6IY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | O5 | sing | 1.43Å | 1.42Å | |
| O5 | P | sing | 1.61Å | 1.66Å | |
| P | O3 | doub | 1.48Å | 1.46Å | |
| P | O2 | sing | 1.61Å | 1.66Å | |
| P | O4 | sing | 1.61Å | 1.47Å | |
| O2 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.53Å | 1.56Å | |
| C9 | C8 | sing | 1.53Å | 1.56Å | |
| C9 | O6 | sing | 1.45Å | 1.41Å | |
| C8 | O1 | sing | 1.45Å | 1.43Å | |
| O6 | C13 | sing | 1.34Å | 1.42Å | |
| O7 | C13 | doub | 1.21Å | 1.19Å | |
| O1 | C7 | sing | 1.34Å | 1.42Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| O | C7 | doub | 1.21Å | 1.19Å | |
| C7 | C6 | sing | 1.51Å | 1.56Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H46 | sing | 1.09Å | 1.10Å | |
| C3 | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H48 | sing | 1.09Å | 1.10Å | |
| C4 | H49 | sing | 1.09Å | 1.10Å | |
| C5 | H50 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C6 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H53 | sing | 1.09Å | 1.10Å | |
| C8 | H54 | sing | 1.09Å | 1.10Å | |
| C8 | H55 | sing | 1.09Å | 1.10Å | |
| C9 | H56 | sing | 1.09Å | 1.10Å | |
| O4 | H57 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C12 | C11 | 109.3° | 109.4° |
| C12 | N | H1 | 109.5° | 111.0° |
| C12 | N | H2 | 109.5° | 111.0° |
| N | C12 | H11 | 109.5° | 109.4° |
| N | C12 | H12 | 109.5° | 109.5° |
| C12 | C11 | O5 | 110.8° | 109.5° |
| C12 | C11 | H9 | 109.1° | 109.4° |
| C12 | C11 | H10 | 109.1° | 109.4° |
| C11 | C12 | H11 | 109.5° | 109.4° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| C11 | O5 | P | 117.0° | 123.0° |
| O5 | C11 | H9 | 109.1° | 109.5° |
| O5 | C11 | H10 | 109.2° | 109.5° |
| O5 | P | O3 | 110.4° | 109.4° |
| O5 | P | O2 | 108.3° | 109.5° |
| O5 | P | O4 | 112.6° | 109.5° |
| O3 | P | O2 | 110.0° | 109.5° |
| O3 | P | O4 | 100.9° | 109.5° |
| O2 | P | O4 | 114.6° | 109.5° |
| P | O2 | C10 | 126.9° | 123.0° |
| P | O4 | H57 | 109.5° | 114.1° |
| O2 | C10 | C9 | 137.6° | 109.5° |
| O2 | C10 | H7 | 102.1° | 109.4° |
| O2 | C10 | H8 | 102.1° | 109.5° |
| C10 | C9 | C8 | 122.0° | 109.5° |
| C10 | C9 | O6 | 109.5° | 109.5° |
| C9 | C10 | H7 | 102.0° | 109.5° |
| C9 | C10 | H8 | 102.0° | 109.5° |
| C10 | C9 | H56 | 106.0° | 109.5° |
| C8 | C9 | O6 | 104.7° | 109.4° |
| C9 | C8 | O1 | 105.7° | 109.4° |
| C9 | C8 | H54 | 110.4° | 109.5° |
| C9 | C8 | H55 | 110.4° | 109.4° |
| C8 | C9 | H56 | 106.1° | 109.4° |
| C9 | O6 | C13 | 115.6° | 117.0° |
| O6 | C9 | H56 | 107.8° | 109.5° |
| C8 | O1 | C7 | 115.1° | 116.9° |
| O1 | C8 | H54 | 110.4° | 109.5° |
| O1 | C8 | H55 | 110.4° | 109.5° |
| O6 | C13 | O7 | 120.7° | 120.0° |
| O6 | C13 | C14 | 119.5° | 120.0° |
| O7 | C13 | C14 | 119.8° | 120.0° |
| O1 | C7 | O | 119.0° | 120.0° |
| O1 | C7 | C6 | 119.9° | 120.0° |
| C13 | C14 | C15 | 109.8° | 109.5° |
| C13 | C14 | H13 | 109.4° | 109.4° |
| C13 | C14 | H14 | 109.4° | 109.5° |
| O | C7 | C6 | 121.1° | 120.0° |
| C7 | C6 | C5 | 110.2° | 109.5° |
| C7 | C6 | H52 | 109.3° | 109.5° |
| C7 | C6 | H53 | 109.3° | 109.4° |
| C14 | C15 | C16 | 108.8° | 109.5° |
| C15 | C14 | H13 | 109.4° | 109.5° |
| C15 | C14 | H14 | 109.4° | 109.5° |
| C14 | C15 | H15 | 109.7° | 109.4° |
| C14 | C15 | H16 | 109.6° | 109.5° |
| C15 | C16 | C17 | 109.4° | 109.4° |
| C16 | C15 | H15 | 109.6° | 109.5° |
| C16 | C15 | H16 | 109.6° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.4° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C6 | C5 | C4 | 110.4° | 109.5° |
| C6 | C5 | H50 | 109.2° | 109.4° |
| C6 | C5 | H51 | 109.2° | 109.5° |
| C5 | C6 | H52 | 109.3° | 109.4° |
| C5 | C6 | H53 | 109.3° | 109.5° |
| C5 | C4 | C3 | 113.7° | 109.5° |
| C5 | C4 | H48 | 108.4° | 109.4° |
| C5 | C4 | H49 | 108.4° | 109.5° |
| C4 | C5 | H50 | 109.3° | 109.5° |
| C4 | C5 | H51 | 109.2° | 109.5° |
| C16 | C17 | C18 | 109.7° | 109.4° |
| C17 | C16 | H17 | 109.5° | 109.5° |
| C17 | C16 | H18 | 109.5° | 109.5° |
| C16 | C17 | H19 | 109.4° | 109.4° |
| C16 | C17 | H20 | 109.4° | 109.5° |
| C17 | C18 | C19 | 110.0° | 109.4° |
| C18 | C17 | H19 | 109.4° | 109.5° |
| C18 | C17 | H20 | 109.4° | 109.5° |
| C17 | C18 | H21 | 109.4° | 109.5° |
| C17 | C18 | H22 | 109.3° | 109.5° |
| C4 | C3 | C2 | 109.0° | 109.5° |
| C4 | C3 | H46 | 109.6° | 109.5° |
| C4 | C3 | H47 | 109.6° | 109.4° |
| C3 | C4 | H48 | 108.4° | 109.5° |
| C3 | C4 | H49 | 108.4° | 109.5° |
| C18 | C19 | C20 | 111.7° | 109.5° |
| C19 | C18 | H21 | 109.3° | 109.5° |
| C19 | C18 | H22 | 109.3° | 109.5° |
| C18 | C19 | H23 | 108.9° | 109.5° |
| C18 | C19 | H24 | 108.9° | 109.5° |
| C19 | C20 | C21 | 109.4° | 109.5° |
| C20 | C19 | H23 | 108.9° | 109.5° |
| C20 | C19 | H24 | 108.9° | 109.4° |
| C19 | C20 | H27 | 109.5° | 109.5° |
| C19 | C20 | H28 | 109.5° | 109.5° |
| C20 | C21 | C22 | 109.0° | 109.5° |
| C21 | C20 | H27 | 109.5° | 109.5° |
| C21 | C20 | H28 | 109.5° | 109.4° |
| C20 | C21 | H29 | 109.6° | 109.5° |
| C20 | C21 | H30 | 109.6° | 109.5° |
| C23 | C22 | C21 | 112.3° | 109.5° |
| C22 | C23 | C24 | 110.9° | 109.5° |
| C23 | C22 | H31 | 108.7° | 109.5° |
| C23 | C22 | H32 | 108.8° | 109.4° |
| C22 | C23 | H33 | 109.1° | 109.5° |
| C22 | C23 | H34 | 109.1° | 109.5° |
| C22 | C21 | H29 | 109.6° | 109.5° |
| C22 | C21 | H30 | 109.6° | 109.4° |
| C21 | C22 | H31 | 108.8° | 109.5° |
| C21 | C22 | H32 | 108.8° | 109.5° |
| C23 | C24 | C25 | 109.5° | 109.5° |
| C24 | C23 | H33 | 109.1° | 109.5° |
| C24 | C23 | H34 | 109.1° | 109.4° |
| C23 | C24 | H35 | 109.5° | 109.5° |
| C23 | C24 | H36 | 109.5° | 109.5° |
| C3 | C2 | C1 | 109.1° | 109.5° |
| C3 | C2 | H25 | 109.5° | 109.5° |
| C3 | C2 | H26 | 109.6° | 109.4° |
| C2 | C3 | H46 | 109.6° | 109.5° |
| C2 | C3 | H47 | 109.6° | 109.5° |
| C24 | C25 | C26 | 110.5° | 109.5° |
| C25 | C24 | H35 | 109.5° | 109.4° |
| C25 | C24 | H36 | 109.4° | 109.4° |
| C24 | C25 | H37 | 109.2° | 109.4° |
| C24 | C25 | H38 | 109.2° | 109.4° |
| C2 | C1 | H4 | 109.5° | 109.4° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C1 | C2 | H25 | 109.6° | 109.4° |
| C1 | C2 | H26 | 109.6° | 109.5° |
| C25 | C26 | C27 | 109.3° | 109.5° |
| C26 | C25 | H37 | 109.2° | 109.5° |
| C26 | C25 | H38 | 109.2° | 109.5° |
| C25 | C26 | H39 | 109.5° | 109.4° |
| C25 | C26 | H40 | 109.5° | 109.5° |
| C26 | C27 | C28 | 109.5° | 109.5° |
| C27 | C26 | H39 | 109.5° | 109.5° |
| C27 | C26 | H40 | 109.5° | 109.5° |
| C26 | C27 | H41 | 109.5° | 109.5° |
| C26 | C27 | H42 | 109.4° | 109.4° |
| C28 | C27 | H41 | 109.5° | 109.5° |
| C28 | C27 | H42 | 109.5° | 109.5° |
| C27 | C28 | H43 | 109.5° | 109.5° |
| C27 | C28 | H44 | 109.5° | 109.5° |
| C27 | C28 | H45 | 109.5° | 109.4° |
| H1 | N | H2 | 109.4° | 111.1° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.4° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.4° |
| H25 | C2 | H26 | 109.5° | 109.4° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.4° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.4° | 109.5° |
| H35 | C24 | H36 | 109.5° | 109.5° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| H41 | C27 | H42 | 109.5° | 109.5° |
| H43 | C28 | H44 | 109.5° | 109.5° |
| H43 | C28 | H45 | 109.5° | 109.5° |
| H44 | C28 | H45 | 109.5° | 109.5° |
| H46 | C3 | H47 | 109.5° | 109.4° |
| H48 | C4 | H49 | 109.5° | 109.5° |
| H50 | C5 | H51 | 109.5° | 109.5° |
| H52 | C6 | H53 | 109.4° | 109.4° |
| H54 | C8 | H55 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C12 | C11 | H11 | 120.0° | 119.9° |
| N | C12 | C11 | H12 | 120.0° | 120.0° |
| N | C12 | C11 | O5 | 179.8° | 65.0° |
| C12 | N | H1 | H2 | 120.0° | 124.1° |
| N | C12 | C11 | H9 | 59.6° | 175.0° |
| N | C12 | C11 | H10 | 59.9° | 55.1° |
| N | C12 | H11 | H12 | 120.1° | 120.0° |
| C12 | C11 | O5 | H9 | 120.2° | 120.0° |
| C12 | C11 | O5 | H10 | 120.2° | 120.0° |
| C12 | C11 | O5 | P | 172.4° | 180.0° |
| C11 | C12 | N | H1 | 180.0° | 180.0° |
| C11 | C12 | N | H2 | 60.0° | 55.9° |
| C12 | C11 | H9 | H10 | 119.4° | 119.9° |
| C11 | C12 | H11 | H12 | 120.0° | 120.1° |
| C11 | O5 | P | O3 | 68.3° | 55.0° |
| C11 | O5 | P | O2 | 52.1° | 175.0° |
| C11 | O5 | P | O4 | 179.9° | 65.0° |
| O5 | C11 | H9 | H10 | 119.4° | 120.1° |
| O5 | C11 | C12 | H11 | 60.2° | 54.9° |
| O5 | C11 | C12 | H12 | 59.8° | 175.0° |
| O5 | P | O3 | O2 | 119.4° | 120.0° |
| O5 | P | O3 | O4 | 119.2° | 120.0° |
| O5 | P | O2 | O4 | 126.6° | 120.0° |
| O5 | P | O2 | C10 | 109.7° | 175.0° |
| P | O5 | C11 | H9 | 52.2° | 60.0° |
| P | O5 | C11 | H10 | 67.4° | 60.0° |
| O5 | P | O4 | H57 | 117.6° | 60.0° |
| O3 | P | O2 | O4 | 112.8° | 120.0° |
| O3 | P | O2 | C10 | 129.7° | 55.1° |
| O3 | P | O4 | H57 | 0.0° | 179.9° |
| P | O2 | C10 | C9 | 55.2° | 180.0° |
| P | O2 | C10 | H7 | 178.6° | 60.1° |
| P | O2 | C10 | H8 | 68.2° | 60.0° |
| O2 | P | O4 | H57 | 118.1° | 60.0° |
| O4 | P | O2 | C10 | 16.9° | 65.0° |
| O2 | C10 | C9 | H7 | 123.4° | 120.0° |
| O2 | C10 | C9 | H8 | 123.4° | 120.0° |
| O2 | C10 | C9 | C8 | 59.5° | 55.0° |
| O2 | C10 | C9 | O6 | 63.1° | 65.0° |
| O2 | C10 | H7 | H8 | 107.6° | 120.0° |
| O2 | C10 | C9 | H56 | 179.2° | 175.0° |
| C10 | C9 | C8 | O6 | 124.8° | 120.0° |
| C10 | C9 | C8 | H56 | 121.3° | 120.0° |
| C10 | C9 | O6 | H56 | 114.9° | 120.1° |
| C10 | C9 | C8 | O1 | 129.1° | 55.0° |
| C10 | C9 | O6 | C13 | 120.9° | 90.0° |
| C9 | C10 | H7 | H8 | 107.6° | 120.0° |
| C10 | C9 | C8 | H54 | 9.7° | 175.0° |
| C10 | C9 | C8 | H55 | 111.4° | 65.0° |
| C8 | C9 | O6 | H56 | 112.7° | 119.9° |
| C9 | C8 | O1 | H54 | 119.4° | 120.0° |
| C9 | C8 | O1 | H55 | 119.4° | 119.9° |
| C8 | C9 | O6 | C13 | 106.7° | 150.0° |
| C9 | C8 | O1 | C7 | 166.9° | 180.0° |
| C8 | C9 | C10 | H7 | 177.1° | 65.0° |
| C8 | C9 | C10 | H8 | 63.9° | 175.0° |
| C9 | C8 | H54 | H55 | 121.7° | 120.0° |
| O6 | C9 | C8 | O1 | 106.0° | 65.0° |
| C9 | O6 | C13 | O7 | 73.8° | 0.0° |
| C9 | O6 | C13 | C14 | 107.3° | 179.9° |
| O6 | C9 | C10 | H7 | 60.3° | 175.0° |
| O6 | C9 | C10 | H8 | 173.5° | 55.0° |
| O6 | C9 | C8 | H54 | 134.6° | 55.0° |
| O6 | C9 | C8 | H55 | 13.4° | 175.0° |
| C8 | O1 | C7 | O | 51.0° | 0.0° |
| C8 | O1 | C7 | C6 | 130.0° | 180.0° |
| O1 | C8 | H54 | H55 | 121.7° | 120.1° |
| O1 | C8 | C9 | H56 | 7.9° | 175.0° |
| O6 | C13 | O7 | C14 | 178.9° | 180.0° |
| O6 | C13 | C14 | C15 | 94.6° | 179.9° |
| O6 | C13 | C14 | H13 | 145.3° | 60.0° |
| O6 | C13 | C14 | H14 | 25.4° | 60.0° |
| C13 | O6 | C9 | H56 | 5.9° | 30.1° |
| O7 | C13 | C14 | C15 | 84.3° | 0.1° |
| O7 | C13 | C14 | H13 | 35.8° | 120.0° |
| O7 | C13 | C14 | H14 | 155.7° | 120.0° |
| O1 | C7 | O | C6 | 178.9° | 179.9° |
| O1 | C7 | C6 | C5 | 141.8° | 180.0° |
| O1 | C7 | C6 | H52 | 21.6° | 60.0° |
| O1 | C7 | C6 | H53 | 98.1° | 60.0° |
| C7 | O1 | C8 | H54 | 73.7° | 60.0° |
| C7 | O1 | C8 | H55 | 47.5° | 60.0° |
| C13 | C14 | C15 | H13 | 120.1° | 119.9° |
| C13 | C14 | C15 | H14 | 120.1° | 120.0° |
| C13 | C14 | C15 | C16 | 142.9° | 180.0° |
| C13 | C14 | H13 | H14 | 119.9° | 120.0° |
| C13 | C14 | C15 | H15 | 23.0° | 60.0° |
| C13 | C14 | C15 | H16 | 97.2° | 59.9° |
| O | C7 | C6 | C5 | 39.3° | 0.0° |
| O | C7 | C6 | H52 | 159.4° | 120.0° |
| O | C7 | C6 | H53 | 80.8° | 120.0° |
| C7 | C6 | C5 | H52 | 120.1° | 120.0° |
| C7 | C6 | C5 | H53 | 120.1° | 120.0° |
| C7 | C6 | C5 | C4 | 161.3° | 180.0° |
| C7 | C6 | C5 | H50 | 41.2° | 60.0° |
| C7 | C6 | C5 | H51 | 78.5° | 60.0° |
| C7 | C6 | H52 | H53 | 119.7° | 120.0° |
| C14 | C15 | C16 | H15 | 119.9° | 119.9° |
| C14 | C15 | C16 | H16 | 119.9° | 120.0° |
| C14 | C15 | C16 | C17 | 160.9° | 180.0° |
| C15 | C14 | H13 | H14 | 119.8° | 120.1° |
| C14 | C15 | H15 | H16 | 120.3° | 120.0° |
| C14 | C15 | C16 | H17 | 41.0° | 60.1° |
| C14 | C15 | C16 | H18 | 79.1° | 59.9° |
| C15 | C16 | C17 | H17 | 120.0° | 119.9° |
| C15 | C16 | C17 | H18 | 120.0° | 120.0° |
| C15 | C16 | C17 | C18 | 146.9° | 180.0° |
| C16 | C15 | C14 | H13 | 97.0° | 60.1° |
| C16 | C15 | C14 | H14 | 22.8° | 60.0° |
| C16 | C15 | H15 | H16 | 120.3° | 120.1° |
| C15 | C16 | H17 | H18 | 120.1° | 120.0° |
| C15 | C16 | C17 | H19 | 26.9° | 60.1° |
| C15 | C16 | C17 | H20 | 93.0° | 60.0° |
| C6 | C5 | C4 | H50 | 120.1° | 120.0° |
| C6 | C5 | C4 | H51 | 120.1° | 120.0° |
| C6 | C5 | C4 | C3 | 133.7° | 180.0° |
| C6 | C5 | C4 | H48 | 13.1° | 60.0° |
| C6 | C5 | C4 | H49 | 105.7° | 60.0° |
| C6 | C5 | H50 | H51 | 119.6° | 120.0° |
| C5 | C6 | H52 | H53 | 119.7° | 120.0° |
| C5 | C4 | C3 | H48 | 120.6° | 120.0° |
| C5 | C4 | C3 | H49 | 120.6° | 120.0° |
| C5 | C4 | C3 | C2 | 126.3° | 180.0° |
| C5 | C4 | C3 | H46 | 6.4° | 59.9° |
| C5 | C4 | C3 | H47 | 113.8° | 60.0° |
| C5 | C4 | H48 | H49 | 118.1° | 119.9° |
| C4 | C5 | H50 | H51 | 119.6° | 120.0° |
| C4 | C5 | C6 | H52 | 78.5° | 60.0° |
| C4 | C5 | C6 | H53 | 41.2° | 60.0° |
| C16 | C17 | C18 | H19 | 120.0° | 119.9° |
| C16 | C17 | C18 | H20 | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 65.8° | 180.0° |
| C17 | C16 | C15 | H15 | 79.1° | 60.1° |
| C17 | C16 | C15 | H16 | 41.0° | 60.0° |
| C17 | C16 | H17 | H18 | 120.0° | 120.1° |
| C16 | C17 | H19 | H20 | 119.9° | 120.1° |
| C16 | C17 | C18 | H21 | 54.3° | 60.1° |
| C16 | C17 | C18 | H22 | 174.2° | 60.0° |
| C17 | C18 | C19 | H21 | 120.1° | 120.0° |
| C17 | C18 | C19 | H22 | 120.1° | 120.0° |
| C17 | C18 | C19 | C20 | 100.3° | 180.0° |
| C18 | C17 | C16 | H17 | 93.1° | 60.0° |
| C18 | C17 | C16 | H18 | 26.9° | 60.0° |
| C18 | C17 | H19 | H20 | 119.9° | 120.0° |
| C17 | C18 | H21 | H22 | 119.8° | 120.0° |
| C17 | C18 | C19 | H23 | 139.3° | 60.0° |
| C17 | C18 | C19 | H24 | 20.0° | 60.0° |
| C4 | C3 | C2 | H46 | 119.9° | 120.1° |
| C4 | C3 | C2 | H47 | 119.9° | 119.9° |
| C4 | C3 | C2 | C1 | 176.7° | 180.0° |
| C4 | C3 | C2 | H25 | 56.8° | 60.0° |
| C4 | C3 | C2 | H26 | 63.3° | 60.0° |
| C4 | C3 | H46 | H47 | 120.2° | 119.9° |
| C3 | C4 | H48 | H49 | 118.1° | 120.0° |
| C3 | C4 | C5 | H50 | 106.1° | 60.0° |
| C3 | C4 | C5 | H51 | 13.6° | 60.0° |
| C18 | C19 | C20 | H23 | 120.3° | 120.1° |
| C18 | C19 | C20 | H24 | 120.3° | 120.0° |
| C18 | C19 | C20 | C21 | 160.6° | 180.0° |
| C19 | C18 | C17 | H19 | 174.2° | 60.0° |
| C19 | C18 | C17 | H20 | 54.3° | 60.0° |
| C19 | C18 | H21 | H22 | 119.7° | 120.0° |
| C18 | C19 | H23 | H24 | 119.0° | 120.0° |
| C18 | C19 | C20 | H27 | 79.4° | 60.0° |
| C18 | C19 | C20 | H28 | 40.6° | 60.0° |
| C19 | C20 | C21 | H27 | 120.0° | 120.0° |
| C19 | C20 | C21 | H28 | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 179.4° | 180.0° |
| C20 | C19 | C18 | H21 | 19.8° | 60.0° |
| C20 | C19 | C18 | H22 | 139.6° | 60.0° |
| C20 | C19 | H23 | H24 | 119.0° | 120.0° |
| C19 | C20 | H27 | H28 | 120.0° | 120.0° |
| C19 | C20 | C21 | H29 | 59.4° | 59.9° |
| C19 | C20 | C21 | H30 | 60.7° | 60.0° |
| C20 | C21 | C22 | C23 | 100.0° | 180.0° |
| C20 | C21 | C22 | H29 | 120.0° | 120.1° |
| C20 | C21 | C22 | H30 | 119.9° | 120.0° |
| C21 | C20 | C19 | H23 | 40.2° | 59.9° |
| C21 | C20 | C19 | H24 | 79.1° | 60.0° |
| C21 | C20 | H27 | H28 | 120.1° | 120.0° |
| C20 | C21 | H29 | H30 | 120.2° | 120.0° |
| C20 | C21 | C22 | H31 | 20.5° | 60.0° |
| C20 | C21 | C22 | H32 | 139.6° | 60.0° |
| C23 | C22 | C21 | H31 | 120.4° | 120.0° |
| C23 | C22 | C21 | H32 | 120.4° | 120.0° |
| C22 | C23 | C24 | H33 | 120.2° | 120.0° |
| C22 | C23 | C24 | H34 | 120.2° | 120.0° |
| C22 | C23 | C24 | C25 | 75.1° | 180.0° |
| C23 | C22 | C21 | H29 | 20.0° | 59.9° |
| C23 | C22 | C21 | H30 | 140.1° | 60.0° |
| C23 | C22 | H31 | H32 | 118.7° | 120.0° |
| C22 | C23 | H33 | H34 | 119.4° | 120.0° |
| C22 | C23 | C24 | H35 | 44.9° | 60.0° |
| C22 | C23 | C24 | H36 | 164.9° | 60.0° |
| C21 | C22 | C23 | C24 | 104.2° | 180.0° |
| C22 | C21 | C20 | H27 | 60.6° | 60.0° |
| C22 | C21 | C20 | H28 | 59.4° | 60.0° |
| C22 | C21 | H29 | H30 | 120.2° | 120.0° |
| C21 | C22 | H31 | H32 | 118.7° | 120.0° |
| C21 | C22 | C23 | H33 | 135.5° | 60.0° |
| C21 | C22 | C23 | H34 | 16.0° | 60.0° |
| C23 | C24 | C25 | H35 | 120.0° | 120.0° |
| C23 | C24 | C25 | H36 | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 176.2° | 180.0° |
| C24 | C23 | C22 | H31 | 135.3° | 60.0° |
| C24 | C23 | C22 | H32 | 16.2° | 60.0° |
| C24 | C23 | H33 | H34 | 119.3° | 120.0° |
| C23 | C24 | H35 | H36 | 120.0° | 120.0° |
| C23 | C24 | C25 | H37 | 63.7° | 60.0° |
| C23 | C24 | C25 | H38 | 56.0° | 60.0° |
| C3 | C2 | C1 | H25 | 119.9° | 120.0° |
| C3 | C2 | C1 | H26 | 119.9° | 120.0° |
| C3 | C2 | C1 | H4 | 180.0° | 60.0° |
| C3 | C2 | C1 | H5 | 60.0° | 180.0° |
| C3 | C2 | C1 | H6 | 60.0° | 60.0° |
| C3 | C2 | H25 | H26 | 120.1° | 120.0° |
| C2 | C3 | H46 | H47 | 120.2° | 120.0° |
| C2 | C3 | C4 | H48 | 113.0° | 60.0° |
| C2 | C3 | C4 | H49 | 5.7° | 60.0° |
| C24 | C25 | C26 | H37 | 120.2° | 120.0° |
| C24 | C25 | C26 | H38 | 120.2° | 120.0° |
| C24 | C25 | C26 | C27 | 154.1° | 180.0° |
| C25 | C24 | C23 | H33 | 164.7° | 60.0° |
| C25 | C24 | C23 | H34 | 45.1° | 60.0° |
| C25 | C24 | H35 | H36 | 119.9° | 119.9° |
| C24 | C25 | H37 | H38 | 119.5° | 119.9° |
| C24 | C25 | C26 | H39 | 34.1° | 60.0° |
| C24 | C25 | C26 | H40 | 85.9° | 60.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C1 | C2 | H25 | H26 | 120.2° | 120.0° |
| C1 | C2 | C3 | H46 | 63.3° | 60.0° |
| C1 | C2 | C3 | H47 | 56.8° | 60.0° |
| C25 | C26 | C27 | H39 | 120.0° | 120.0° |
| C25 | C26 | C27 | H40 | 120.0° | 120.0° |
| C25 | C26 | C27 | C28 | 174.8° | 180.0° |
| C26 | C25 | C24 | H35 | 56.2° | 60.0° |
| C26 | C25 | C24 | H36 | 63.8° | 60.0° |
| C26 | C25 | H37 | H38 | 119.5° | 120.0° |
| C25 | C26 | H39 | H40 | 120.0° | 120.0° |
| C25 | C26 | C27 | H41 | 65.2° | 60.0° |
| C25 | C26 | C27 | H42 | 54.8° | 60.0° |
| C26 | C27 | C28 | H41 | 120.0° | 120.0° |
| C26 | C27 | C28 | H42 | 120.0° | 120.0° |
| C27 | C26 | C25 | H37 | 85.8° | 60.0° |
| C27 | C26 | C25 | H38 | 33.9° | 60.0° |
| C27 | C26 | H39 | H40 | 120.1° | 120.0° |
| C26 | C27 | H41 | H42 | 119.9° | 120.0° |
| C26 | C27 | C28 | H43 | 180.0° | 180.0° |
| C26 | C27 | C28 | H44 | 60.0° | 60.0° |
| C26 | C27 | C28 | H45 | 60.0° | 60.0° |
| C28 | C27 | C26 | H39 | 54.8° | 60.0° |
| C28 | C27 | C26 | H40 | 65.2° | 60.0° |
| C28 | C27 | H41 | H42 | 120.0° | 120.0° |
| C27 | C28 | H43 | H44 | 120.0° | 120.0° |
| C27 | C28 | H43 | H45 | 120.0° | 120.0° |
| C27 | C28 | H44 | H45 | 120.0° | 120.0° |
| H1 | N | C12 | H11 | 60.0° | 60.1° |
| H1 | N | C12 | H12 | 60.0° | 59.9° |
| H2 | N | C12 | H11 | 59.9° | 64.0° |
| H2 | N | C12 | H12 | 180.0° | 176.0° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H4 | C1 | C2 | H25 | 60.1° | 180.0° |
| H4 | C1 | C2 | H26 | 60.1° | 60.0° |
| H5 | C1 | C2 | H25 | 179.9° | 60.0° |
| H5 | C1 | C2 | H26 | 60.0° | 60.0° |
| H6 | C1 | C2 | H25 | 59.9° | 60.0° |
| H6 | C1 | C2 | H26 | 179.9° | 180.0° |
| H7 | C10 | C9 | H56 | 55.8° | 55.0° |
| H8 | C10 | C9 | H56 | 57.4° | 65.0° |
| H9 | C11 | C12 | H11 | 179.6° | 65.1° |
| H9 | C11 | C12 | H12 | 60.4° | 55.0° |
| H10 | C11 | C12 | H11 | 60.1° | 175.0° |
| H10 | C11 | C12 | H12 | 179.9° | 64.9° |
| H13 | C14 | C15 | H15 | 143.0° | 180.0° |
| H13 | C14 | C15 | H16 | 22.9° | 60.0° |
| H14 | C14 | C15 | H15 | 97.1° | 60.0° |
| H14 | C14 | C15 | H16 | 142.7° | 180.0° |
| H15 | C15 | C16 | H17 | 160.9° | 180.0° |
| H15 | C15 | C16 | H18 | 40.9° | 60.0° |
| H16 | C15 | C16 | H17 | 78.9° | 60.0° |
| H16 | C15 | C16 | H18 | 161.0° | 180.0° |
| H17 | C16 | C17 | H19 | 146.9° | 180.0° |
| H17 | C16 | C17 | H20 | 27.0° | 59.9° |
| H18 | C16 | C17 | H19 | 93.1° | 60.0° |
| H18 | C16 | C17 | H20 | 147.0° | NaN° |
| H19 | C17 | C18 | H21 | 65.7° | 180.0° |
| H19 | C17 | C18 | H22 | 54.1° | 60.0° |
| H20 | C17 | C18 | H21 | 174.4° | 60.0° |
| H20 | C17 | C18 | H22 | 65.8° | 180.0° |
| H21 | C18 | C19 | H23 | 100.5° | 180.0° |
| H21 | C18 | C19 | H24 | 140.1° | 60.0° |
| H22 | C18 | C19 | H23 | 19.2° | 60.0° |
| H22 | C18 | C19 | H24 | 100.1° | 180.0° |
| H23 | C19 | C20 | H27 | 160.3° | 179.9° |
| H23 | C19 | C20 | H28 | 79.8° | 60.0° |
| H24 | C19 | C20 | H27 | 40.9° | 60.0° |
| H24 | C19 | C20 | H28 | 160.9° | 180.0° |
| H25 | C2 | C3 | H46 | 176.7° | 180.0° |
| H25 | C2 | C3 | H47 | 63.1° | 60.0° |
| H26 | C2 | C3 | H46 | 56.6° | 60.1° |
| H26 | C2 | C3 | H47 | 176.8° | 180.0° |
| H27 | C20 | C21 | H29 | 179.4° | 180.0° |
| H27 | C20 | C21 | H30 | 59.3° | 60.0° |
| H28 | C20 | C21 | H29 | 60.5° | 60.0° |
| H28 | C20 | C21 | H30 | 179.3° | 180.0° |
| H29 | C21 | C22 | H31 | 140.4° | 179.9° |
| H29 | C21 | C22 | H32 | 100.4° | 60.0° |
| H30 | C21 | C22 | H31 | 99.5° | 60.0° |
| H30 | C21 | C22 | H32 | 19.7° | 180.0° |
| H31 | C22 | C23 | H33 | 15.1° | 180.0° |
| H31 | C22 | C23 | H34 | 104.4° | 60.0° |
| H32 | C22 | C23 | H33 | 104.0° | 60.0° |
| H32 | C22 | C23 | H34 | 136.4° | 180.0° |
| H33 | C23 | C24 | H35 | 75.3° | 180.0° |
| H33 | C23 | C24 | H36 | 44.7° | 60.0° |
| H34 | C23 | C24 | H35 | 165.2° | 60.0° |
| H34 | C23 | C24 | H36 | 74.9° | 180.0° |
| H35 | C24 | C25 | H37 | 176.3° | 180.0° |
| H35 | C24 | C25 | H38 | 64.0° | 60.0° |
| H36 | C24 | C25 | H37 | 56.4° | 60.0° |
| H36 | C24 | C25 | H38 | 176.0° | 180.0° |
| H37 | C25 | C26 | H39 | 154.2° | 180.0° |
| H37 | C25 | C26 | H40 | 34.2° | 60.0° |
| H38 | C25 | C26 | H39 | 86.1° | 60.0° |
| H38 | C25 | C26 | H40 | 153.9° | 180.0° |
| H39 | C26 | C27 | H41 | 174.8° | 180.0° |
| H39 | C26 | C27 | H42 | 65.2° | 60.0° |
| H40 | C26 | C27 | H41 | 54.8° | 60.0° |
| H40 | C26 | C27 | H42 | 174.8° | 180.0° |
| H41 | C27 | C28 | H43 | 60.0° | 60.0° |
| H41 | C27 | C28 | H44 | 180.0° | 180.0° |
| H41 | C27 | C28 | H45 | 60.0° | 60.0° |
| H42 | C27 | C28 | H43 | 60.0° | 60.0° |
| H42 | C27 | C28 | H44 | 60.0° | 60.0° |
| H42 | C27 | C28 | H45 | 180.0° | 180.0° |
| H43 | C28 | H44 | H45 | 120.0° | 120.0° |
| H46 | C3 | C4 | H48 | 127.1° | 179.9° |
| H46 | C3 | C4 | H49 | 114.2° | 60.1° |
| H47 | C3 | C4 | H48 | 6.9° | 60.0° |
| H47 | C3 | C4 | H49 | 125.6° | 180.0° |
| H48 | C4 | C5 | H50 | 133.2° | 179.9° |
| H48 | C4 | C5 | H51 | 107.0° | 60.1° |
| H49 | C4 | C5 | H50 | 14.5° | 60.0° |
| H49 | C4 | C5 | H51 | 134.2° | 180.0° |
| H50 | C5 | C6 | H52 | 161.3° | 180.0° |
| H50 | C5 | C6 | H53 | 78.9° | 60.0° |
| H51 | C5 | C6 | H52 | 41.6° | 60.0° |
| H51 | C5 | C6 | H53 | 161.4° | 180.0° |
| H54 | C8 | C9 | H56 | 111.5° | 65.0° |
| H55 | C8 | C9 | H56 | 127.3° | 55.0° |
