82T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| N31 | C30 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O24 | C23 | sing | 1.43Å | 1.40Å | |
| O24 | P25 | sing | 1.61Å | 1.65Å | |
| O28 | P25 | sing | 1.61Å | 1.65Å | |
| O28 | C29 | sing | 1.43Å | 1.40Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| O26 | P25 | doub | 1.48Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| P25 | O27 | sing | 1.61Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C22 | O32 | sing | 1.43Å | 1.40Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | O20 | sing | 1.45Å | 1.40Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| O20 | C18 | sing | 1.34Å | 1.40Å | |
| C18 | O19 | doub | 1.21Å | 1.18Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | 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 | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C11 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| N31 | H45 | sing | 1.01Å | 1.00Å | |
| N31 | H46 | sing | 1.01Å | 1.00Å | |
| O27 | H48 | sing | 0.97Å | 0.95Å | |
| O32 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.4° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C1 | C2 | H15 | 108.7° | 109.4° |
| C1 | C2 | H16 | 108.7° | 109.5° |
| C2 | C3 | C4 | 112.2° | 109.5° |
| C3 | C2 | H15 | 108.8° | 109.5° |
| C3 | C2 | H16 | 108.8° | 109.5° |
| C2 | C3 | H17 | 108.8° | 109.5° |
| C2 | C3 | H18 | 108.8° | 109.5° |
| C3 | C4 | C5 | 112.3° | 109.5° |
| C4 | C3 | H17 | 108.8° | 109.4° |
| C4 | C3 | H18 | 108.8° | 109.5° |
| C3 | C4 | H19 | 108.7° | 109.5° |
| C3 | C4 | H20 | 108.7° | 109.5° |
| C4 | C5 | C6 | 112.1° | 109.5° |
| C5 | C4 | H19 | 108.7° | 109.5° |
| C5 | C4 | H20 | 108.7° | 109.4° |
| C4 | C5 | H21 | 108.8° | 109.5° |
| C4 | C5 | H22 | 108.8° | 109.4° |
| C5 | C6 | C7 | 112.0° | 109.5° |
| C6 | C5 | H21 | 108.8° | 109.5° |
| C6 | C5 | H22 | 108.8° | 109.5° |
| C5 | C6 | H23 | 108.8° | 109.5° |
| C5 | C6 | H24 | 108.9° | 109.5° |
| N31 | C30 | C29 | 110.0° | 109.5° |
| N31 | C30 | H43 | 109.4° | 109.4° |
| N31 | C30 | H44 | 109.3° | 109.5° |
| C30 | N31 | H45 | 109.5° | 111.0° |
| C30 | N31 | H46 | 109.5° | 111.0° |
| C6 | C7 | C8 | 112.4° | 109.5° |
| C7 | C6 | H23 | 108.8° | 109.5° |
| C7 | C6 | H24 | 108.8° | 109.5° |
| C6 | C7 | H25 | 108.7° | 109.5° |
| C6 | C7 | H26 | 108.7° | 109.4° |
| C11 | C12 | C13 | 112.6° | 109.4° |
| C12 | C11 | C10 | 112.4° | 109.4° |
| C12 | C11 | H31 | 108.7° | 109.5° |
| C12 | C11 | H32 | 108.7° | 109.5° |
| C11 | C12 | H33 | 108.7° | 109.5° |
| C11 | C12 | H34 | 108.7° | 109.5° |
| C12 | C13 | C14 | 112.3° | 109.5° |
| C12 | C13 | H3 | 108.7° | 109.5° |
| C12 | C13 | H4 | 108.8° | 109.4° |
| C13 | C12 | H33 | 108.7° | 109.4° |
| C13 | C12 | H34 | 108.7° | 109.5° |
| C30 | C29 | O28 | 108.1° | 109.5° |
| C30 | C29 | H41 | 109.8° | 109.4° |
| C30 | C29 | H42 | 109.8° | 109.4° |
| C29 | C30 | H43 | 109.3° | 109.5° |
| C29 | C30 | H44 | 109.4° | 109.5° |
| C11 | C10 | C9 | 112.1° | 109.4° |
| C11 | C10 | H1 | 108.8° | 109.5° |
| C11 | C10 | H2 | 108.8° | 109.5° |
| C10 | C11 | H31 | 108.7° | 109.4° |
| C10 | C11 | H32 | 108.8° | 109.5° |
| C23 | O24 | P25 | 118.5° | 123.0° |
| O24 | C23 | C22 | 109.0° | 109.4° |
| O24 | C23 | H39 | 109.6° | 109.5° |
| O24 | C23 | H40 | 109.6° | 109.5° |
| O24 | P25 | O28 | 110.7° | 109.5° |
| O24 | P25 | O26 | 109.4° | 109.5° |
| O24 | P25 | O27 | 108.9° | 109.5° |
| P25 | O28 | C29 | 118.4° | 123.0° |
| O28 | P25 | O26 | 109.4° | 109.5° |
| O28 | P25 | O27 | 108.3° | 109.5° |
| O28 | C29 | H41 | 109.8° | 109.5° |
| O28 | C29 | H42 | 109.8° | 109.5° |
| C10 | C9 | C8 | 112.4° | 109.4° |
| C9 | C10 | H1 | 108.8° | 109.4° |
| C9 | C10 | H2 | 108.8° | 109.4° |
| C10 | C9 | H29 | 108.7° | 109.5° |
| C10 | C9 | H30 | 108.7° | 109.4° |
| C7 | C8 | C9 | 112.1° | 109.5° |
| C8 | C7 | H25 | 108.7° | 109.5° |
| C8 | C7 | H26 | 108.7° | 109.5° |
| C7 | C8 | H27 | 108.8° | 109.5° |
| C7 | C8 | H28 | 108.8° | 109.4° |
| C9 | C8 | H27 | 108.8° | 109.5° |
| C9 | C8 | H28 | 108.8° | 109.5° |
| C8 | C9 | H29 | 108.7° | 109.5° |
| C8 | C9 | H30 | 108.7° | 109.5° |
| C13 | C14 | C15 | 112.5° | 109.5° |
| C14 | C13 | H3 | 108.8° | 109.5° |
| C14 | C13 | H4 | 108.8° | 109.5° |
| C13 | C14 | H35 | 108.7° | 109.5° |
| C13 | C14 | H36 | 108.7° | 109.5° |
| O26 | P25 | O27 | 110.1° | 109.4° |
| C16 | C15 | C14 | 112.3° | 109.5° |
| C15 | C16 | C17 | 112.8° | 109.5° |
| C16 | C15 | H5 | 108.8° | 109.5° |
| C16 | C15 | H6 | 108.8° | 109.5° |
| C15 | C16 | H37 | 108.6° | 109.4° |
| C15 | C16 | H38 | 108.6° | 109.4° |
| C14 | C15 | H5 | 108.7° | 109.5° |
| C14 | C15 | H6 | 108.7° | 109.5° |
| C15 | C14 | H35 | 108.7° | 109.5° |
| C15 | C14 | H36 | 108.7° | 109.4° |
| C23 | C22 | O32 | 108.4° | 109.5° |
| C23 | C22 | C21 | 112.2° | 109.5° |
| C23 | C22 | H11 | 108.8° | 109.5° |
| C22 | C23 | H39 | 109.6° | 109.4° |
| C22 | C23 | H40 | 109.6° | 109.4° |
| P25 | O27 | H48 | 109.5° | 114.0° |
| C16 | C17 | C18 | 112.4° | 109.5° |
| C16 | C17 | H7 | 108.7° | 109.5° |
| C16 | C17 | H8 | 108.7° | 109.5° |
| C17 | C16 | H37 | 108.6° | 109.5° |
| C17 | C16 | H38 | 108.7° | 109.5° |
| O32 | C22 | C21 | 108.1° | 109.5° |
| O32 | C22 | H11 | 110.6° | 109.5° |
| C22 | O32 | H49 | 109.5° | 114.0° |
| C22 | C21 | O20 | 109.2° | 109.5° |
| C22 | C21 | H9 | 109.5° | 109.5° |
| C22 | C21 | H10 | 109.5° | 109.5° |
| C21 | C22 | H11 | 108.8° | 109.5° |
| C21 | O20 | C18 | 113.4° | 117.0° |
| O20 | C21 | H9 | 109.5° | 109.4° |
| O20 | C21 | H10 | 109.5° | 109.5° |
| C17 | C18 | O20 | 119.8° | 120.0° |
| C17 | C18 | O19 | 120.5° | 120.0° |
| C18 | C17 | H7 | 108.7° | 109.4° |
| C18 | C17 | H8 | 108.7° | 109.4° |
| O20 | C18 | O19 | 119.7° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.6° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.4° | 109.4° |
| H13 | C1 | H14 | 109.4° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H17 | C3 | H18 | 109.5° | 109.4° |
| H19 | C4 | H20 | 109.5° | 109.5° |
| H21 | C5 | H22 | 109.4° | 109.5° |
| H23 | C6 | H24 | 109.5° | 109.4° |
| H25 | C7 | H26 | 109.5° | 109.5° |
| H27 | C8 | H28 | 109.5° | 109.5° |
| H29 | C9 | H30 | 109.5° | 109.4° |
| H31 | C11 | H32 | 109.4° | 109.5° |
| H33 | C12 | H34 | 109.5° | 109.5° |
| H35 | C14 | H36 | 109.5° | 109.5° |
| H37 | C16 | H38 | 109.5° | 109.5° |
| H39 | C23 | H40 | 109.5° | 109.5° |
| H41 | C29 | H42 | 109.5° | 109.5° |
| H43 | C30 | H44 | 109.5° | 109.5° |
| H45 | N31 | H46 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H15 | 120.4° | 119.9° |
| C1 | C2 | C3 | H16 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 138.1° | 180.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | H15 | H16 | 118.6° | 120.0° |
| C1 | C2 | C3 | H17 | 17.7° | 60.0° |
| C1 | C2 | C3 | H18 | 101.5° | 59.9° |
| C2 | C3 | C4 | H17 | 120.4° | 120.0° |
| C2 | C3 | C4 | H18 | 120.4° | 120.1° |
| C2 | C3 | C4 | C5 | 147.2° | 180.0° |
| C3 | C2 | C1 | H12 | 180.0° | 60.0° |
| C3 | C2 | C1 | H13 | 60.0° | 180.0° |
| C3 | C2 | C1 | H14 | 60.0° | 60.0° |
| C3 | C2 | H15 | H16 | 118.7° | 120.1° |
| C2 | C3 | H17 | H18 | 118.8° | 120.1° |
| C2 | C3 | C4 | H19 | 92.4° | 60.0° |
| C2 | C3 | C4 | H20 | 26.8° | 60.0° |
| C3 | C4 | C5 | H19 | 120.4° | 120.0° |
| C3 | C4 | C5 | H20 | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 173.4° | 180.0° |
| C4 | C3 | C2 | H15 | 101.4° | 60.1° |
| C4 | C3 | C2 | H16 | 17.7° | 60.0° |
| C4 | C3 | H17 | H18 | 118.8° | 119.9° |
| C3 | C4 | H19 | H20 | 118.7° | 120.0° |
| C3 | C4 | C5 | H21 | 66.2° | 60.0° |
| C3 | C4 | C5 | H22 | 53.0° | 60.0° |
| C4 | C5 | C6 | H21 | 120.4° | 120.0° |
| C4 | C5 | C6 | H22 | 120.4° | 120.0° |
| C4 | C5 | C6 | C7 | 17.3° | 180.0° |
| C5 | C4 | C3 | H17 | 26.8° | 60.0° |
| C5 | C4 | C3 | H18 | 92.4° | 59.9° |
| C5 | C4 | H19 | H20 | 118.7° | 120.0° |
| C4 | C5 | H21 | H22 | 118.8° | 120.0° |
| C4 | C5 | C6 | H23 | 137.7° | 60.0° |
| C4 | C5 | C6 | H24 | 103.1° | 60.0° |
| C5 | C6 | C7 | H23 | 120.4° | 120.0° |
| C5 | C6 | C7 | H24 | 120.4° | 120.0° |
| C5 | C6 | C7 | C8 | 88.8° | 180.0° |
| C6 | C5 | C4 | H19 | 53.0° | 60.0° |
| C6 | C5 | C4 | H20 | 66.2° | 60.0° |
| C6 | C5 | H21 | H22 | 118.8° | 120.0° |
| C5 | C6 | H23 | H24 | 118.9° | 120.0° |
| C5 | C6 | C7 | H25 | 31.7° | 60.0° |
| C5 | C6 | C7 | H26 | 150.8° | 60.0° |
| N31 | C30 | C29 | H43 | 120.1° | 120.0° |
| N31 | C30 | C29 | H44 | 120.1° | 120.0° |
| N31 | C30 | C29 | O28 | 42.3° | 65.0° |
| N31 | C30 | C29 | H41 | 77.5° | 175.0° |
| N31 | C30 | C29 | H42 | 162.1° | 55.0° |
| N31 | C30 | H43 | H44 | 119.7° | 120.0° |
| C30 | N31 | H45 | H46 | 120.0° | 124.0° |
| C6 | C7 | C8 | H25 | 120.4° | 120.0° |
| C6 | C7 | C8 | H26 | 120.4° | 120.0° |
| C6 | C7 | C8 | C9 | 136.6° | 180.0° |
| C7 | C6 | C5 | H21 | 103.1° | 60.0° |
| C7 | C6 | C5 | H22 | 137.7° | 60.0° |
| C7 | C6 | H23 | H24 | 118.8° | 120.0° |
| C6 | C7 | H25 | H26 | 118.6° | 120.0° |
| C6 | C7 | C8 | H27 | 103.0° | 59.9° |
| C6 | C7 | C8 | H28 | 16.2° | 60.0° |
| C11 | C12 | C13 | H33 | 120.5° | 120.0° |
| C11 | C12 | C13 | H34 | 120.5° | 120.0° |
| C12 | C11 | C10 | H31 | 120.4° | 119.9° |
| C12 | C11 | C10 | H32 | 120.5° | 120.0° |
| C12 | C11 | C10 | C9 | 179.5° | 180.0° |
| C11 | C12 | C13 | C14 | 111.2° | 180.0° |
| C12 | C11 | C10 | H1 | 59.1° | 60.1° |
| C12 | C11 | C10 | H2 | 60.2° | 60.1° |
| C11 | C12 | C13 | H3 | 128.4° | 60.0° |
| C11 | C12 | C13 | H4 | 9.2° | 60.0° |
| C12 | C11 | H31 | H32 | 118.7° | 120.1° |
| C11 | C12 | H33 | H34 | 118.6° | 120.1° |
| C13 | C12 | C11 | C10 | 128.4° | 180.0° |
| C12 | C13 | C14 | H3 | 120.4° | 120.0° |
| C12 | C13 | C14 | H4 | 120.4° | 120.0° |
| C12 | C13 | C14 | C15 | 82.2° | 180.0° |
| C12 | C13 | H3 | H4 | 118.7° | 120.0° |
| C13 | C12 | C11 | H31 | 8.0° | 60.1° |
| C13 | C12 | C11 | H32 | 111.1° | 60.0° |
| C13 | C12 | H33 | H34 | 118.6° | 120.0° |
| C12 | C13 | C14 | H35 | 157.3° | 60.0° |
| C12 | C13 | C14 | H36 | 38.2° | 60.0° |
| C30 | C29 | O28 | P25 | 135.5° | 180.0° |
| C30 | C29 | O28 | H41 | 119.8° | 120.0° |
| C30 | C29 | O28 | H42 | 119.8° | 120.0° |
| C30 | C29 | H41 | H42 | 120.6° | 119.9° |
| C29 | C30 | H43 | H44 | 119.8° | 120.0° |
| C29 | C30 | N31 | H45 | 180.0° | 56.0° |
| C29 | C30 | N31 | H46 | 60.0° | 179.9° |
| C11 | C10 | C9 | H1 | 120.4° | 120.0° |
| C11 | C10 | C9 | H2 | 120.4° | 120.0° |
| C11 | C10 | C9 | C8 | 157.9° | 180.0° |
| C11 | C10 | H1 | H2 | 118.8° | 120.1° |
| C11 | C10 | C9 | H29 | 81.7° | 60.0° |
| C11 | C10 | C9 | H30 | 37.4° | 60.0° |
| C10 | C11 | H31 | H32 | 118.7° | 120.0° |
| C10 | C11 | C12 | H33 | 8.0° | 60.0° |
| C10 | C11 | C12 | H34 | 111.1° | 60.0° |
| C23 | O24 | P25 | O28 | 151.5° | 175.0° |
| C23 | O24 | P25 | O26 | 87.9° | 55.0° |
| O24 | C23 | C22 | H39 | 119.9° | 120.0° |
| O24 | C23 | C22 | H40 | 119.9° | 120.0° |
| C23 | O24 | P25 | O27 | 32.5° | 65.0° |
| O24 | C23 | C22 | O32 | 46.2° | 65.0° |
| O24 | C23 | C22 | C21 | 165.5° | 175.0° |
| O24 | C23 | C22 | H11 | 74.1° | 55.0° |
| O24 | C23 | H39 | H40 | 120.2° | 120.1° |
| O24 | P25 | O28 | O26 | 120.6° | 120.0° |
| O24 | P25 | O28 | O27 | 119.4° | 120.0° |
| O24 | P25 | O28 | C29 | 164.2° | 175.0° |
| O24 | P25 | O26 | O27 | 119.7° | 120.0° |
| P25 | O24 | C23 | C22 | 110.8° | 180.0° |
| P25 | O24 | C23 | H39 | 129.3° | 60.1° |
| P25 | O24 | C23 | H40 | 9.1° | 60.0° |
| O24 | P25 | O27 | H48 | 119.9° | 60.0° |
| O28 | P25 | O26 | O27 | 119.0° | 120.0° |
| P25 | O28 | C29 | H41 | 15.7° | 60.0° |
| P25 | O28 | C29 | H42 | 104.7° | 60.0° |
| O28 | P25 | O27 | H48 | 119.6° | 60.0° |
| C29 | O28 | P25 | O26 | 75.3° | 55.0° |
| C29 | O28 | P25 | O27 | 44.8° | 65.0° |
| O28 | C29 | H41 | H42 | 120.6° | 120.1° |
| O28 | C29 | C30 | H43 | 162.4° | 175.0° |
| O28 | C29 | C30 | H44 | 77.8° | 55.0° |
| C10 | C9 | C8 | C7 | 169.7° | 180.0° |
| C10 | C9 | C8 | H29 | 120.4° | 120.0° |
| C10 | C9 | C8 | H30 | 120.4° | 120.0° |
| C9 | C10 | H1 | H2 | 118.8° | 120.0° |
| C10 | C9 | C8 | H27 | 69.9° | 60.0° |
| C10 | C9 | C8 | H28 | 49.3° | 60.0° |
| C10 | C9 | H29 | H30 | 118.6° | 119.9° |
| C9 | C10 | C11 | H31 | 60.1° | 60.1° |
| C9 | C10 | C11 | H32 | 59.0° | 60.0° |
| C7 | C8 | C9 | H27 | 120.4° | 120.0° |
| C7 | C8 | C9 | H28 | 120.4° | 119.9° |
| C8 | C7 | C6 | H23 | 150.9° | 60.0° |
| C8 | C7 | C6 | H24 | 31.6° | 60.0° |
| C8 | C7 | H25 | H26 | 118.7° | 120.0° |
| C7 | C8 | H27 | H28 | 118.8° | 119.9° |
| C7 | C8 | C9 | H29 | 69.9° | 60.0° |
| C7 | C8 | C9 | H30 | 49.3° | 60.0° |
| C8 | C9 | C10 | H1 | 37.5° | 60.0° |
| C8 | C9 | C10 | H2 | 81.7° | 60.0° |
| C9 | C8 | C7 | H25 | 16.1° | 60.0° |
| C9 | C8 | C7 | H26 | 103.0° | 60.0° |
| C9 | C8 | H27 | H28 | 118.8° | 120.1° |
| C8 | C9 | H29 | H30 | 118.7° | 120.1° |
| C13 | C14 | C15 | C16 | 137.1° | 180.0° |
| C13 | C14 | C15 | H35 | 120.4° | 120.1° |
| C13 | C14 | C15 | H36 | 120.5° | 120.0° |
| C14 | C13 | H3 | H4 | 118.7° | 120.0° |
| C13 | C14 | C15 | H5 | 102.5° | 60.0° |
| C13 | C14 | C15 | H6 | 16.7° | 60.0° |
| C14 | C13 | C12 | H33 | 9.2° | 60.0° |
| C14 | C13 | C12 | H34 | 128.3° | 60.0° |
| C13 | C14 | H35 | H36 | 118.6° | 120.0° |
| O26 | P25 | O27 | H48 | 0.0° | 180.0° |
| C16 | C15 | C14 | H5 | 120.4° | 120.0° |
| C16 | C15 | C14 | H6 | 120.4° | 120.0° |
| C15 | C16 | C17 | H37 | 120.5° | 120.0° |
| C15 | C16 | C17 | H38 | 120.5° | 120.0° |
| C15 | C16 | C17 | C18 | 177.7° | 180.0° |
| C16 | C15 | H5 | H6 | 118.7° | 120.0° |
| C15 | C16 | C17 | H7 | 61.9° | 60.0° |
| C15 | C16 | C17 | H8 | 57.2° | 60.0° |
| C16 | C15 | C14 | H35 | 102.5° | 60.0° |
| C16 | C15 | C14 | H36 | 16.6° | 60.0° |
| C15 | C16 | H37 | H38 | 118.5° | 119.9° |
| C14 | C15 | C16 | C17 | 60.9° | 180.0° |
| C15 | C14 | C13 | H3 | 38.2° | 60.0° |
| C15 | C14 | C13 | H4 | 157.3° | 60.0° |
| C14 | C15 | H5 | H6 | 118.7° | 120.0° |
| C15 | C14 | H35 | H36 | 118.6° | 120.0° |
| C14 | C15 | C16 | H37 | 59.6° | 60.0° |
| C14 | C15 | C16 | H38 | 178.6° | 60.0° |
| C23 | C22 | O32 | C21 | 121.8° | 120.0° |
| C23 | C22 | O32 | H11 | 119.2° | 120.0° |
| C23 | C22 | C21 | H11 | 120.5° | 120.0° |
| C23 | C22 | C21 | O20 | 166.0° | 175.0° |
| C23 | C22 | C21 | H9 | 74.1° | 55.1° |
| C23 | C22 | C21 | H10 | 46.0° | 65.0° |
| C22 | C23 | H39 | H40 | 120.2° | 120.0° |
| C23 | C22 | O32 | H49 | 180.0° | 60.0° |
| C16 | C17 | C18 | H7 | 120.4° | 120.0° |
| C16 | C17 | C18 | H8 | 120.4° | 120.0° |
| C16 | C17 | C18 | O20 | 57.3° | 180.0° |
| C16 | C17 | C18 | O19 | 122.5° | 0.0° |
| C17 | C16 | C15 | H5 | 59.5° | 60.0° |
| C17 | C16 | C15 | H6 | 178.7° | 60.0° |
| C16 | C17 | H7 | H8 | 118.6° | 120.1° |
| C17 | C16 | H37 | H38 | 118.5° | 120.1° |
| O32 | C22 | C21 | H11 | 120.1° | 120.0° |
| O32 | C22 | C21 | O20 | 46.5° | 65.1° |
| O32 | C22 | C21 | H9 | 166.5° | 175.0° |
| O32 | C22 | C21 | H10 | 73.4° | 55.0° |
| O32 | C22 | C23 | H39 | 166.1° | 55.0° |
| O32 | C22 | C23 | H40 | 73.7° | 175.0° |
| C22 | C21 | O20 | H9 | 120.0° | 119.9° |
| C22 | C21 | O20 | H10 | 119.9° | 120.0° |
| C22 | C21 | O20 | C18 | 143.5° | 180.0° |
| C22 | C21 | H9 | H10 | 120.1° | 120.0° |
| C21 | C22 | C23 | H39 | 74.6° | 65.0° |
| C21 | C22 | C23 | H40 | 45.5° | 55.0° |
| C21 | C22 | O32 | H49 | 58.2° | 60.0° |
| C21 | O20 | C18 | C17 | 7.1° | 180.0° |
| C21 | O20 | C18 | O19 | 173.0° | 0.1° |
| O20 | C21 | H9 | H10 | 120.1° | 120.0° |
| O20 | C21 | C22 | H11 | 73.6° | 55.0° |
| C17 | C18 | O20 | O19 | 179.9° | 179.9° |
| C18 | C17 | H7 | H8 | 118.7° | 119.9° |
| C18 | C17 | C16 | H37 | 57.2° | 60.0° |
| C18 | C17 | C16 | H38 | 61.8° | 60.0° |
| O20 | C18 | C17 | H7 | 177.8° | 60.0° |
| O20 | C18 | C17 | H8 | 63.1° | 60.0° |
| C18 | O20 | C21 | H9 | 23.5° | 60.1° |
| C18 | O20 | C21 | H10 | 96.6° | 60.0° |
| O19 | C18 | C17 | H7 | 2.1° | 120.0° |
| O19 | C18 | C17 | H8 | 117.0° | 120.0° |
| H1 | C10 | C9 | H29 | 157.9° | 60.0° |
| H1 | C10 | C9 | H30 | 83.0° | 180.0° |
| H1 | C10 | C11 | H31 | 179.5° | 180.0° |
| H1 | C10 | C11 | H32 | 61.4° | 59.9° |
| H2 | C10 | C9 | H29 | 38.7° | 179.9° |
| H2 | C10 | C9 | H30 | 157.8° | 60.0° |
| H2 | C10 | C11 | H31 | 60.3° | 59.9° |
| H2 | C10 | C11 | H32 | 179.4° | 179.9° |
| H3 | C13 | C12 | H33 | 111.2° | 60.0° |
| H3 | C13 | C12 | H34 | 7.9° | 180.0° |
| H3 | C13 | C14 | H35 | 82.3° | 180.0° |
| H3 | C13 | C14 | H36 | 158.6° | 60.0° |
| H4 | C13 | C12 | H33 | 129.7° | 180.0° |
| H4 | C13 | C12 | H34 | 111.2° | 60.0° |
| H4 | C13 | C14 | H35 | 36.9° | 60.0° |
| H4 | C13 | C14 | H36 | 82.2° | 180.0° |
| H5 | C15 | C14 | H35 | 18.0° | 180.0° |
| H5 | C15 | C14 | H36 | 137.0° | 60.0° |
| H5 | C15 | C16 | H37 | 180.0° | 180.0° |
| H5 | C15 | C16 | H38 | 61.0° | 60.0° |
| H6 | C15 | C14 | H35 | 137.1° | 60.0° |
| H6 | C15 | C14 | H36 | 103.8° | 180.0° |
| H6 | C15 | C16 | H37 | 60.8° | 60.1° |
| H6 | C15 | C16 | H38 | 58.2° | 180.0° |
| H7 | C17 | C16 | H37 | 177.6° | NaN° |
| H7 | C17 | C16 | H38 | 58.6° | 59.9° |
| H8 | C17 | C16 | H37 | 63.2° | 59.9° |
| H8 | C17 | C16 | H38 | 177.7° | 180.0° |
| H9 | C21 | C22 | H11 | 46.4° | 64.9° |
| H10 | C21 | C22 | H11 | 166.5° | 175.0° |
| H11 | C22 | C23 | H39 | 45.8° | 175.0° |
| H11 | C22 | C23 | H40 | 166.0° | 65.0° |
| H11 | C22 | O32 | H49 | 60.8° | 180.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H12 | C1 | C2 | H15 | 59.6° | 180.0° |
| H12 | C1 | C2 | H16 | 59.5° | 60.0° |
| H13 | C1 | C2 | H15 | 60.5° | 60.1° |
| H13 | C1 | C2 | H16 | 179.6° | 60.0° |
| H14 | C1 | C2 | H15 | 179.6° | 60.0° |
| H14 | C1 | C2 | H16 | 60.5° | 180.0° |
| H15 | C2 | C3 | H17 | 138.2° | 180.0° |
| H15 | C2 | C3 | H18 | 18.9° | 60.0° |
| H16 | C2 | C3 | H17 | 102.7° | 59.9° |
| H16 | C2 | C3 | H18 | 138.1° | 179.9° |
| H17 | C3 | C4 | H19 | 147.2° | 180.0° |
| H17 | C3 | C4 | H20 | 93.6° | 60.0° |
| H18 | C3 | C4 | H19 | 28.0° | 60.1° |
| H18 | C3 | C4 | H20 | 147.2° | 179.9° |
| H19 | C4 | C5 | H21 | 173.4° | 180.0° |
| H19 | C4 | C5 | H22 | 67.4° | 60.0° |
| H20 | C4 | C5 | H21 | 54.2° | 60.0° |
| H20 | C4 | C5 | H22 | 173.4° | 180.0° |
| H21 | C5 | C6 | H23 | 17.3° | NaN° |
| H21 | C5 | C6 | H24 | 136.5° | 60.0° |
| H22 | C5 | C6 | H23 | 101.9° | 60.0° |
| H22 | C5 | C6 | H24 | 17.3° | 180.0° |
| H23 | C6 | C7 | H25 | 88.7° | 180.0° |
| H23 | C6 | C7 | H26 | 30.4° | 60.0° |
| H24 | C6 | C7 | H25 | 152.1° | 60.1° |
| H24 | C6 | C7 | H26 | 88.8° | 180.0° |
| H25 | C7 | C8 | H27 | 136.5° | 180.0° |
| H25 | C7 | C8 | H28 | 104.2° | 60.0° |
| H26 | C7 | C8 | H27 | 17.4° | 60.0° |
| H26 | C7 | C8 | H28 | 136.6° | 180.0° |
| H27 | C8 | C9 | H29 | 50.5° | 60.0° |
| H27 | C8 | C9 | H30 | 169.7° | 180.0° |
| H28 | C8 | C9 | H29 | 169.7° | 180.0° |
| H28 | C8 | C9 | H30 | 71.1° | 59.9° |
| H31 | C11 | C12 | H33 | 112.5° | 59.9° |
| H31 | C11 | C12 | H34 | 128.5° | 180.0° |
| H32 | C11 | C12 | H33 | 128.4° | 180.0° |
| H32 | C11 | C12 | H34 | 9.3° | 60.0° |
| H41 | C29 | C30 | H43 | 42.6° | 55.0° |
| H41 | C29 | C30 | H44 | 162.5° | 65.1° |
| H42 | C29 | C30 | H43 | 77.8° | 65.0° |
| H42 | C29 | C30 | H44 | 42.0° | 175.0° |
| H43 | C30 | N31 | H45 | 60.0° | 64.0° |
| H43 | C30 | N31 | H46 | 60.1° | 60.0° |
| H44 | C30 | N31 | H45 | 59.9° | 176.0° |
| H44 | C30 | N31 | H46 | 179.9° | 60.0° |
