60.1° |
| P | O5 | C9 | H33 | 72.3° | 60.0° |
| O5 | P | O3 | H47 | 118.5° | 60.0° |
| O3 | P | O2 | C8 | 41.8° | 65.0° |
| P | O2 | C8 | C7 | 118.2° | 180.0° |
| P | O2 | C8 | H34 | 121.6° | 59.9° |
| P | O2 | C8 | H35 | 2.0° | 60.0° |
| O2 | P | O3 | H47 | 120.4° | 60.0° |
| O2 | C8 | C7 | H34 | 120.2° | 120.0° |
| O2 | C8 | C7 | H35 | 120.2° | 120.0° |
| O2 | C8 | C7 | C6 | 62.8° | 55.0° |
| O2 | C8 | C7 | O6 | 58.9° | 65.0° |
| O2 | C8 | C7 | H25 | 179.0° | 175.0° |
| O2 | C8 | H34 | H35 | 119.4° | 119.9° |
| C8 | C7 | C6 | O6 | 120.4° | 120.0° |
| C8 | C7 | C6 | H25 | 118.3° | 120.0° |
| C8 | C7 | C6 | O1 | 77.5° | 55.0° |
| C8 | C7 | O6 | H25 | 119.0° | 120.1° |
| C8 | C7 | O6 | C11 | 156.3° | 90.0° |
| C8 | C7 | C6 | H23 | 42.5° | 175.0° |
| C8 | C7 | C6 | H24 | 162.5° | 65.0° |
| C7 | C8 | H34 | H35 | 119.4° | 120.0° |
| C7 | C6 | O1 | H23 | 120.0° | 120.0° |
| C7 | C6 | O1 | H24 | 120.0° | 120.0° |
| C6 | C7 | O6 | H25 | 120.3° | 120.0° |
| C6 | C7 | O6 | C11 | 83.0° | 150.0° |
| C7 | C6 | O1 | C5 | 87.5° | 180.0° |
| C7 | C6 | H23 | H24 | 120.0° | 119.9° |
| C6 | C7 | C8 | H34 | 177.0° | 65.0° |
| C6 | C7 | C8 | H35 | 57.3° | 175.0° |
| O1 | C6 | C7 | O6 | 162.1° | 65.0° |
| C6 | O1 | C5 | O | 105.6° | 0.1° |
| C6 | O1 | C5 | C4 | 75.4° | 180.0° |
| O1 | C6 | H23 | H24 | 120.0° | 120.0° |
| O1 | C6 | C7 | H25 | 40.7° | 175.0° |
| C7 | O6 | C11 | C12 | 107.2° | 180.0° |
| C7 | O6 | C11 | O7 | 73.0° | 0.3° |
| O6 | C7 | C6 | H23 | 77.9° | 55.0° |
| O6 | C7 | C6 | H24 | 42.1° | 175.0° |
| O6 | C7 | C8 | H34 | 61.3° | 175.0° |
| O6 | C7 | C8 | H35 | 179.0° | 55.1° |
| O6 | C11 | C12 | O7 | 179.9° | 179.8° |
| O6 | C11 | C12 | C13 | 161.8° | 179.7° |
| C11 | O6 | C7 | H25 | 37.3° | 30.0° |
| O6 | C11 | C12 | H40 | 77.4° | 59.8° |
| O6 | C11 | C12 | H41 | 41.0° | 60.2° |
| O1 | C5 | O | C4 | 179.0° | 180.0° |
| O1 | C5 | C4 | C3 | 114.6° | 180.0° |
| O1 | C5 | C4 | H15 | 124.8° | 60.0° |
| O1 | C5 | C4 | H16 | 5.9° | 60.0° |
| C5 | O1 | C6 | H23 | 152.5° | 60.0° |
| C5 | O1 | C6 | H24 | 32.5° | 60.0° |
| C11 | C12 | C13 | H40 | 120.8° | 119.9° |
| C11 | C12 | C13 | H41 | 120.8° | 120.1° |
| C11 | C12 | C13 | C14 | 149.0° | 180.0° |
| C11 | C12 | H40 | H41 | 117.6° | 120.0° |
| C11 | C12 | C13 | H42 | 28.7° | 59.9° |
| C11 | C12 | C13 | H43 | 90.7° | 60.0° |
| O7 | C11 | C12 | C13 | 18.1° | 0.1° |
| O7 | C11 | C12 | H40 | 102.7° | 120.0° |
| O7 | C11 | C12 | H41 | 138.8° | 120.0° |
| O | C5 | C4 | C3 | 66.4° | 0.0° |
| O | C5 | C4 | H15 | 54.2° | 119.9° |
| O | C5 | C4 | H16 | 173.1° | 120.0° |
| C5 | C4 | C3 | H15 | 120.5° | 119.9° |
| C5 | C4 | C3 | H16 | 120.5° | 120.0° |
| C5 | C4 | C3 | C2 | 73.4° | 180.0° |
| C5 | C4 | C3 | H13 | 165.9° | 60.0° |
| C5 | C4 | C3 | H14 | 47.3° | 60.0° |
| C5 | C4 | H15 | H16 | 118.4° | 120.0° |
| C12 | C13 | C14 | C15 | 61.6° | 180.0° |
| C12 | C13 | C14 | H42 | 120.3° | 120.0° |
| C12 | C13 | C14 | H43 | 120.3° | 120.0° |
| C12 | C13 | C14 | H1 | 177.5° | 60.0° |
| C12 | C13 | C14 | H2 | 59.2° | 60.0° |
| C13 | C12 | H40 | H41 | 117.6° | 120.0° |
| C12 | C13 | H42 | H43 | 119.1° | 119.9° |
| C4 | C3 | C2 | H13 | 120.7° | 120.0° |
| C4 | C3 | C2 | H14 | 120.7° | 120.0° |
| C4 | C3 | C2 | C1 | 177.1° | 180.0° |
| C4 | C3 | H13 | H14 | 117.9° | 120.0° |
| C3 | C4 | H15 | H16 | 118.4° | 120.1° |
| C4 | C3 | C2 | H17 | 56.6° | 60.0° |
| C4 | C3 | C2 | H18 | 62.5° | 60.0° |
| C15 | C16 | C18 | H36 | 120.3° | 120.0° |
| C15 | C16 | C18 | H37 | 120.4° | 120.0° |
| C16 | C15 | C14 | H3 | 120.3° | 120.0° |
| C16 | C15 | C14 | H4 | 120.3° | 120.0° |
| C16 | C15 | C14 | C13 | 175.2° | 180.0° |
| C15 | C16 | C18 | C19 | 175.7° | 180.0° |
| C16 | C15 | C14 | H1 | 54.4° | 60.1° |
| C16 | C15 | C14 | H2 | 64.0° | 60.0° |
| C16 | C15 | H3 | H4 | 119.2° | 120.0° |
| C15 | C16 | C18 | H28 | 63.8° | 60.0° |
| C15 | C16 | C18 | H29 | 55.2° | 60.0° |
| C15 | C16 | H36 | H37 | 118.9° | 120.0° |
| C18 | C16 | C15 | C14 | 80.5° | 180.0° |
| C16 | C18 | C19 | H28 | 120.5° | 120.0° |
| C16 | C18 | C19 | H29 | 120.4° | 120.0° |
| C16 | C18 | C19 | C17 | 168.3° | 180.0° |
| C18 | C16 | C15 | H3 | 159.2° | 60.0° |
| C18 | C16 | C15 | H4 | 39.8° | 60.0° |
| C16 | C18 | C19 | H26 | 71.2° | 60.0° |
| C16 | C18 | C19 | H27 | 48.0° | 60.0° |
| C16 | C18 | H28 | H29 | 118.5° | 120.0° |
| C18 | C16 | H36 | H37 | 118.9° | 120.0° |
| C15 | C14 | C13 | H1 | 120.8° | 120.0° |
| C15 | C14 | C13 | H2 | 120.8° | 120.0° |
| C15 | C14 | H1 | H2 | 117.5° | 120.1° |
| C14 | C15 | H3 | H4 | 119.2° | 120.0° |
| C14 | C15 | C16 | H36 | 159.1° | 60.0° |
| C14 | C15 | C16 | H37 | 39.9° | 60.1° |
| C15 | C14 | C13 | H42 | 178.1° | 60.0° |
| C15 | C14 | C13 | H43 | 58.6° | 60.0° |
| C13 | C14 | H1 | H2 | 117.4° | 120.0° |
| C13 | C14 | C15 | H3 | 64.5° | 60.0° |
| C13 | C14 | C15 | H4 | 55.0° | 60.0° |
| C14 | C13 | C12 | H40 | 90.2° | 60.0° |
| C14 | C13 | C12 | H41 | 28.2° | 60.0° |
| C14 | C13 | H42 | H43 | 119.1° | 120.1° |
| C3 | C2 | C1 | H17 | 120.4° | 120.0° |
| C3 | C2 | C1 | H18 | 120.4° | 120.0° |
| C3 | C2 | C1 | C | 90.1° | 180.0° |
| C2 | C3 | H13 | H14 | 117.9° | 120.0° |
| C2 | C3 | C4 | H15 | 47.1° | 60.1° |
| C2 | C3 | C4 | H16 | 166.1° | 60.0° |
| C3 | C2 | H17 | H18 | 118.7° | 120.0° |
| C3 | C2 | C1 | H19 | 30.4° | 60.0° |
| C3 | C2 | C1 | H20 | 149.3° | 60.0° |
| C18 | C19 | C17 | H26 | 120.4° | 120.0° |
| C18 | C19 | C17 | H27 | 120.4° | 120.0° |
| C18 | C19 | C17 | C22 | 60.2° | 180.0° |
| C18 | C19 | H26 | H27 | 118.7° | 120.0° |
| C19 | C18 | H28 | H29 | 118.6° | 120.0° |
| C18 | C19 | C17 | H30 | 179.2° | 60.0° |
| C18 | C19 | C17 | H31 | 60.3° | 60.0° |
| C19 | C18 | C16 | H36 | 55.4° | 60.0° |
| C19 | C18 | C16 | H37 | 63.9° | 60.0° |
| C19 | C17 | C22 | H30 | 120.6° | 120.0° |
| C19 | C17 | C22 | H31 | 120.6° | 120.0° |
| C17 | C19 | H26 | H27 | 118.7° | 120.0° |
| C17 | C19 | C18 | H28 | 47.9° | 60.0° |
| C17 | C19 | C18 | H29 | 71.2° | 60.0° |
| C19 | C17 | H30 | H31 | 118.2° | 120.0° |
| C19 | C17 | C22 | H44 | 180.0° | 180.0° |
| C19 | C17 | C22 | H45 | 60.0° | 60.0° |
| C19 | C17 | C22 | H46 | 60.0° | 60.0° |
| C2 | C1 | C | H19 | 120.5° | 120.0° |
| C2 | C1 | C | H20 | 120.5° | 120.0° |
| C2 | C1 | C | C20 | 178.1° | 180.0° |
| C1 | C2 | C3 | H13 | 62.2° | 60.0° |
| C1 | C2 | C3 | H14 | 56.4° | 60.0° |
| C1 | C2 | H17 | H18 | 118.6° | 120.0° |
| C2 | C1 | H19 | H20 | 118.4° | 120.0° |
| C2 | C1 | C | H21 | 57.7° | 60.0° |
| C2 | C1 | C | H22 | 61.5° | 60.0° |
| C22 | C17 | C19 | H26 | 60.2° | 60.0° |
| C22 | C17 | C19 | H27 | 179.4° | 60.0° |
| C22 | C17 | H30 | H31 | 118.3° | 120.0° |
| C17 | C22 | H44 | H45 | 120.0° | 119.9° |
| C17 | C22 | H44 | H46 | 120.0° | 120.0° |
| C17 | C22 | H45 | H46 | 120.0° | 120.0° |
| C1 | C | C20 | H21 | 120.4° | 119.9° |
| C1 | C | C20 | H22 | 120.4° | 120.0° |
| C1 | C | C20 | C21 | 111.6° | 180.0° |
| C1 | C | C20 | H5 | 8.8° | 60.1° |
| C1 | C | C20 | H6 | 127.9° | 60.0° |
| C | C1 | C2 | H17 | 149.4° | 60.0° |
| C | C1 | C2 | H18 | 30.3° | 60.0° |
| C | C1 | H19 | H20 | 118.5° | 120.0° |
| C1 | C | H21 | H22 | 118.8° | 120.0° |
| C | C20 | C21 | H5 | 120.4° | 120.0° |
| C | C20 | C21 | H6 | 120.4° | 120.0° |
| C | C20 | H5 | H6 | 118.7° | 120.0° |
| C | C20 | C21 | H7 | 180.0° | 60.0° |
| C | C20 | C21 | H8 | 60.0° | 180.0° |
| C | C20 | C21 | H9 | 60.0° | 60.0° |
| C20 | C | C1 | H19 | 61.4° | 60.0° |
| C20 | C | C1 | H20 | 57.6° | 60.0° |
| C20 | C | H21 | H22 | 118.8° | 120.0° |
| C21 | C20 | H5 | H6 | 118.7° | 120.0° |
| C20 | C21 | H7 | H8 | 120.0° | 120.0° |
| C20 | C21 | H7 | H9 | 120.0° | 120.0° |
| C20 | C21 | H8 | H9 | 120.0° | 120.0° |
| C21 | C20 | C | H21 | 128.0° | 60.0° |
| C21 | C20 | C | H22 | 8.8° | 60.0° |
| H1 | C14 | C15 | H3 | 174.7° | 60.0° |
| H1 | C14 | C15 | H4 | 65.9° | 179.9° |
| H1 | C14 | C13 | H42 | 57.2° | 180.0° |
| H1 | C14 | C13 | H43 | 62.2° | 60.0° |
| H2 | C14 | C15 | H3 | 56.3° | 179.9° |
| H2 | C14 | C15 | H4 | 175.8° | 60.0° |
| H2 | C14 | C13 | H42 | 61.1° | 60.0° |
| H2 | C14 | C13 | H43 | 179.5° | 180.0° |
| H3 | C15 | C16 | H36 | 38.9° | 179.9° |
| H3 | C15 | C16 | H37 | 80.4° | 60.0° |
| H4 | C15 | C16 | H36 | 80.6° | 60.0° |
| H4 | C15 | C16 | H37 | 160.2° | 179.9° |
| H5 | C20 | C21 | H7 | 59.6° | 180.0° |
| H5 | C20 | C21 | H8 | 179.6° | 60.0° |
| H5 | C20 | C21 | H9 | 60.4° | 60.0° |
| H5 | C20 | C | H21 | 111.6° | 180.0° |
| H5 | C20 | C | H22 | 129.2° | 60.0° |
| H6 | C20 | C21 | H7 | 59.5° | 60.0° |
| H6 | C20 | C21 | H8 | 60.4° | 60.0° |
| H6 | C20 | C21 | H9 | 179.6° | 180.0° |
| H6 | C20 | C | H21 | 7.5° | 59.9° |
| H6 | C20 | C | H22 | 111.7° | 179.9° |
| H7 | C21 | H8 | H9 | 120.0° | 120.0° |
| H10 | N | C10 | H38 | 59.9° | 176.0° |
| H10 | N | C10 | H39 | 59.9° | 63.9° |
| H11 | N | C10 | H38 | 60.1° | 60.0° |
| H11 | N | C10 | H39 | 179.9° | 60.1° |
| H13 | C3 | C4 | H15 | 73.6° | 179.9° |
| H13 | C3 | C4 | H16 | 45.4° | 60.0° |
| H13 | C3 | C2 | H17 | 177.3° | 180.0° |
| H13 | C3 | C2 | H18 | 58.2° | 60.0° |
| H14 | C3 | C4 | H15 | 167.8° | 60.0° |
| H14 | C3 | C4 | H16 | 73.2° | 180.0° |
| H14 | C3 | C2 | H17 | 64.0° | 60.0° |
| H14 | C3 | C2 | H18 | 176.8° | 180.0° |
| H17 | C2 | C1 | H19 | 90.0° | 180.0° |
| H17 | C2 | C1 | H20 | 28.9° | 60.0° |
| H18 | C2 | C1 | H19 | 150.8° | 60.1° |
| H18 | C2 | C1 | H20 | 90.2° | 180.0° |
| H19 | C1 | C | H21 | 178.2° | 60.0° |
| H19 | C1 | C | H22 | 59.0° | 180.0° |
| H20 | C1 | C | H21 | 62.8° | 180.0° |
| H20 | C1 | C | H22 | 178.0° | 60.0° |
| H23 | C6 | C7 | H25 | 160.7° | 64.9° |
| H24 | C6 | C7 | H25 | 79.3° | 55.0° |
| H25 | C7 | C8 | H34 | 58.8° | 55.0° |
| H25 | C7 | C8 | H35 | 60.9° | 65.0° |
| H26 | C19 | C18 | H28 | 168.3° | 59.9° |
| H26 | C19 | C18 | H29 | 49.2° | 179.9° |
| H26 | C19 | C17 | H30 | 60.4° | 179.9° |
| H26 | C19 | C17 | H31 | 179.2° | 59.9° |
| H27 | C19 | C18 | H28 | 72.5° | 180.0° |
| H27 | C19 | C18 | H29 | 168.4° | 60.1° |
| H27 | C19 | C17 | H30 | 58.8° | 60.0° |
| H27 | C19 | C17 | H31 | 60.0° | 180.0° |
| H28 | C18 | C16 | H36 | 175.8° | 59.9° |
| H28 | C18 | C16 | H37 | 56.5° | 180.0° |
| H29 | C18 | C16 | H36 | 65.1° | 180.0° |
| H29 | C18 | C16 | H37 | 175.6° | 60.0° |
| H30 | C17 | C22 | H44 | 59.4° | 60.0° |
| H30 | C17 | C22 | H45 | 179.4° | 180.0° |
| H30 | C17 | C22 | H46 | 60.6° | 60.0° |
| H31 | C17 | C22 | H44 | 59.5° | 60.0° |
| H31 | C17 | C22 | H45 | 60.6° | 60.0° |
| H31 | C17 | C22 | H46 | 179.4° | 180.0° |
| H32 | C9 | C10 | H38 | 95.4° | 65.0° |
| H32 | C9 | C10 | H39 | 24.4° | 55.0° |
| H33 | C9 | C10 | H38 | 144.3° | 175.0° |
| H33 | C9 | C10 | H39 | 95.9° | 65.0° |
| H40 | C12 | C13 | H42 | 149.5° | 60.0° |
| H40 | C12 | C13 | H43 | 30.1° | 179.9° |
| H41 | C12 | C13 | H42 | 92.1° | 180.0° |
| H41 | C12 | C13 | H43 | 148.5° | 60.0° |
| H44 | C22 | H45 | H46 | 120.0° | 120.1° |
